make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0321' /projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0321.t06.str2 mkdir -p decoys rm decoys/read-pdb+servers.under cd decoys; shopt -s nullglob ; for x in ../*.ts-submitted* ; do echo ReadConformPDB $x >> read-pdb+servers.under ; done cd decoys; shopt -s nullglob ; for x in *.pdb* ; do echo ReadConformPDB $x >> read-pdb+servers.under ; done cd decoys; shopt -s nullglob ; for x in ../*mer/decoys/*.pdb* ; \ do echo ReadConformPDB $x chain A >> read-pdb+servers.under ; \ y=${x#../} ;\ z=${y/decoys} ;\ a=${z/T0321.} ;\ b=${a%.gz} ;\ c=${b%.pdb} ;\ echo NameConform $c >> read-pdb+servers.under ; \ done cd decoys; shopt -s nullglob ; for x in servers/*.pdb.gz ; do \ echo ReadConformPDB $x >> read-pdb+servers.under ; \ y=${x%.pdb.gz} ; \ z=${y#servers/} ; \ echo NameConform $z >> read-pdb+servers.under ; \ echo SCWRLConform >> read-pdb+servers.under ; \ echo NameConform $z-scwrl >> read-pdb+servers.under ; \ done chgrp protein decoys/read-pdb+servers.under chmod g+w decoys/read-pdb+servers.under rm -f decoys/evaluate.anglevector.rdb sed -e s/XXX0000/T0321/ -e s/START_COL/1/ \ -e s/COSTFCN/anglevector/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2h1qA/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1182948765 # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/atoms-inputs/ # command:# reading monomeric-50pc.atoms # #computed average backbone with maximum peptide_sq_deviance = 0.002 # computed average trans backbone unit from 8101 examples # computed average cis backbone unit from 20 examples # computed average trans backbone unit before proline from 332 examples # trans (non-proline) backbone unit: # CA= -2.2101 1.0129 -0.0033 # O= -0.1508 2.2440 0.0016 # C= -0.6897 1.1364 -0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4583 -0.0000 -0.0000 # cis backbone unit: # CA= -0.1438 2.4522 0.0007 # O= -2.0283 0.9702 0.0005 # C= -0.8017 1.0759 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4664 -0.0000 0.0000 # trans backbone unit before proline: # CA= -2.2110 1.0636 -0.0014 # O= -0.1234 2.2469 0.0075 # C= -0.6877 1.1518 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4665 0.0000 0.0000 # After reading monomeric-50pc.atoms have 448 chains in training database # Count of chains,residues,atoms: 448,112605,876684 # 111048 residues have no bad marker # 665 residues lack atoms needed to compute omega # 322 residues have cis peptide # number of each bad type: # NON_STANDARD_RESIDUE 6 # HAS_OXT 325 # TOO_MANY_ATOMS 1 # TOO_FEW_ATOMS 523 # HAS_UNKNOWN_ATOMS 2 # HAS_DUPLICATE_ATOMS 0 # CHAIN_BREAK_BEFORE 208 # NON_PLANAR_PEPTIDE 143 # BAD_PEPTIDE 685 # Note: may sum to more than number of residues, # because one residue may have multiple problems # command:# Reading rotamer library from dunbrack-1332.rot # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # command:# ReadAtomType exp-pdb.types Read AtomType exp-pdb with 49 types. # command:# ReadClashTable exp-pdb-2191-2symm.clash # Read ClashTable exp-pdb-2191-2symm checking bonds symmetric at MaxSep 2 # command:# command:CPU_time= 6.763 sec, elapsed time= 6.899 sec. # command:# Reading spots from monomeric-50pc-dry-5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-5.hist # created burial cost function dry5 with radius 5.000 with spots at monomeric-50pc-dry-5.spot # command:# Reading spots from monomeric-50pc-wet-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-wet-6.5.hist # created burial cost function wet6.5 with radius 6.500 with spots at monomeric-50pc-wet-6.5.spot # command:# Reading spots from monomeric-50pc-dry-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-6.5.hist # created burial cost function dry6.5 with radius 6.500 with spots at monomeric-50pc-dry-6.5.spot # command:# Reading spots from monomeric-50pc-generic-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-generic-6.5.hist # created burial cost function gen6.5 with radius 6.500 with spots at monomeric-50pc-generic-6.5.spot # command:# Reading spots from near-backbone-center.spot # reading histogram from smoothed-near-backbone-2spot.hist # Reading spots from near-backbone-count.spot # created burial cost function near_backbone with radius 9.650 with spots at near-backbone-center.spot counting only near-backbone-count.spot # command:# Reading spots from way-back-center.spot # reading histogram from smoothed-way-back-2spot.hist # Reading spots from way-back-count.spot # created burial cost function way_back with radius 8.900 with spots at way-back-center.spot counting only way-back-count.spot # command:# Reading spots from monomeric-50pc-dry-8.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-8.hist # created burial cost function dry8 with radius 8.000 with spots at monomeric-50pc-dry-8.spot # command:# Reading spots from monomeric-50pc-dry-10.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-10.hist # created burial cost function dry10 with radius 10.000 with spots at monomeric-50pc-dry-10.spot # command:# Reading spots from monomeric-50pc-dry-12.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-12.hist # created burial cost function dry12 with radius 12.000 with spots at monomeric-50pc-dry-12.spot # command:# reading histogram from dunbrack-2191-alpha.hist # created alpha cost function alpha with offset 0 and 360 bins # command:# reading histogram from dunbrack-2191-alpha-1.hist # created alpha cost function alpha_prev with offset -1 and 360 bins # command:# Prefix for input files set to /projects/compbio/lib/alphabet/ # command:# Read 3 alphabets from alpha.alphabet # command:CPU_time= 6.848 sec, elapsed time= 7.048 sec. # command:# Prefix for input files set to # command:# Making conformation for sequence T0321 numbered 1 through 251 Created new target T0321 from T0321.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2h1qA expands to /projects/compbio/data/pdb/2h1q.pdb.gz 2h1qA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 203, because occupancy 0.5 <= existing 0.500 in 2h1qA Skipped atom 207, because occupancy 0.500 <= existing 0.500 in 2h1qA Skipped atom 209, because occupancy 0.500 <= existing 0.500 in 2h1qA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 579, because occupancy 0.500 <= existing 0.500 in 2h1qA Skipped atom 583, because occupancy 0.500 <= existing 0.500 in 2h1qA Skipped atom 585, because occupancy 0.500 <= existing 0.500 in 2h1qA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1615, because occupancy 0.500 <= existing 0.500 in 2h1qA Skipped atom 1619, because occupancy 0.500 <= existing 0.500 in 2h1qA Skipped atom 1621, because occupancy 0.500 <= existing 0.500 in 2h1qA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Read 247 residues and 1858 atoms. # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # command:# Saving current conformation as real # command:# Prefix for output files set to decoys/ # command:# SetRealCost created real_cost = # ( 50.000 * real_hbond + 50.000 * real_hbond_u + 50.000 * decoy_hbond + 50.000 * decoy_hbond_u + 10.000 * real_NO_hbond + 10.000 * real_NO_hbond_u + 10.000 * decoy_NO_hbond + 10.000 * decoy_NO_hbond_u + 10.000 * knot + 200.000 * clens + 0.000 * rmsd + 35.000 * log_rmsd + 0.000 * rmsd_ca + 30.000 * log_rmsd_ca + 1.000 * GDT + 1.000 * smooth_GDT + 0.200 * missing_atoms ) # command:# SetCost created cost = # ) # command:# reading script from file anglevector.costfcn # Prefix for input files set to /projects/compbio/lib/alphabet/ # Read 2 alphabets from anglevector.alphabet # Prefix for input files set to # CreateCombinedNNet created CombinedNNet bys_t2k # CreateCombinedNNet created CombinedNNet bys_t04 # CreateCombinedNNet created CombinedNNet bys_t06 # CreateCombinedNNet created CombinedNNet bys_mean # created predicted AngleVectorPredCostFcn pred_bys_t2k # created predicted AngleVectorPredCostFcn pred_bys_t04 # created predicted AngleVectorPredCostFcn pred_bys_t06 # created predicted AngleVectorPredCostFcn pred_bys_mean # CreateCombinedNNet created CombinedNNet pb_t2k # CreateCombinedNNet created CombinedNNet pb_t04 # CreateCombinedNNet created CombinedNNet pb_t06 # CreateCombinedNNet created CombinedNNet pb_mean # created predicted AngleVectorPredCostFcn pred_pb_t2k # created predicted AngleVectorPredCostFcn pred_pb_t04 # created predicted AngleVectorPredCostFcn pred_pb_t06 # created predicted AngleVectorPredCostFcn pred_pb_mean # SetCost created cost = # ( 5.000 * bystroff + 5.000 * pred_bys_t2k + 5.000 * pred_bys_t04 + 5.000 * pred_bys_t06 + 5.000 * pred_bys_mean + 5.000 * pred_pb_t2k + 5.000 * pred_pb_t04 + 5.000 * pred_pb_t06 + 5.000 * pred_pb_mean ) # command:CPU_time= 9.862 sec, elapsed time= 10.439 sec. # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file model1.ts-submitted looking for model 1 # choosing archetypes in rotamer library # Found a chain break before 249 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -21.926 # GDT_score(maxd=8.000,maxw=2.900)= -21.723 # GDT_score(maxd=8.000,maxw=3.200)= -20.410 # GDT_score(maxd=8.000,maxw=3.500)= -19.217 # GDT_score(maxd=10.000,maxw=3.800)= -21.104 # GDT_score(maxd=10.000,maxw=4.000)= -20.338 # GDT_score(maxd=10.000,maxw=4.200)= -19.633 # GDT_score(maxd=12.000,maxw=4.300)= -21.603 # GDT_score(maxd=12.000,maxw=4.500)= -20.881 # GDT_score(maxd=12.000,maxw=4.700)= -20.173 # GDT_score(maxd=14.000,maxw=5.200)= -20.425 # GDT_score(maxd=14.000,maxw=5.500)= -19.503 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0321.model1-real.pdb for output Error: Couldn't open file T0321.model1-real.pdb for output superimposing iter= 0 total_weight= 2815.000 rmsd (weighted)= 18.798 (unweighted)= 30.019 superimposing iter= 1 total_weight= 4208.562 rmsd (weighted)= 12.114 (unweighted)= 29.757 superimposing iter= 2 total_weight= 2283.250 rmsd (weighted)= 10.799 (unweighted)= 29.718 superimposing iter= 3 total_weight= 1929.349 rmsd (weighted)= 10.505 (unweighted)= 29.721 superimposing iter= 4 total_weight= 1866.914 rmsd (weighted)= 10.396 (unweighted)= 29.732 superimposing iter= 5 total_weight= 1854.204 rmsd (weighted)= 10.326 (unweighted)= 29.742 EXPDTA model1.ts-submitted MODEL 1 REMARK 44 REMARK 44 model 1 is called model1.ts-submitted ATOM 1 N MET A 1 -5.349 34.726 60.622 1.00 0.00 ATOM 2 CA MET A 1 -6.313 35.606 59.972 1.00 0.00 ATOM 3 CB MET A 1 -6.878 36.528 61.061 1.00 0.00 ATOM 4 CG MET A 1 -6.318 36.232 62.464 1.00 0.00 ATOM 5 SD MET A 1 -6.244 37.657 63.554 1.00 0.00 ATOM 6 CE MET A 1 -7.769 37.343 64.386 1.00 0.00 ATOM 7 O MET A 1 -6.157 37.173 58.170 1.00 0.00 ATOM 8 C MET A 1 -5.561 36.351 58.869 1.00 0.00 ATOM 9 N TRP A 2 -4.237 36.050 58.649 1.00 0.00 ATOM 10 CA TRP A 2 -3.448 36.729 57.634 1.00 0.00 ATOM 11 CB TRP A 2 -1.971 36.254 57.852 1.00 0.00 ATOM 12 CG TRP A 2 -0.915 37.204 57.330 1.00 0.00 ATOM 13 CD1 TRP A 2 0.022 36.944 56.367 1.00 0.00 ATOM 14 CD2 TRP A 2 -0.657 38.539 57.789 1.00 0.00 ATOM 15 CE2 TRP A 2 0.457 39.022 57.066 1.00 0.00 ATOM 16 CE3 TRP A 2 -1.259 39.371 58.744 1.00 0.00 ATOM 17 NE1 TRP A 2 0.850 38.030 56.207 1.00 0.00 ATOM 18 CZ2 TRP A 2 0.987 40.305 57.267 1.00 0.00 ATOM 19 CZ3 TRP A 2 -0.732 40.653 58.945 1.00 0.00 ATOM 20 CH2 TRP A 2 0.382 41.104 58.209 1.00 0.00 ATOM 21 O TRP A 2 -4.002 37.258 55.385 1.00 0.00 ATOM 22 C TRP A 2 -3.908 36.381 56.233 1.00 0.00 ATOM 23 N GLU A 3 -4.201 35.091 55.987 1.00 0.00 ATOM 24 CA GLU A 3 -4.663 34.655 54.667 1.00 0.00 ATOM 25 CB GLU A 3 -4.706 33.129 54.620 1.00 0.00 ATOM 26 CG GLU A 3 -5.187 32.574 53.274 1.00 0.00 ATOM 27 CD GLU A 3 -5.181 31.055 53.317 1.00 0.00 ATOM 28 OE1 GLU A 3 -5.918 30.480 54.149 1.00 0.00 ATOM 29 OE2 GLU A 3 -4.505 30.451 52.470 1.00 0.00 ATOM 30 O GLU A 3 -6.212 35.725 53.164 1.00 0.00 ATOM 31 C GLU A 3 -5.995 35.302 54.319 1.00 0.00 ATOM 32 N ILE A 4 -6.912 35.436 55.278 1.00 0.00 ATOM 33 CA ILE A 4 -8.164 36.129 55.032 1.00 0.00 ATOM 34 CB ILE A 4 -9.152 35.870 56.183 1.00 0.00 ATOM 35 CG1 ILE A 4 -9.689 34.443 56.012 1.00 0.00 ATOM 36 CG2 ILE A 4 -10.333 36.862 56.213 1.00 0.00 ATOM 37 CD1 ILE A 4 -10.309 33.876 57.286 1.00 0.00 ATOM 38 O ILE A 4 -8.473 38.206 53.847 1.00 0.00 ATOM 39 C ILE A 4 -7.885 37.614 54.758 1.00 0.00 ATOM 40 N TYR A 5 -6.970 38.235 55.525 1.00 0.00 ATOM 41 CA TYR A 5 -6.665 39.648 55.301 1.00 0.00 ATOM 42 CB TYR A 5 -5.669 40.132 56.358 1.00 0.00 ATOM 43 CG TYR A 5 -6.203 40.101 57.795 1.00 0.00 ATOM 44 CD1 TYR A 5 -7.558 40.031 58.064 1.00 0.00 ATOM 45 CD2 TYR A 5 -5.335 40.177 58.868 1.00 0.00 ATOM 46 CE1 TYR A 5 -8.079 40.056 59.339 1.00 0.00 ATOM 47 CE2 TYR A 5 -5.831 40.202 60.164 1.00 0.00 ATOM 48 CZ TYR A 5 -7.209 40.143 60.403 1.00 0.00 ATOM 49 OH TYR A 5 -7.670 40.049 61.671 1.00 0.00 ATOM 50 O TYR A 5 -6.407 40.813 53.197 1.00 0.00 ATOM 51 C TYR A 5 -6.108 39.831 53.882 1.00 0.00 ATOM 52 N ASP A 6 -5.260 38.905 53.484 1.00 0.00 ATOM 53 CA ASP A 6 -4.647 38.946 52.158 1.00 0.00 ATOM 54 CB ASP A 6 -3.577 37.849 52.093 1.00 0.00 ATOM 55 CG ASP A 6 -2.334 38.142 52.921 1.00 0.00 ATOM 56 OD1 ASP A 6 -2.106 39.314 53.269 1.00 0.00 ATOM 57 OD2 ASP A 6 -1.568 37.187 53.171 1.00 0.00 ATOM 58 O ASP A 6 -5.789 39.549 50.138 1.00 0.00 ATOM 59 C ASP A 6 -5.733 38.779 51.097 1.00 0.00 ATOM 60 N ALA A 7 -6.571 37.753 51.231 1.00 0.00 ATOM 61 CA ALA A 7 -7.656 37.490 50.282 1.00 0.00 ATOM 62 CB ALA A 7 -8.455 36.260 50.708 1.00 0.00 ATOM 63 O ALA A 7 -9.083 39.031 49.133 1.00 0.00 ATOM 64 C ALA A 7 -8.602 38.688 50.207 1.00 0.00 ATOM 65 N MET A 8 -8.875 39.316 51.351 1.00 0.00 ATOM 66 CA MET A 8 -9.777 40.472 51.371 1.00 0.00 ATOM 67 CB MET A 8 -10.130 40.831 52.823 1.00 0.00 ATOM 68 CG MET A 8 -11.023 39.809 53.501 1.00 0.00 ATOM 69 SD MET A 8 -12.495 39.431 52.528 1.00 0.00 ATOM 70 CE MET A 8 -11.917 38.006 51.589 1.00 0.00 ATOM 71 O MET A 8 -9.974 42.359 49.935 1.00 0.00 ATOM 72 C MET A 8 -9.214 41.661 50.599 1.00 0.00 ATOM 73 N ILE A 9 -7.910 41.830 50.683 1.00 0.00 ATOM 74 CA ILE A 9 -7.261 42.936 49.965 1.00 0.00 ATOM 75 CB ILE A 9 -5.846 43.063 50.482 1.00 0.00 ATOM 76 CG1 ILE A 9 -6.072 43.554 51.887 1.00 0.00 ATOM 77 CG2 ILE A 9 -5.089 44.126 49.705 1.00 0.00 ATOM 78 CD1 ILE A 9 -4.808 43.461 52.665 1.00 0.00 ATOM 79 O ILE A 9 -7.023 43.641 47.678 1.00 0.00 ATOM 80 C ILE A 9 -7.166 42.696 48.460 1.00 0.00 ATOM 81 N ASN A 10 -7.312 41.401 48.041 1.00 0.00 ATOM 82 CA ASN A 10 -7.242 41.046 46.630 1.00 0.00 ATOM 83 CB ASN A 10 -8.537 41.539 45.970 1.00 0.00 ATOM 84 CG ASN A 10 -9.746 40.891 46.599 1.00 0.00 ATOM 85 ND2 ASN A 10 -10.639 41.716 47.092 1.00 0.00 ATOM 86 OD1 ASN A 10 -9.916 39.686 46.610 1.00 0.00 ATOM 87 O ASN A 10 -6.123 42.167 44.847 1.00 0.00 ATOM 88 C ASN A 10 -6.012 41.661 45.955 1.00 0.00 ATOM 89 N GLY A 11 -4.865 41.621 46.559 1.00 0.00 ATOM 90 CA GLY A 11 -3.675 42.194 45.948 1.00 0.00 ATOM 91 O GLY A 11 -2.710 40.128 46.658 1.00 0.00 ATOM 92 C GLY A 11 -2.532 41.204 46.079 1.00 0.00 ATOM 93 N ILE A 12 -1.332 41.677 45.544 1.00 0.00 ATOM 94 CA ILE A 12 -0.111 40.892 45.733 1.00 0.00 ATOM 95 CB ILE A 12 0.862 41.066 44.545 1.00 0.00 ATOM 96 CG1 ILE A 12 0.209 40.482 43.290 1.00 0.00 ATOM 97 CG2 ILE A 12 2.233 40.390 44.792 1.00 0.00 ATOM 98 CD1 ILE A 12 1.034 40.626 42.009 1.00 0.00 ATOM 99 O ILE A 12 0.473 42.614 47.282 1.00 0.00 ATOM 100 C ILE A 12 0.479 41.404 47.056 1.00 0.00 ATOM 101 N PRO A 13 0.993 40.495 47.888 1.00 0.00 ATOM 102 CA PRO A 13 1.594 40.818 49.196 1.00 0.00 ATOM 103 CB PRO A 13 2.474 39.622 49.494 1.00 0.00 ATOM 104 CG PRO A 13 1.733 38.439 48.865 1.00 0.00 ATOM 105 CD PRO A 13 1.121 39.051 47.614 1.00 0.00 ATOM 106 O PRO A 13 2.584 42.822 50.076 1.00 0.00 ATOM 107 C PRO A 13 2.520 42.036 49.135 1.00 0.00 ATOM 108 N GLU A 14 3.245 42.198 47.992 1.00 0.00 ATOM 109 CA GLU A 14 4.175 43.309 47.821 1.00 0.00 ATOM 110 CB GLU A 14 4.907 43.133 46.501 1.00 0.00 ATOM 111 CG GLU A 14 5.920 41.980 46.534 1.00 0.00 ATOM 112 CD GLU A 14 6.740 41.894 45.250 1.00 0.00 ATOM 113 OE1 GLU A 14 6.447 42.657 44.304 1.00 0.00 ATOM 114 OE2 GLU A 14 7.678 41.071 45.226 1.00 0.00 ATOM 115 O GLU A 14 4.152 45.679 48.170 1.00 0.00 ATOM 116 C GLU A 14 3.517 44.695 47.809 1.00 0.00 ATOM 117 N ASP A 15 2.261 44.736 47.396 1.00 0.00 ATOM 118 CA ASP A 15 1.518 46.004 47.280 1.00 0.00 ATOM 119 CB ASP A 15 0.541 45.912 46.114 1.00 0.00 ATOM 120 CG ASP A 15 1.255 45.742 44.771 1.00 0.00 ATOM 121 OD1 ASP A 15 2.209 46.512 44.514 1.00 0.00 ATOM 122 OD2 ASP A 15 0.780 44.850 44.030 1.00 0.00 ATOM 123 O ASP A 15 0.245 47.526 48.646 1.00 0.00 ATOM 124 C ASP A 15 0.784 46.421 48.550 1.00 0.00 ATOM 125 N PHE A 16 0.764 45.476 49.528 1.00 0.00 ATOM 126 CA PHE A 16 0.036 45.695 50.793 1.00 0.00 ATOM 127 CB PHE A 16 0.066 44.390 51.572 1.00 0.00 ATOM 128 CG PHE A 16 -0.769 43.276 50.912 1.00 0.00 ATOM 129 CD1 PHE A 16 -1.607 43.540 49.849 1.00 0.00 ATOM 130 CD2 PHE A 16 -0.721 41.987 51.422 1.00 0.00 ATOM 131 CE1 PHE A 16 -2.355 42.533 49.292 1.00 0.00 ATOM 132 CE2 PHE A 16 -1.534 40.987 50.893 1.00 0.00 ATOM 133 CZ PHE A 16 -2.353 41.256 49.821 1.00 0.00 ATOM 134 O PHE A 16 1.864 46.967 51.688 1.00 0.00 ATOM 135 C PHE A 16 0.641 46.829 51.611 1.00 0.00 ATOM 136 N LEU A 17 -0.220 47.651 52.183 1.00 0.00 ATOM 137 CA LEU A 17 0.235 48.768 53.000 1.00 0.00 ATOM 138 CB LEU A 17 -0.059 50.129 52.364 1.00 0.00 ATOM 139 CG LEU A 17 0.597 50.281 50.983 1.00 0.00 ATOM 140 CD1 LEU A 17 0.107 51.564 50.342 1.00 0.00 ATOM 141 CD2 LEU A 17 2.125 50.327 51.038 1.00 0.00 ATOM 142 O LEU A 17 -1.397 48.069 54.648 1.00 0.00 ATOM 143 C LEU A 17 -0.367 48.678 54.406 1.00 0.00 ATOM 144 N VAL A 18 0.426 49.210 55.331 1.00 0.00 ATOM 145 CA VAL A 18 -0.001 49.337 56.732 1.00 0.00 ATOM 146 CB VAL A 18 1.122 48.975 57.727 1.00 0.00 ATOM 147 CG1 VAL A 18 0.665 49.119 59.182 1.00 0.00 ATOM 148 CG2 VAL A 18 1.538 47.527 57.497 1.00 0.00 ATOM 149 O VAL A 18 0.257 51.694 56.580 1.00 0.00 ATOM 150 C VAL A 18 -0.450 50.773 56.974 1.00 0.00 ATOM 151 N ASP A 19 -1.645 50.901 57.471 1.00 0.00 ATOM 152 CA ASP A 19 -2.200 52.223 57.755 1.00 0.00 ATOM 153 CB ASP A 19 -3.723 52.145 57.778 1.00 0.00 ATOM 154 CG ASP A 19 -4.369 53.493 58.071 1.00 0.00 ATOM 155 OD1 ASP A 19 -3.807 54.269 58.873 1.00 0.00 ATOM 156 OD2 ASP A 19 -5.452 53.769 57.509 1.00 0.00 ATOM 157 O ASP A 19 -2.052 51.729 60.104 1.00 0.00 ATOM 158 C ASP A 19 -1.909 52.572 59.223 1.00 0.00 ATOM 159 N GLU A 20 -1.470 53.796 59.440 1.00 0.00 ATOM 160 CA GLU A 20 -1.245 54.281 60.817 1.00 0.00 ATOM 161 CB GLU A 20 0.179 54.815 60.982 1.00 0.00 ATOM 162 CG GLU A 20 1.296 53.806 60.713 1.00 0.00 ATOM 163 CD GLU A 20 2.692 54.387 60.953 1.00 0.00 ATOM 164 OE1 GLU A 20 2.806 55.604 61.251 1.00 0.00 ATOM 165 OE2 GLU A 20 3.656 53.586 60.858 1.00 0.00 ATOM 166 O GLU A 20 -2.488 56.298 60.371 1.00 0.00 ATOM 167 C GLU A 20 -2.265 55.372 61.162 1.00 0.00 ATOM 168 N LEU A 21 -2.795 55.312 62.380 1.00 0.00 ATOM 169 CA LEU A 21 -3.840 56.254 62.836 1.00 0.00 ATOM 170 CB LEU A 21 -5.213 55.595 62.836 1.00 0.00 ATOM 171 CG LEU A 21 -5.693 55.123 61.474 1.00 0.00 ATOM 172 CD1 LEU A 21 -6.965 54.326 61.707 1.00 0.00 ATOM 173 CD2 LEU A 21 -5.990 56.302 60.535 1.00 0.00 ATOM 174 O LEU A 21 -3.423 56.017 65.212 1.00 0.00 ATOM 175 C LEU A 21 -3.620 56.776 64.262 1.00 0.00 ATOM 176 N VAL A 22 -3.883 58.067 64.415 1.00 0.00 ATOM 177 CA VAL A 22 -3.905 58.750 65.716 1.00 0.00 ATOM 178 CB VAL A 22 -2.824 59.823 65.762 1.00 0.00 ATOM 179 CG1 VAL A 22 -2.821 60.399 67.168 1.00 0.00 ATOM 180 CG2 VAL A 22 -1.413 59.310 65.459 1.00 0.00 ATOM 181 O VAL A 22 -5.657 60.333 65.271 1.00 0.00 ATOM 182 C VAL A 22 -5.294 59.380 65.950 1.00 0.00 ATOM 183 N CYS A 23 -6.036 58.874 66.928 1.00 0.00 ATOM 184 CA CYS A 23 -7.368 59.450 67.208 1.00 0.00 ATOM 185 CB CYS A 23 -8.345 58.375 67.690 1.00 0.00 ATOM 186 SG CYS A 23 -10.017 59.039 68.005 1.00 0.00 ATOM 187 O CYS A 23 -6.520 60.628 69.165 1.00 0.00 ATOM 188 C CYS A 23 -7.261 60.619 68.158 1.00 0.00 ATOM 189 N GLY A 24 -8.034 61.668 67.873 1.00 0.00 ATOM 190 CA GLY A 24 -8.072 62.804 68.786 1.00 0.00 ATOM 191 O GLY A 24 -10.417 62.380 68.568 1.00 0.00 ATOM 192 C GLY A 24 -9.541 63.107 69.034 1.00 0.00 ATOM 193 N THR A 25 -9.556 64.217 69.868 1.00 0.00 ATOM 194 CA THR A 25 -10.938 64.582 70.172 1.00 0.00 ATOM 195 CB THR A 25 -11.060 65.590 71.325 1.00 0.00 ATOM 196 CG2 THR A 25 -12.506 66.020 71.607 1.00 0.00 ATOM 197 OG1 THR A 25 -10.492 64.978 72.480 1.00 0.00 ATOM 198 O THR A 25 -12.651 65.182 68.573 1.00 0.00 ATOM 199 C THR A 25 -11.473 65.277 68.920 1.00 0.00 ATOM 200 N THR A 26 -10.556 66.024 68.312 1.00 0.00 ATOM 201 CA THR A 26 -10.878 66.864 67.146 1.00 0.00 ATOM 202 CB THR A 26 -10.510 68.331 67.368 1.00 0.00 ATOM 203 CG2 THR A 26 -11.269 68.840 68.581 1.00 0.00 ATOM 204 OG1 THR A 26 -9.107 68.507 67.593 1.00 0.00 ATOM 205 O THR A 26 -10.763 66.800 64.778 1.00 0.00 ATOM 206 C THR A 26 -10.251 66.418 65.827 1.00 0.00 ATOM 207 N HIS A 27 -9.173 65.646 65.876 1.00 0.00 ATOM 208 CA HIS A 27 -8.454 65.231 64.660 1.00 0.00 ATOM 209 CB HIS A 27 -7.168 66.042 64.467 1.00 0.00 ATOM 210 CG HIS A 27 -7.441 67.545 64.254 1.00 0.00 ATOM 211 CD2 HIS A 27 -7.196 68.526 65.118 1.00 0.00 ATOM 212 ND1 HIS A 27 -7.892 68.082 63.123 1.00 0.00 ATOM 213 CE1 HIS A 27 -7.887 69.401 63.300 1.00 0.00 ATOM 214 NE2 HIS A 27 -7.487 69.684 64.529 1.00 0.00 ATOM 215 O HIS A 27 -7.878 63.130 65.681 1.00 0.00 ATOM 216 C HIS A 27 -8.153 63.730 64.653 1.00 0.00 ATOM 217 N SER A 28 -8.200 63.155 63.464 1.00 0.00 ATOM 218 CA SER A 28 -7.711 61.784 63.224 1.00 0.00 ATOM 219 CB SER A 28 -8.836 60.904 62.712 1.00 0.00 ATOM 220 OG SER A 28 -8.420 59.589 62.369 1.00 0.00 ATOM 221 O SER A 28 -6.747 62.304 61.088 1.00 0.00 ATOM 222 C SER A 28 -6.555 61.886 62.233 1.00 0.00 ATOM 223 N VAL A 29 -5.352 61.528 62.682 1.00 0.00 ATOM 224 CA VAL A 29 -4.166 61.595 61.840 1.00 0.00 ATOM 225 CB VAL A 29 -2.900 61.915 62.671 1.00 0.00 ATOM 226 CG1 VAL A 29 -1.685 62.073 61.749 1.00 0.00 ATOM 227 CG2 VAL A 29 -3.119 63.165 63.506 1.00 0.00 ATOM 228 O VAL A 29 -3.980 59.202 61.688 1.00 0.00 ATOM 229 C VAL A 29 -3.995 60.284 61.092 1.00 0.00 ATOM 230 N ILE A 30 -3.855 60.408 59.772 1.00 0.00 ATOM 231 CA ILE A 30 -3.712 59.271 58.874 1.00 0.00 ATOM 232 CB ILE A 30 -4.851 59.192 57.853 1.00 0.00 ATOM 233 CG1 ILE A 30 -6.193 59.221 58.610 1.00 0.00 ATOM 234 CG2 ILE A 30 -4.682 57.942 56.976 1.00 0.00 ATOM 235 CD1 ILE A 30 -7.469 59.164 57.775 1.00 0.00 ATOM 236 O ILE A 30 -2.064 60.346 57.555 1.00 0.00 ATOM 237 C ILE A 30 -2.361 59.317 58.168 1.00 0.00 ATOM 238 N ARG A 31 -1.606 58.177 58.451 1.00 0.00 ATOM 239 CA ARG A 31 -0.295 57.814 57.873 1.00 0.00 ATOM 240 CB ARG A 31 0.772 57.647 58.958 1.00 0.00 ATOM 241 CG ARG A 31 1.095 58.942 59.688 1.00 0.00 ATOM 242 CD ARG A 31 2.014 59.796 58.824 1.00 0.00 ATOM 243 NE ARG A 31 2.386 61.014 59.556 1.00 0.00 ATOM 244 CZ ARG A 31 1.619 62.087 59.695 1.00 0.00 ATOM 245 NH1 ARG A 31 0.427 62.218 59.143 1.00 0.00 ATOM 246 NH2 ARG A 31 2.077 63.114 60.364 1.00 0.00 ATOM 247 O ARG A 31 -1.244 55.664 57.399 1.00 0.00 ATOM 248 C ARG A 31 -0.400 56.489 57.104 1.00 0.00 ATOM 249 N SER A 32 0.531 56.285 56.189 1.00 0.00 ATOM 250 CA SER A 32 0.594 55.008 55.465 1.00 0.00 ATOM 251 CB SER A 32 -0.272 55.157 54.150 1.00 0.00 ATOM 252 OG SER A 32 -1.601 55.352 54.536 1.00 0.00 ATOM 253 O SER A 32 2.833 55.455 54.760 1.00 0.00 ATOM 254 C SER A 32 2.024 54.609 55.161 1.00 0.00 ATOM 255 N GLY A 33 2.276 53.315 55.290 1.00 0.00 ATOM 256 CA GLY A 33 3.582 52.719 54.972 1.00 0.00 ATOM 257 O GLY A 33 2.916 52.969 52.667 1.00 0.00 ATOM 258 C GLY A 33 3.839 52.889 53.475 1.00 0.00 ATOM 259 N ASN A 34 5.104 53.100 53.146 1.00 0.00 ATOM 260 CA ASN A 34 5.511 53.161 51.732 1.00 0.00 ATOM 261 CB ASN A 34 6.917 53.735 51.695 1.00 0.00 ATOM 262 CG ASN A 34 7.977 52.767 52.222 1.00 0.00 ATOM 263 ND2 ASN A 34 9.188 53.194 52.338 1.00 0.00 ATOM 264 OD1 ASN A 34 7.735 51.622 52.533 1.00 0.00 ATOM 265 O ASN A 34 5.131 50.781 51.860 1.00 0.00 ATOM 266 C ASN A 34 5.402 51.734 51.128 1.00 0.00 ATOM 267 N GLY A 35 5.912 51.569 49.905 1.00 0.00 ATOM 268 CA GLY A 35 5.903 50.260 49.241 1.00 0.00 ATOM 269 O GLY A 35 6.431 48.029 50.019 1.00 0.00 ATOM 270 C GLY A 35 6.775 49.194 49.894 1.00 0.00 ATOM 271 N VAL A 36 7.934 49.619 50.341 1.00 0.00 ATOM 272 CA VAL A 36 8.857 48.695 51.038 1.00 0.00 ATOM 273 CB VAL A 36 10.291 49.213 50.975 1.00 0.00 ATOM 274 CG1 VAL A 36 10.818 49.198 49.541 1.00 0.00 ATOM 275 CG2 VAL A 36 10.474 50.625 51.562 1.00 0.00 ATOM 276 O VAL A 36 9.178 47.730 53.205 1.00 0.00 ATOM 277 C VAL A 36 8.530 48.507 52.515 1.00 0.00 ATOM 278 N GLY A 37 7.462 49.238 53.027 1.00 0.00 ATOM 279 CA GLY A 37 7.059 49.127 54.419 1.00 0.00 ATOM 280 O GLY A 37 8.179 49.290 56.535 1.00 0.00 ATOM 281 C GLY A 37 8.172 49.606 55.329 1.00 0.00 ATOM 282 N LEU A 38 9.136 50.410 54.792 1.00 0.00 ATOM 283 CA LEU A 38 10.261 50.894 55.552 1.00 0.00 ATOM 284 CB LEU A 38 11.481 51.098 54.623 1.00 0.00 ATOM 285 CG LEU A 38 12.073 49.818 54.006 1.00 0.00 ATOM 286 CD1 LEU A 38 13.242 50.156 53.065 1.00 0.00 ATOM 287 CD2 LEU A 38 12.541 48.806 55.045 1.00 0.00 ATOM 288 O LEU A 38 10.300 52.419 57.410 1.00 0.00 ATOM 289 C LEU A 38 9.990 52.230 56.232 1.00 0.00 ATOM 290 N GLY A 39 9.387 53.186 55.581 1.00 0.00 ATOM 291 CA GLY A 39 9.022 54.490 56.096 1.00 0.00 ATOM 292 O GLY A 39 6.855 54.488 55.093 1.00 0.00 ATOM 293 C GLY A 39 7.534 54.843 56.065 1.00 0.00 ATOM 294 N PRO A 40 7.015 55.401 57.174 1.00 0.00 ATOM 295 CA PRO A 40 5.644 55.957 57.189 1.00 0.00 ATOM 296 CB PRO A 40 5.259 55.785 58.678 1.00 0.00 ATOM 297 CG PRO A 40 6.545 56.147 59.349 1.00 0.00 ATOM 298 CD PRO A 40 7.564 55.393 58.520 1.00 0.00 ATOM 299 O PRO A 40 6.322 58.236 56.764 1.00 0.00 ATOM 300 C PRO A 40 5.559 57.321 56.499 1.00 0.00 ATOM 301 N ASN A 41 4.546 57.467 55.661 1.00 0.00 ATOM 302 CA ASN A 41 4.324 58.751 54.977 1.00 0.00 ATOM 303 CB ASN A 41 4.165 58.539 53.478 1.00 0.00 ATOM 304 CG ASN A 41 5.446 58.002 52.859 1.00 0.00 ATOM 305 ND2 ASN A 41 5.265 57.317 51.767 1.00 0.00 ATOM 306 OD1 ASN A 41 6.567 58.279 53.249 1.00 0.00 ATOM 307 O ASN A 41 2.075 58.638 55.676 1.00 0.00 ATOM 308 C ASN A 41 3.036 59.374 55.472 1.00 0.00 ATOM 309 N ARG A 42 3.051 60.700 55.605 1.00 0.00 ATOM 310 CA ARG A 42 1.857 61.494 55.936 1.00 0.00 ATOM 311 CB ARG A 42 2.252 62.888 56.395 1.00 0.00 ATOM 312 CG ARG A 42 0.992 63.700 56.669 1.00 0.00 ATOM 313 CD ARG A 42 1.405 65.053 57.178 1.00 0.00 ATOM 314 NE ARG A 42 0.174 65.797 57.429 1.00 0.00 ATOM 315 CZ ARG A 42 0.072 66.852 58.224 1.00 0.00 ATOM 316 NH1 ARG A 42 1.144 67.311 58.838 1.00 0.00 ATOM 317 NH2 ARG A 42 -1.120 67.330 58.560 1.00 0.00 ATOM 318 O ARG A 42 1.358 62.051 53.653 1.00 0.00 ATOM 319 C ARG A 42 0.929 61.611 54.722 1.00 0.00 ATOM 320 N PRO A 43 -0.338 61.021 55.103 1.00 0.00 ATOM 321 CA PRO A 43 -1.386 61.316 54.127 1.00 0.00 ATOM 322 CB PRO A 43 -2.213 60.004 53.908 1.00 0.00 ATOM 323 CG PRO A 43 -1.350 58.885 54.486 1.00 0.00 ATOM 324 CD PRO A 43 -0.306 59.543 55.356 1.00 0.00 ATOM 325 O PRO A 43 -2.198 63.517 53.655 1.00 0.00 ATOM 326 C PRO A 43 -2.204 62.579 54.454 1.00 0.00 ATOM 327 N PHE A 44 -2.832 62.636 55.635 1.00 0.00 ATOM 328 CA PHE A 44 -3.727 63.757 55.997 1.00 0.00 ATOM 329 CB PHE A 44 -4.886 63.940 55.003 1.00 0.00 ATOM 330 CG PHE A 44 -5.738 62.703 54.920 1.00 0.00 ATOM 331 CD1 PHE A 44 -6.926 62.645 55.621 1.00 0.00 ATOM 332 CD2 PHE A 44 -5.308 61.645 54.160 1.00 0.00 ATOM 333 CE1 PHE A 44 -7.704 61.517 55.538 1.00 0.00 ATOM 334 CE2 PHE A 44 -6.070 60.533 54.115 1.00 0.00 ATOM 335 CZ PHE A 44 -7.278 60.450 54.801 1.00 0.00 ATOM 336 O PHE A 44 -4.255 62.642 58.063 1.00 0.00 ATOM 337 C PHE A 44 -4.168 63.711 57.450 1.00 0.00 ATOM 338 N GLU A 45 -4.589 64.891 57.915 1.00 0.00 ATOM 339 CA GLU A 45 -5.165 65.040 59.228 1.00 0.00 ATOM 340 CB GLU A 45 -4.428 66.189 59.911 1.00 0.00 ATOM 341 CG GLU A 45 -4.880 66.454 61.353 1.00 0.00 ATOM 342 CD GLU A 45 -4.088 67.588 62.010 1.00 0.00 ATOM 343 OE1 GLU A 45 -3.153 68.141 61.374 1.00 0.00 ATOM 344 OE2 GLU A 45 -4.377 67.848 63.199 1.00 0.00 ATOM 345 O GLU A 45 -7.017 66.374 58.434 1.00 0.00 ATOM 346 C GLU A 45 -6.644 65.318 58.954 1.00 0.00 ATOM 347 N THR A 46 -7.462 64.337 59.273 1.00 0.00 ATOM 348 CA THR A 46 -8.892 64.524 59.081 1.00 0.00 ATOM 349 CB THR A 46 -9.622 63.175 59.038 1.00 0.00 ATOM 350 CG2 THR A 46 -11.120 63.365 58.838 1.00 0.00 ATOM 351 OG1 THR A 46 -9.088 62.428 57.961 1.00 0.00 ATOM 352 O THR A 46 -9.168 65.010 61.417 1.00 0.00 ATOM 353 C THR A 46 -9.424 65.333 60.254 1.00 0.00 ATOM 354 N ARG A 47 -10.134 66.386 59.894 1.00 0.00 ATOM 355 CA ARG A 47 -10.917 67.191 60.851 1.00 0.00 ATOM 356 CB ARG A 47 -11.080 68.662 60.327 1.00 0.00 ATOM 357 CG ARG A 47 -9.831 69.390 59.851 1.00 0.00 ATOM 358 CD ARG A 47 -9.271 68.835 58.539 1.00 0.00 ATOM 359 NE ARG A 47 -10.167 69.019 57.408 1.00 0.00 ATOM 360 CZ ARG A 47 -10.129 70.060 56.582 1.00 0.00 ATOM 361 NH1 ARG A 47 -9.235 71.019 56.770 1.00 0.00 ATOM 362 NH2 ARG A 47 -10.971 70.136 55.558 1.00 0.00 ATOM 363 O ARG A 47 -13.016 66.127 60.347 1.00 0.00 ATOM 364 C ARG A 47 -12.194 66.438 61.210 1.00 0.00 ATOM 365 N MET A 48 -12.319 66.120 62.535 1.00 0.00 ATOM 366 CA MET A 48 -13.498 65.431 63.053 1.00 0.00 ATOM 367 CB MET A 48 -13.098 63.967 63.253 1.00 0.00 ATOM 368 CG MET A 48 -12.058 63.833 64.369 1.00 0.00 ATOM 369 SD MET A 48 -11.632 62.127 64.836 1.00 0.00 ATOM 370 CE MET A 48 -13.179 61.676 65.583 1.00 0.00 ATOM 371 O MET A 48 -13.418 67.138 64.723 1.00 0.00 ATOM 372 C MET A 48 -13.897 66.034 64.422 1.00 0.00 ATOM 373 N PRO A 49 -14.863 65.432 65.310 1.00 0.00 ATOM 374 CA PRO A 49 -15.118 65.907 66.688 1.00 0.00 ATOM 375 CB PRO A 49 -16.012 67.117 66.370 1.00 0.00 ATOM 376 CG PRO A 49 -16.508 66.785 64.959 1.00 0.00 ATOM 377 CD PRO A 49 -16.153 65.349 64.645 1.00 0.00 ATOM 378 O PRO A 49 -17.093 64.606 67.142 1.00 0.00 ATOM 379 C PRO A 49 -15.951 64.919 67.480 1.00 0.00 ATOM 380 N MET A 50 -15.337 64.451 68.569 1.00 0.00 ATOM 381 CA MET A 50 -15.965 63.526 69.469 1.00 0.00 ATOM 382 CB MET A 50 -15.373 63.882 70.975 1.00 0.00 ATOM 383 CG MET A 50 -15.306 62.792 72.045 1.00 0.00 ATOM 384 SD MET A 50 -14.285 61.350 71.598 1.00 0.00 ATOM 385 CE MET A 50 -12.632 61.992 71.858 1.00 0.00 ATOM 386 O MET A 50 -18.268 63.167 70.009 1.00 0.00 ATOM 387 C MET A 50 -17.363 63.986 69.856 1.00 0.00 ATOM 388 N LEU A 51 -17.451 65.249 69.966 1.00 0.00 ATOM 389 CA LEU A 51 -18.756 65.783 70.331 1.00 0.00 ATOM 390 CB LEU A 51 -18.606 67.277 70.664 1.00 0.00 ATOM 391 CG LEU A 51 -17.787 67.554 71.937 1.00 0.00 ATOM 392 CD1 LEU A 51 -17.510 69.054 72.046 1.00 0.00 ATOM 393 CD2 LEU A 51 -18.535 67.124 73.202 1.00 0.00 ATOM 394 O LEU A 51 -20.861 65.050 69.435 1.00 0.00 ATOM 395 C LEU A 51 -19.767 65.547 69.180 1.00 0.00 ATOM 396 N THR A 52 -19.336 65.678 67.925 1.00 0.00 ATOM 397 CA THR A 52 -20.185 65.430 66.721 1.00 0.00 ATOM 398 CB THR A 52 -20.316 66.682 65.922 1.00 0.00 ATOM 399 CG2 THR A 52 -21.091 67.732 66.698 1.00 0.00 ATOM 400 OG1 THR A 52 -19.020 67.283 65.682 1.00 0.00 ATOM 401 O THR A 52 -20.047 64.027 64.785 1.00 0.00 ATOM 402 C THR A 52 -19.664 64.230 65.947 1.00 0.00 ATOM 403 N GLN A 53 -18.781 63.394 66.636 1.00 0.00 ATOM 404 CA GLN A 53 -18.216 62.210 65.978 1.00 0.00 ATOM 405 CB GLN A 53 -17.076 61.698 66.853 1.00 0.00 ATOM 406 CG GLN A 53 -16.434 60.407 66.348 1.00 0.00 ATOM 407 CD GLN A 53 -15.363 59.889 67.287 1.00 0.00 ATOM 408 OE1 GLN A 53 -15.012 60.454 68.321 1.00 0.00 ATOM 409 NE2 GLN A 53 -14.689 58.880 66.830 1.00 0.00 ATOM 410 O GLN A 53 -19.400 60.477 64.856 1.00 0.00 ATOM 411 C GLN A 53 -19.260 61.111 65.900 1.00 0.00 ATOM 412 N ASN A 54 -19.963 60.936 67.024 1.00 0.00 ATOM 413 CA ASN A 54 -20.996 59.908 67.094 1.00 0.00 ATOM 414 CB ASN A 54 -21.538 59.752 68.512 1.00 0.00 ATOM 415 CG ASN A 54 -20.457 59.166 69.422 1.00 0.00 ATOM 416 ND2 ASN A 54 -20.539 59.600 70.646 1.00 0.00 ATOM 417 OD1 ASN A 54 -19.603 58.376 69.071 1.00 0.00 ATOM 418 O ASN A 54 -22.541 59.404 65.322 1.00 0.00 ATOM 419 C ASN A 54 -22.056 60.266 66.049 1.00 0.00 ATOM 420 N LEU A 55 -22.441 61.539 66.004 1.00 0.00 ATOM 421 CA LEU A 55 -23.457 61.978 65.053 1.00 0.00 ATOM 422 CB LEU A 55 -23.906 63.415 65.342 1.00 0.00 ATOM 423 CG LEU A 55 -24.656 63.609 66.661 1.00 0.00 ATOM 424 CD1 LEU A 55 -24.893 65.136 66.842 1.00 0.00 ATOM 425 CD2 LEU A 55 -25.999 62.889 66.619 1.00 0.00 ATOM 426 O LEU A 55 -23.830 61.572 62.707 1.00 0.00 ATOM 427 C LEU A 55 -23.008 61.836 63.600 1.00 0.00 ATOM 428 N LEU A 56 -21.714 62.007 63.372 1.00 0.00 ATOM 429 CA LEU A 56 -21.152 61.884 62.028 1.00 0.00 ATOM 430 CB LEU A 56 -19.882 62.731 61.906 1.00 0.00 ATOM 431 CG LEU A 56 -20.049 64.250 61.791 1.00 0.00 ATOM 432 CD1 LEU A 56 -18.680 64.912 61.768 1.00 0.00 ATOM 433 CD2 LEU A 56 -20.820 64.587 60.524 1.00 0.00 ATOM 434 O LEU A 56 -20.395 60.104 60.606 1.00 0.00 ATOM 435 C LEU A 56 -20.827 60.429 61.714 1.00 0.00 ATOM 436 N GLY A 57 -21.026 59.558 62.701 1.00 0.00 ATOM 437 CA GLY A 57 -20.754 58.149 62.519 1.00 0.00 ATOM 438 O GLY A 57 -18.942 56.834 61.691 1.00 0.00 ATOM 439 C GLY A 57 -19.285 57.843 62.306 1.00 0.00 ATOM 440 N LEU A 58 -18.410 58.706 62.819 1.00 0.00 ATOM 441 CA LEU A 58 -16.974 58.495 62.659 1.00 0.00 ATOM 442 CB LEU A 58 -16.190 59.682 63.218 1.00 0.00 ATOM 443 CG LEU A 58 -16.420 61.034 62.534 1.00 0.00 ATOM 444 CD1 LEU A 58 -15.492 62.070 63.146 1.00 0.00 ATOM 445 CD2 LEU A 58 -16.168 60.918 61.038 1.00 0.00 ATOM 446 O LEU A 58 -17.196 56.731 64.270 1.00 0.00 ATOM 447 C LEU A 58 -16.527 57.222 63.357 1.00 0.00 ATOM 448 N PRO A 59 -15.377 56.437 63.156 1.00 0.00 ATOM 449 CA PRO A 59 -14.340 56.619 62.085 1.00 0.00 ATOM 450 CB PRO A 59 -13.055 55.994 62.648 1.00 0.00 ATOM 451 CG PRO A 59 -13.611 54.755 63.336 1.00 0.00 ATOM 452 CD PRO A 59 -14.904 55.268 63.953 1.00 0.00 ATOM 453 O PRO A 59 -14.047 55.417 59.922 1.00 0.00 ATOM 454 C PRO A 59 -14.776 55.811 60.837 1.00 0.00 ATOM 455 N LEU A 60 -16.103 55.648 60.545 1.00 0.00 ATOM 456 CA LEU A 60 -16.534 55.015 59.308 1.00 0.00 ATOM 457 CB LEU A 60 -18.045 54.818 59.346 1.00 0.00 ATOM 458 CG LEU A 60 -18.495 53.697 60.276 1.00 0.00 ATOM 459 CD1 LEU A 60 -20.022 53.748 60.340 1.00 0.00 ATOM 460 CD2 LEU A 60 -17.936 52.362 59.766 1.00 0.00 ATOM 461 O LEU A 60 -15.721 55.274 57.082 1.00 0.00 ATOM 462 C LEU A 60 -16.220 55.825 58.068 1.00 0.00 ATOM 463 N ARG A 61 -16.465 57.140 58.140 1.00 0.00 ATOM 464 CA ARG A 61 -16.234 58.024 56.990 1.00 0.00 ATOM 465 CB ARG A 61 -16.759 59.378 57.364 1.00 0.00 ATOM 466 CG ARG A 61 -18.244 59.350 57.629 1.00 0.00 ATOM 467 CD ARG A 61 -18.956 60.350 56.774 1.00 0.00 ATOM 468 NE ARG A 61 -20.140 59.767 56.227 1.00 0.00 ATOM 469 CZ ARG A 61 -21.295 60.250 56.531 1.00 0.00 ATOM 470 NH1 ARG A 61 -21.392 61.295 57.367 1.00 0.00 ATOM 471 NH2 ARG A 61 -22.362 59.695 55.962 1.00 0.00 ATOM 472 O ARG A 61 -14.416 57.894 55.412 1.00 0.00 ATOM 473 C ARG A 61 -14.750 58.033 56.586 1.00 0.00 ATOM 474 N VAL A 62 -13.894 58.136 57.611 1.00 0.00 ATOM 475 CA VAL A 62 -12.436 58.136 57.385 1.00 0.00 ATOM 476 CB VAL A 62 -11.827 58.693 58.653 1.00 0.00 ATOM 477 CG1 VAL A 62 -10.364 58.390 58.653 1.00 0.00 ATOM 478 CG2 VAL A 62 -12.142 60.173 58.828 1.00 0.00 ATOM 479 O VAL A 62 -10.994 56.717 56.095 1.00 0.00 ATOM 480 C VAL A 62 -11.884 56.779 56.947 1.00 0.00 ATOM 481 N ALA A 63 -12.394 55.694 57.524 1.00 0.00 ATOM 482 CA ALA A 63 -11.931 54.368 57.136 1.00 0.00 ATOM 483 CB ALA A 63 -12.550 53.369 58.088 1.00 0.00 ATOM 484 O ALA A 63 -11.606 53.475 54.935 1.00 0.00 ATOM 485 C ALA A 63 -12.333 54.112 55.675 1.00 0.00 ATOM 486 N ALA A 64 -13.526 54.599 55.275 1.00 0.00 ATOM 487 CA ALA A 64 -13.989 54.406 53.899 1.00 0.00 ATOM 488 CB ALA A 64 -15.413 54.932 53.765 1.00 0.00 ATOM 489 O ALA A 64 -12.710 54.622 51.896 1.00 0.00 ATOM 490 C ALA A 64 -13.067 55.159 52.950 1.00 0.00 ATOM 491 N GLY A 65 -12.715 56.404 53.323 1.00 0.00 ATOM 492 CA GLY A 65 -11.817 57.246 52.504 1.00 0.00 ATOM 493 O GLY A 65 -9.754 56.645 51.445 1.00 0.00 ATOM 494 C GLY A 65 -10.439 56.619 52.470 1.00 0.00 ATOM 495 N CYS A 66 -10.064 56.026 53.591 1.00 0.00 ATOM 496 CA CYS A 66 -8.759 55.384 53.676 1.00 0.00 ATOM 497 CB CYS A 66 -8.426 55.048 55.132 1.00 0.00 ATOM 498 SG CYS A 66 -8.000 56.488 56.139 1.00 0.00 ATOM 499 O CYS A 66 -7.731 53.737 52.246 1.00 0.00 ATOM 500 C CYS A 66 -8.745 54.095 52.876 1.00 0.00 ATOM 501 N VAL A 67 -9.862 53.367 52.919 1.00 0.00 ATOM 502 CA VAL A 67 -9.974 52.144 52.121 1.00 0.00 ATOM 503 CB VAL A 67 -11.374 51.511 52.412 1.00 0.00 ATOM 504 CG1 VAL A 67 -11.688 50.391 51.401 1.00 0.00 ATOM 505 CG2 VAL A 67 -11.403 50.936 53.811 1.00 0.00 ATOM 506 O VAL A 67 -9.168 51.658 49.996 1.00 0.00 ATOM 507 C VAL A 67 -9.784 52.483 50.651 1.00 0.00 ATOM 508 N LYS A 68 -10.452 53.544 50.189 1.00 0.00 ATOM 509 CA LYS A 68 -10.438 53.957 48.780 1.00 0.00 ATOM 510 CB LYS A 68 -10.909 55.373 48.679 1.00 0.00 ATOM 511 CG LYS A 68 -12.441 55.399 48.774 1.00 0.00 ATOM 512 CD LYS A 68 -13.016 56.791 48.720 1.00 0.00 ATOM 513 CE LYS A 68 -14.507 56.717 48.698 1.00 0.00 ATOM 514 NZ LYS A 68 -15.157 58.043 48.599 1.00 0.00 ATOM 515 O LYS A 68 -8.138 54.693 48.814 1.00 0.00 ATOM 516 C LYS A 68 -8.995 53.997 48.262 1.00 0.00 ATOM 517 N SER A 69 -8.608 53.158 47.210 1.00 0.00 ATOM 518 CA SER A 69 -7.293 53.126 46.565 1.00 0.00 ATOM 519 CB SER A 69 -6.647 54.564 46.810 1.00 0.00 ATOM 520 OG SER A 69 -7.332 55.547 46.040 1.00 0.00 ATOM 521 O SER A 69 -5.550 51.557 46.092 1.00 0.00 ATOM 522 C SER A 69 -6.185 52.156 46.961 1.00 0.00 ATOM 523 N TRP A 70 -5.913 52.081 48.257 1.00 0.00 ATOM 524 CA TRP A 70 -4.805 51.252 48.727 1.00 0.00 ATOM 525 CB TRP A 70 -3.891 52.047 49.661 1.00 0.00 ATOM 526 CG TRP A 70 -3.186 53.222 48.964 1.00 0.00 ATOM 527 CD1 TRP A 70 -3.323 53.621 47.701 1.00 0.00 ATOM 528 CD2 TRP A 70 -2.319 54.117 49.549 1.00 0.00 ATOM 529 CE2 TRP A 70 -1.972 55.033 48.568 1.00 0.00 ATOM 530 CE3 TRP A 70 -1.745 54.206 50.801 1.00 0.00 ATOM 531 NE1 TRP A 70 -2.604 54.701 47.456 1.00 0.00 ATOM 532 CZ2 TRP A 70 -1.048 56.039 48.806 1.00 0.00 ATOM 533 CZ3 TRP A 70 -0.795 55.199 51.005 1.00 0.00 ATOM 534 CH2 TRP A 70 -0.440 56.101 50.030 1.00 0.00 ATOM 535 O TRP A 70 -6.388 49.970 50.024 1.00 0.00 ATOM 536 C TRP A 70 -5.297 50.014 49.428 1.00 0.00 ATOM 537 N ASN A 71 -4.477 48.983 49.332 1.00 0.00 ATOM 538 CA ASN A 71 -4.887 47.786 50.037 1.00 0.00 ATOM 539 CB ASN A 71 -4.586 46.556 49.189 1.00 0.00 ATOM 540 CG ASN A 71 -5.452 46.442 47.969 1.00 0.00 ATOM 541 ND2 ASN A 71 -4.876 46.222 46.822 1.00 0.00 ATOM 542 OD1 ASN A 71 -6.667 46.547 48.065 1.00 0.00 ATOM 543 O ASN A 71 -2.952 47.372 51.389 1.00 0.00 ATOM 544 C ASN A 71 -4.139 47.680 51.364 1.00 0.00 ATOM 545 N TYR A 72 -4.921 47.923 52.493 1.00 0.00 ATOM 546 CA TYR A 72 -4.259 47.834 53.785 1.00 0.00 ATOM 547 CB TYR A 72 -5.021 48.861 54.605 1.00 0.00 ATOM 548 CG TYR A 72 -4.850 50.304 54.209 1.00 0.00 ATOM 549 CD1 TYR A 72 -5.736 50.863 53.307 1.00 0.00 ATOM 550 CD2 TYR A 72 -3.815 51.039 54.749 1.00 0.00 ATOM 551 CE1 TYR A 72 -5.572 52.182 52.929 1.00 0.00 ATOM 552 CE2 TYR A 72 -3.650 52.358 54.371 1.00 0.00 ATOM 553 CZ TYR A 72 -4.531 52.924 53.455 1.00 0.00 ATOM 554 OH TYR A 72 -4.293 54.179 53.015 1.00 0.00 ATOM 555 O TYR A 72 -5.443 45.825 54.244 1.00 0.00 ATOM 556 C TYR A 72 -4.390 46.426 54.376 1.00 0.00 ATOM 557 N VAL A 73 -3.335 45.962 55.057 1.00 0.00 ATOM 558 CA VAL A 73 -3.342 44.637 55.720 1.00 0.00 ATOM 559 CB VAL A 73 -2.148 43.705 55.444 1.00 0.00 ATOM 560 CG1 VAL A 73 -2.014 43.312 54.017 1.00 0.00 ATOM 561 CG2 VAL A 73 -0.780 44.336 55.609 1.00 0.00 ATOM 562 O VAL A 73 -4.075 43.968 57.916 1.00 0.00 ATOM 563 C VAL A 73 -3.421 44.766 57.237 1.00 0.00 ATOM 564 N GLU A 74 -2.737 45.844 57.772 1.00 0.00 ATOM 565 CA GLU A 74 -2.735 46.130 59.197 1.00 0.00 ATOM 566 CB GLU A 74 -1.398 45.723 59.842 1.00 0.00 ATOM 567 CG GLU A 74 -1.031 44.262 59.702 1.00 0.00 ATOM 568 CD GLU A 74 0.229 43.910 60.478 1.00 0.00 ATOM 569 OE1 GLU A 74 1.275 44.554 60.258 1.00 0.00 ATOM 570 OE2 GLU A 74 0.173 42.984 61.313 1.00 0.00 ATOM 571 O GLU A 74 -2.635 48.472 58.657 1.00 0.00 ATOM 572 C GLU A 74 -2.907 47.584 59.511 1.00 0.00 ATOM 573 N ALA A 75 -3.405 47.917 60.775 1.00 0.00 ATOM 574 CA ALA A 75 -3.564 49.265 61.223 1.00 0.00 ATOM 575 CB ALA A 75 -5.019 49.603 61.490 1.00 0.00 ATOM 576 O ALA A 75 -2.779 48.478 63.359 1.00 0.00 ATOM 577 C ALA A 75 -2.805 49.397 62.543 1.00 0.00 ATOM 578 N SER A 76 -2.107 50.515 62.659 1.00 0.00 ATOM 579 CA SER A 76 -1.365 50.858 63.887 1.00 0.00 ATOM 580 CB SER A 76 0.124 51.014 63.537 1.00 0.00 ATOM 581 OG SER A 76 0.752 49.731 63.277 1.00 0.00 ATOM 582 O SER A 76 -1.872 53.197 63.947 1.00 0.00 ATOM 583 C SER A 76 -1.972 52.131 64.524 1.00 0.00 ATOM 584 N ILE A 77 -2.650 52.003 65.669 1.00 0.00 ATOM 585 CA ILE A 77 -3.333 53.132 66.338 1.00 0.00 ATOM 586 CB ILE A 77 -4.787 52.769 66.720 1.00 0.00 ATOM 587 CG1 ILE A 77 -5.581 52.399 65.458 1.00 0.00 ATOM 588 CG2 ILE A 77 -5.488 53.924 67.485 1.00 0.00 ATOM 589 CD1 ILE A 77 -6.984 51.871 65.749 1.00 0.00 ATOM 590 O ILE A 77 -2.218 52.824 68.456 1.00 0.00 ATOM 591 C ILE A 77 -2.527 53.612 67.553 1.00 0.00 ATOM 592 N GLY A 78 -2.406 54.931 67.622 1.00 0.00 ATOM 593 CA GLY A 78 -1.716 55.645 68.705 1.00 0.00 ATOM 594 O GLY A 78 -2.043 55.631 71.101 1.00 0.00 ATOM 595 C GLY A 78 -2.554 55.756 69.990 1.00 0.00 ATOM 596 N LEU A 79 -3.865 55.936 69.811 1.00 0.00 ATOM 597 CA LEU A 79 -4.824 56.080 70.932 1.00 0.00 ATOM 598 CB LEU A 79 -6.216 56.463 70.388 1.00 0.00 ATOM 599 CG LEU A 79 -7.333 56.500 71.443 1.00 0.00 ATOM 600 CD1 LEU A 79 -7.119 57.552 72.526 1.00 0.00 ATOM 601 CD2 LEU A 79 -8.666 56.745 70.754 1.00 0.00 ATOM 602 O LEU A 79 -4.892 54.891 73.009 1.00 0.00 ATOM 603 C LEU A 79 -4.868 54.816 71.783 1.00 0.00 ATOM 604 N ALA A 80 -4.869 53.666 71.123 1.00 0.00 ATOM 605 CA ALA A 80 -4.896 52.387 71.825 1.00 0.00 ATOM 606 CB ALA A 80 -4.992 51.248 70.781 1.00 0.00 ATOM 607 O ALA A 80 -3.774 51.840 73.880 1.00 0.00 ATOM 608 C ALA A 80 -3.667 52.275 72.734 1.00 0.00 ATOM 609 N ALA A 81 -2.514 52.713 72.237 1.00 0.00 ATOM 610 CA ALA A 81 -1.279 52.636 73.053 1.00 0.00 ATOM 611 CB ALA A 81 -0.070 53.008 72.212 1.00 0.00 ATOM 612 O ALA A 81 -0.944 53.201 75.376 1.00 0.00 ATOM 613 C ALA A 81 -1.367 53.553 74.265 1.00 0.00 ATOM 614 N ILE A 82 -1.909 54.747 74.049 1.00 0.00 ATOM 615 CA ILE A 82 -2.084 55.715 75.149 1.00 0.00 ATOM 616 CB ILE A 82 -2.630 57.033 74.599 1.00 0.00 ATOM 617 CG1 ILE A 82 -1.541 57.744 73.800 1.00 0.00 ATOM 618 CG2 ILE A 82 -3.119 57.927 75.731 1.00 0.00 ATOM 619 CD1 ILE A 82 -2.089 58.869 72.926 1.00 0.00 ATOM 620 O ILE A 82 -2.715 55.110 77.395 1.00 0.00 ATOM 621 C ILE A 82 -3.014 55.109 76.197 1.00 0.00 ATOM 622 N ASN A 83 -4.148 54.575 75.739 1.00 0.00 ATOM 623 CA ASN A 83 -5.126 53.966 76.628 1.00 0.00 ATOM 624 CB ASN A 83 -6.375 53.524 75.892 1.00 0.00 ATOM 625 CG ASN A 83 -7.095 54.706 75.230 1.00 0.00 ATOM 626 ND2 ASN A 83 -7.815 54.400 74.191 1.00 0.00 ATOM 627 OD1 ASN A 83 -6.964 55.869 75.543 1.00 0.00 ATOM 628 O ASN A 83 -4.807 52.535 78.567 1.00 0.00 ATOM 629 C ASN A 83 -4.554 52.765 77.376 1.00 0.00 ATOM 630 N ALA A 84 -3.742 51.932 76.681 1.00 0.00 ATOM 631 CA ALA A 84 -3.118 50.773 77.297 1.00 0.00 ATOM 632 CB ALA A 84 -2.539 49.920 76.194 1.00 0.00 ATOM 633 O ALA A 84 -1.982 50.507 79.380 1.00 0.00 ATOM 634 C ALA A 84 -2.045 51.129 78.289 1.00 0.00 ATOM 635 N TYR A 85 -1.237 52.150 77.987 1.00 0.00 ATOM 636 CA TYR A 85 -0.197 52.563 78.922 1.00 0.00 ATOM 637 CB TYR A 85 0.747 53.558 78.217 1.00 0.00 ATOM 638 CG TYR A 85 1.734 54.262 79.148 1.00 0.00 ATOM 639 CD1 TYR A 85 1.457 55.559 79.534 1.00 0.00 ATOM 640 CD2 TYR A 85 2.804 53.584 79.730 1.00 0.00 ATOM 641 CE1 TYR A 85 2.252 56.204 80.481 1.00 0.00 ATOM 642 CE2 TYR A 85 3.595 54.217 80.679 1.00 0.00 ATOM 643 CZ TYR A 85 3.324 55.535 81.063 1.00 0.00 ATOM 644 OH TYR A 85 4.189 56.191 81.876 1.00 0.00 ATOM 645 O TYR A 85 -0.164 52.872 81.259 1.00 0.00 ATOM 646 C TYR A 85 -0.806 52.970 80.219 1.00 0.00 ATOM 647 N TYR A 86 -2.061 53.514 80.166 1.00 0.00 ATOM 648 CA TYR A 86 -2.764 54.011 81.319 1.00 0.00 ATOM 649 CB TYR A 86 -3.476 55.326 81.032 1.00 0.00 ATOM 650 CG TYR A 86 -2.496 56.474 80.856 1.00 0.00 ATOM 651 CD1 TYR A 86 -1.853 57.020 81.953 1.00 0.00 ATOM 652 CD2 TYR A 86 -2.233 56.957 79.584 1.00 0.00 ATOM 653 CE1 TYR A 86 -0.904 58.009 81.756 1.00 0.00 ATOM 654 CE2 TYR A 86 -1.305 57.953 79.387 1.00 0.00 ATOM 655 CZ TYR A 86 -0.628 58.474 80.479 1.00 0.00 ATOM 656 OH TYR A 86 0.357 59.382 80.279 1.00 0.00 ATOM 657 O TYR A 86 -4.488 53.309 82.833 1.00 0.00 ATOM 658 C TYR A 86 -3.725 52.977 81.908 1.00 0.00 ATOM 659 N ASN A 87 -3.742 51.766 81.373 1.00 0.00 ATOM 660 CA ASN A 87 -4.620 50.686 81.862 1.00 0.00 ATOM 661 CB ASN A 87 -4.208 50.215 83.258 1.00 0.00 ATOM 662 CG ASN A 87 -2.799 49.703 83.170 1.00 0.00 ATOM 663 ND2 ASN A 87 -1.962 50.192 84.032 1.00 0.00 ATOM 664 OD1 ASN A 87 -2.484 48.815 82.400 1.00 0.00 ATOM 665 O ASN A 87 -6.813 50.852 82.851 1.00 0.00 ATOM 666 C ASN A 87 -6.084 51.119 81.892 1.00 0.00 ATOM 667 N ASN A 88 -6.506 51.820 80.761 1.00 0.00 ATOM 668 CA ASN A 88 -7.875 52.288 80.633 1.00 0.00 ATOM 669 CB ASN A 88 -7.855 53.917 80.475 1.00 0.00 ATOM 670 CG ASN A 88 -9.133 54.621 80.888 1.00 0.00 ATOM 671 ND2 ASN A 88 -9.927 53.972 81.760 1.00 0.00 ATOM 672 OD1 ASN A 88 -9.359 55.780 80.516 1.00 0.00 ATOM 673 O ASN A 88 -9.591 52.035 79.065 1.00 0.00 ATOM 674 C ASN A 88 -8.543 51.540 79.464 1.00 0.00 ATOM 675 N PRO A 89 -8.056 50.362 79.004 1.00 0.00 ATOM 676 CA PRO A 89 -8.633 49.678 77.843 1.00 0.00 ATOM 677 CB PRO A 89 -7.647 48.796 77.287 1.00 0.00 ATOM 678 CG PRO A 89 -6.639 48.593 78.380 1.00 0.00 ATOM 679 CD PRO A 89 -6.553 49.966 79.001 1.00 0.00 ATOM 680 O PRO A 89 -10.707 48.322 78.079 1.00 0.00 ATOM 681 C PRO A 89 -10.132 49.390 77.872 1.00 0.00 ATOM 682 N GLN A 90 -10.612 50.528 77.122 1.00 0.00 ATOM 683 CA GLN A 90 -11.996 50.567 76.637 1.00 0.00 ATOM 684 CB GLN A 90 -12.980 51.058 77.699 1.00 0.00 ATOM 685 CG GLN A 90 -13.114 50.039 78.834 1.00 0.00 ATOM 686 CD GLN A 90 -14.071 50.498 79.924 1.00 0.00 ATOM 687 OE1 GLN A 90 -14.567 51.608 79.996 1.00 0.00 ATOM 688 NE2 GLN A 90 -14.285 49.633 80.884 1.00 0.00 ATOM 689 O GLN A 90 -12.459 50.978 74.345 1.00 0.00 ATOM 690 C GLN A 90 -12.137 51.477 75.423 1.00 0.00 ATOM 691 N VAL A 91 -11.624 52.701 75.518 1.00 0.00 ATOM 692 CA VAL A 91 -11.656 53.632 74.364 1.00 0.00 ATOM 693 CB VAL A 91 -11.221 55.061 74.760 1.00 0.00 ATOM 694 CG1 VAL A 91 -11.066 55.970 73.547 1.00 0.00 ATOM 695 CG2 VAL A 91 -12.258 55.695 75.688 1.00 0.00 ATOM 696 O VAL A 91 -11.109 53.154 72.085 1.00 0.00 ATOM 697 C VAL A 91 -10.755 53.085 73.262 1.00 0.00 ATOM 698 N ALA A 92 -9.595 52.504 73.628 1.00 0.00 ATOM 699 CA ALA A 92 -8.679 51.930 72.645 1.00 0.00 ATOM 700 CB ALA A 92 -7.459 51.382 73.377 1.00 0.00 ATOM 701 O ALA A 92 -9.208 50.667 70.677 1.00 0.00 ATOM 702 C ALA A 92 -9.311 50.760 71.904 1.00 0.00 ATOM 703 N ARG A 93 -9.994 49.895 72.642 1.00 0.00 ATOM 704 CA ARG A 93 -10.646 48.744 72.026 1.00 0.00 ATOM 705 CB ARG A 93 -11.214 47.811 73.099 1.00 0.00 ATOM 706 CG ARG A 93 -10.065 47.031 73.721 1.00 0.00 ATOM 707 CD ARG A 93 -10.583 46.324 74.967 1.00 0.00 ATOM 708 NE ARG A 93 -9.517 45.487 75.563 1.00 0.00 ATOM 709 CZ ARG A 93 -9.613 44.889 76.749 1.00 0.00 ATOM 710 NH1 ARG A 93 -10.729 44.995 77.464 1.00 0.00 ATOM 711 NH2 ARG A 93 -8.627 44.144 77.226 1.00 0.00 ATOM 712 O ARG A 93 -11.759 48.816 69.944 1.00 0.00 ATOM 713 C ARG A 93 -11.709 49.247 71.076 1.00 0.00 ATOM 714 N GLU A 94 -12.514 50.241 71.489 1.00 0.00 ATOM 715 CA GLU A 94 -13.538 50.796 70.607 1.00 0.00 ATOM 716 CB GLU A 94 -14.359 51.809 71.380 1.00 0.00 ATOM 717 CG GLU A 94 -15.270 51.246 72.479 1.00 0.00 ATOM 718 CD GLU A 94 -15.923 52.356 73.313 1.00 0.00 ATOM 719 OE1 GLU A 94 -15.641 53.551 73.073 1.00 0.00 ATOM 720 OE2 GLU A 94 -16.760 52.010 74.166 1.00 0.00 ATOM 721 O GLU A 94 -13.329 51.098 68.241 1.00 0.00 ATOM 722 C GLU A 94 -12.936 51.460 69.346 1.00 0.00 ATOM 723 N HIS A 95 -11.886 52.288 69.503 1.00 0.00 ATOM 724 CA HIS A 95 -11.285 52.990 68.331 1.00 0.00 ATOM 725 CB HIS A 95 -10.255 54.117 68.566 1.00 0.00 ATOM 726 CG HIS A 95 -9.895 54.884 67.266 1.00 0.00 ATOM 727 CD2 HIS A 95 -8.773 54.829 66.541 1.00 0.00 ATOM 728 ND1 HIS A 95 -10.705 55.712 66.611 1.00 0.00 ATOM 729 CE1 HIS A 95 -10.141 56.091 65.475 1.00 0.00 ATOM 730 NE2 HIS A 95 -8.920 55.575 65.441 1.00 0.00 ATOM 731 O HIS A 95 -10.898 52.011 66.189 1.00 0.00 ATOM 732 C HIS A 95 -10.651 51.957 67.414 1.00 0.00 ATOM 733 N GLY A 96 -9.787 50.935 67.874 1.00 0.00 ATOM 734 CA GLY A 96 -9.118 49.997 66.969 1.00 0.00 ATOM 735 O GLY A 96 -10.012 48.575 65.266 1.00 0.00 ATOM 736 C GLY A 96 -10.119 48.995 66.421 1.00 0.00 ATOM 737 N VAL A 97 -11.135 48.588 67.239 1.00 0.00 ATOM 738 CA VAL A 97 -12.152 47.625 66.825 1.00 0.00 ATOM 739 CB VAL A 97 -13.058 47.205 68.008 1.00 0.00 ATOM 740 CG1 VAL A 97 -14.193 46.256 67.589 1.00 0.00 ATOM 741 CG2 VAL A 97 -12.291 46.387 69.044 1.00 0.00 ATOM 742 O VAL A 97 -13.274 47.325 64.729 1.00 0.00 ATOM 743 C VAL A 97 -13.023 48.087 65.661 1.00 0.00 ATOM 744 N ILE A 98 -13.478 49.331 65.730 1.00 0.00 ATOM 745 CA ILE A 98 -14.278 49.910 64.627 1.00 0.00 ATOM 746 CB ILE A 98 -14.664 51.345 64.991 1.00 0.00 ATOM 747 CG1 ILE A 98 -15.662 51.389 66.147 1.00 0.00 ATOM 748 CG2 ILE A 98 -15.324 51.979 63.774 1.00 0.00 ATOM 749 CD1 ILE A 98 -15.812 52.780 66.761 1.00 0.00 ATOM 750 O ILE A 98 -14.003 49.402 62.299 1.00 0.00 ATOM 751 C ILE A 98 -13.486 49.835 63.327 1.00 0.00 ATOM 752 N PHE A 99 -12.204 50.252 63.364 1.00 0.00 ATOM 753 CA PHE A 99 -11.351 50.227 62.186 1.00 0.00 ATOM 754 CB PHE A 99 -10.003 50.867 62.518 1.00 0.00 ATOM 755 CG PHE A 99 -9.137 51.021 61.255 1.00 0.00 ATOM 756 CD1 PHE A 99 -9.079 52.243 60.605 1.00 0.00 ATOM 757 CD2 PHE A 99 -8.430 49.941 60.756 1.00 0.00 ATOM 758 CE1 PHE A 99 -8.274 52.392 59.482 1.00 0.00 ATOM 759 CE2 PHE A 99 -7.647 50.088 59.611 1.00 0.00 ATOM 760 CZ PHE A 99 -7.547 51.326 58.988 1.00 0.00 ATOM 761 O PHE A 99 -11.183 48.500 60.543 1.00 0.00 ATOM 762 C PHE A 99 -11.149 48.778 61.725 1.00 0.00 ATOM 763 N SER A 100 -10.932 47.749 62.673 1.00 0.00 ATOM 764 CA SER A 100 -10.740 46.338 62.330 1.00 0.00 ATOM 765 CB SER A 100 -10.428 45.501 63.556 1.00 0.00 ATOM 766 OG SER A 100 -10.328 44.128 63.210 1.00 0.00 ATOM 767 O SER A 100 -11.875 45.104 60.621 1.00 0.00 ATOM 768 C SER A 100 -11.988 45.772 61.650 1.00 0.00 ATOM 769 N ASP A 101 -13.141 46.046 62.218 1.00 0.00 ATOM 770 CA ASP A 101 -14.396 45.567 61.652 1.00 0.00 ATOM 771 CB ASP A 101 -15.523 45.739 62.679 1.00 0.00 ATOM 772 CG ASP A 101 -15.402 44.791 63.874 1.00 0.00 ATOM 773 OD1 ASP A 101 -14.729 43.745 63.737 1.00 0.00 ATOM 774 OD2 ASP A 101 -16.025 45.110 64.910 1.00 0.00 ATOM 775 O ASP A 101 -15.217 45.578 59.386 1.00 0.00 ATOM 776 C ASP A 101 -14.685 46.219 60.306 1.00 0.00 ATOM 777 N ALA A 102 -14.410 47.536 60.180 1.00 0.00 ATOM 778 CA ALA A 102 -14.667 48.262 58.945 1.00 0.00 ATOM 779 CB ALA A 102 -14.390 49.757 59.141 1.00 0.00 ATOM 780 O ALA A 102 -14.330 47.423 56.698 1.00 0.00 ATOM 781 C ALA A 102 -13.832 47.727 57.781 1.00 0.00 ATOM 782 N LYS A 103 -12.556 47.504 58.063 1.00 0.00 ATOM 783 CA LYS A 103 -11.571 47.089 57.034 1.00 0.00 ATOM 784 CB LYS A 103 -10.445 48.210 57.036 1.00 0.00 ATOM 785 CG LYS A 103 -9.395 48.062 55.931 1.00 0.00 ATOM 786 CD LYS A 103 -10.042 48.005 54.556 1.00 0.00 ATOM 787 CE LYS A 103 -9.028 48.263 53.455 1.00 0.00 ATOM 788 NZ LYS A 103 -9.596 47.943 52.138 1.00 0.00 ATOM 789 O LYS A 103 -10.688 45.075 56.068 1.00 0.00 ATOM 790 C LYS A 103 -11.254 45.593 57.033 1.00 0.00 ATOM 791 N ARG A 104 -11.667 44.831 58.122 1.00 0.00 ATOM 792 CA ARG A 104 -11.400 43.400 58.208 1.00 0.00 ATOM 793 CB ARG A 104 -12.267 42.582 57.254 1.00 0.00 ATOM 794 CG ARG A 104 -13.760 42.892 57.370 1.00 0.00 ATOM 795 CD ARG A 104 -14.554 42.144 56.297 1.00 0.00 ATOM 796 NE ARG A 104 -14.256 42.715 54.980 1.00 0.00 ATOM 797 CZ ARG A 104 -14.665 43.910 54.577 1.00 0.00 ATOM 798 NH1 ARG A 104 -15.450 44.724 55.265 1.00 0.00 ATOM 799 NH2 ARG A 104 -14.294 44.349 53.422 1.00 0.00 ATOM 800 O ARG A 104 -9.467 42.130 57.443 1.00 0.00 ATOM 801 C ARG A 104 -9.898 43.057 58.122 1.00 0.00 ATOM 802 N VAL A 105 -9.109 43.931 58.722 1.00 0.00 ATOM 803 CA VAL A 105 -7.642 43.781 58.832 1.00 0.00 ATOM 804 CB VAL A 105 -6.904 44.902 58.091 1.00 0.00 ATOM 805 CG1 VAL A 105 -6.992 44.707 56.576 1.00 0.00 ATOM 806 CG2 VAL A 105 -7.463 46.248 58.534 1.00 0.00 ATOM 807 O VAL A 105 -7.922 44.579 61.089 1.00 0.00 ATOM 808 C VAL A 105 -7.256 43.877 60.318 1.00 0.00 ATOM 809 N GLU A 106 -6.180 43.193 60.669 1.00 0.00 ATOM 810 CA GLU A 106 -5.680 43.237 62.046 1.00 0.00 ATOM 811 CB GLU A 106 -4.405 42.414 62.198 1.00 0.00 ATOM 812 CG GLU A 106 -3.895 42.319 63.644 1.00 0.00 ATOM 813 CD GLU A 106 -2.640 41.453 63.763 1.00 0.00 ATOM 814 OE1 GLU A 106 -2.260 40.813 62.746 1.00 0.00 ATOM 815 OE2 GLU A 106 -2.157 41.298 64.910 1.00 0.00 ATOM 816 O GLU A 106 -4.698 45.438 61.768 1.00 0.00 ATOM 817 C GLU A 106 -5.363 44.679 62.471 1.00 0.00 ATOM 818 N ASP A 107 -5.724 44.902 63.718 1.00 0.00 ATOM 819 CA ASP A 107 -5.426 46.179 64.365 1.00 0.00 ATOM 820 CB ASP A 107 -6.737 46.704 64.937 1.00 0.00 ATOM 821 CG ASP A 107 -6.610 48.168 65.299 1.00 0.00 ATOM 822 OD1 ASP A 107 -6.459 48.974 64.363 1.00 0.00 ATOM 823 OD2 ASP A 107 -6.531 48.430 66.522 1.00 0.00 ATOM 824 O ASP A 107 -4.427 44.948 66.188 1.00 0.00 ATOM 825 C ASP A 107 -4.395 45.954 65.478 1.00 0.00 ATOM 826 N ARG A 108 -3.416 46.844 65.503 1.00 0.00 ATOM 827 CA ARG A 108 -2.317 46.789 66.474 1.00 0.00 ATOM 828 CB ARG A 108 -1.138 45.990 65.782 1.00 0.00 ATOM 829 CG ARG A 108 -0.322 46.891 64.869 1.00 0.00 ATOM 830 CD ARG A 108 0.861 46.139 64.278 1.00 0.00 ATOM 831 NE ARG A 108 1.776 47.023 63.562 1.00 0.00 ATOM 832 CZ ARG A 108 2.896 46.620 62.974 1.00 0.00 ATOM 833 NH1 ARG A 108 3.244 45.340 63.014 1.00 0.00 ATOM 834 NH2 ARG A 108 3.673 47.491 62.348 1.00 0.00 ATOM 835 O ARG A 108 -2.007 49.171 66.630 1.00 0.00 ATOM 836 C ARG A 108 -2.166 48.109 67.235 1.00 0.00 ATOM 837 N MET A 109 -2.226 48.018 68.624 1.00 0.00 ATOM 838 CA MET A 109 -2.090 49.199 69.478 1.00 0.00 ATOM 839 CB MET A 109 -2.836 49.000 70.799 1.00 0.00 ATOM 840 CG MET A 109 -2.404 47.938 71.791 1.00 0.00 ATOM 841 SD MET A 109 -3.465 47.944 73.289 1.00 0.00 ATOM 842 CE MET A 109 -5.053 47.465 72.638 1.00 0.00 ATOM 843 O MET A 109 0.196 48.595 69.171 1.00 0.00 ATOM 844 C MET A 109 -0.612 49.498 69.209 1.00 0.00 ATOM 845 N ASN A 110 -0.213 50.862 69.102 1.00 0.00 ATOM 846 CA ASN A 110 1.186 51.239 68.999 1.00 0.00 ATOM 847 CB ASN A 110 1.728 51.165 67.559 1.00 0.00 ATOM 848 CG ASN A 110 3.224 51.399 67.475 1.00 0.00 ATOM 849 ND2 ASN A 110 3.989 50.587 68.191 1.00 0.00 ATOM 850 OD1 ASN A 110 3.686 52.302 66.774 1.00 0.00 ATOM 851 O ASN A 110 0.704 53.537 69.383 1.00 0.00 ATOM 852 C ASN A 110 1.533 52.631 69.477 1.00 0.00 ATOM 853 N ASP A 111 2.819 52.817 69.762 1.00 0.00 ATOM 854 CA ASP A 111 3.308 54.109 70.298 1.00 0.00 ATOM 855 CB ASP A 111 4.817 54.115 70.515 1.00 0.00 ATOM 856 CG ASP A 111 5.238 53.249 71.689 1.00 0.00 ATOM 857 OD1 ASP A 111 4.312 52.926 72.459 1.00 0.00 ATOM 858 OD2 ASP A 111 6.467 53.075 71.784 1.00 0.00 ATOM 859 O ASP A 111 3.333 55.279 68.185 1.00 0.00 ATOM 860 C ASP A 111 3.013 55.288 69.375 1.00 0.00 ATOM 861 N PRO A 112 2.385 56.363 69.911 1.00 0.00 ATOM 862 CA PRO A 112 2.113 57.562 69.095 1.00 0.00 ATOM 863 CB PRO A 112 1.456 58.517 70.095 1.00 0.00 ATOM 864 CG PRO A 112 0.879 57.648 71.159 1.00 0.00 ATOM 865 CD PRO A 112 1.860 56.493 71.288 1.00 0.00 ATOM 866 O PRO A 112 3.295 58.621 67.285 1.00 0.00 ATOM 867 C PRO A 112 3.365 58.087 68.397 1.00 0.00 ATOM 868 N PHE A 113 4.531 57.930 69.072 1.00 0.00 ATOM 869 CA PHE A 113 5.801 58.383 68.523 1.00 0.00 ATOM 870 CB PHE A 113 6.927 58.117 69.523 1.00 0.00 ATOM 871 CG PHE A 113 8.257 58.676 69.018 1.00 0.00 ATOM 872 CD1 PHE A 113 8.640 59.936 69.427 1.00 0.00 ATOM 873 CD2 PHE A 113 9.096 57.955 68.179 1.00 0.00 ATOM 874 CE1 PHE A 113 9.852 60.469 69.033 1.00 0.00 ATOM 875 CE2 PHE A 113 10.320 58.473 67.788 1.00 0.00 ATOM 876 CZ PHE A 113 10.696 59.737 68.212 1.00 0.00 ATOM 877 O PHE A 113 6.547 58.174 66.262 1.00 0.00 ATOM 878 C PHE A 113 6.103 57.598 67.254 1.00 0.00 ATOM 879 N ILE A 114 5.862 56.272 67.258 1.00 0.00 ATOM 880 CA ILE A 114 6.093 55.463 66.067 1.00 0.00 ATOM 881 CB ILE A 114 5.849 53.956 66.369 1.00 0.00 ATOM 882 CG1 ILE A 114 6.882 53.446 67.378 1.00 0.00 ATOM 883 CG2 ILE A 114 5.963 53.107 65.104 1.00 0.00 ATOM 884 CD1 ILE A 114 6.725 52.045 67.988 1.00 0.00 ATOM 885 O ILE A 114 5.623 55.951 63.765 1.00 0.00 ATOM 886 C ILE A 114 5.206 55.944 64.922 1.00 0.00 ATOM 887 N MET A 115 3.963 56.378 65.247 1.00 0.00 ATOM 888 CA MET A 115 3.037 56.870 64.231 1.00 0.00 ATOM 889 CB MET A 115 1.673 57.091 64.916 1.00 0.00 ATOM 890 CG MET A 115 1.026 55.801 65.448 1.00 0.00 ATOM 891 SD MET A 115 0.726 54.526 64.168 1.00 0.00 ATOM 892 CE MET A 115 2.166 53.513 64.434 1.00 0.00 ATOM 893 O MET A 115 3.171 58.400 62.352 1.00 0.00 ATOM 894 C MET A 115 3.516 58.141 63.506 1.00 0.00 ATOM 895 N SER A 116 4.269 59.029 64.279 1.00 0.00 ATOM 896 CA SER A 116 4.697 60.305 63.688 1.00 0.00 ATOM 897 CB SER A 116 4.598 61.442 64.683 1.00 0.00 ATOM 898 OG SER A 116 5.351 61.195 65.860 1.00 0.00 ATOM 899 O SER A 116 6.380 60.711 62.014 1.00 0.00 ATOM 900 C SER A 116 6.115 60.222 63.116 1.00 0.00 ATOM 901 N GLN A 117 7.025 59.619 63.870 1.00 0.00 ATOM 902 CA GLN A 117 8.385 59.475 63.330 1.00 0.00 ATOM 903 CB GLN A 117 9.472 59.260 64.375 1.00 0.00 ATOM 904 CG GLN A 117 10.834 59.707 63.854 1.00 0.00 ATOM 905 CD GLN A 117 10.945 61.228 63.733 1.00 0.00 ATOM 906 OE1 GLN A 117 11.786 61.755 63.057 1.00 0.00 ATOM 907 NE2 GLN A 117 10.137 61.954 64.470 1.00 0.00 ATOM 908 O GLN A 117 7.486 57.717 61.967 1.00 0.00 ATOM 909 C GLN A 117 8.394 58.535 62.130 1.00 0.00 ATOM 910 N ASN A 118 9.411 58.656 61.322 1.00 0.00 ATOM 911 CA ASN A 118 9.513 57.806 60.142 1.00 0.00 ATOM 912 CB ASN A 118 9.689 58.675 58.898 1.00 0.00 ATOM 913 CG ASN A 118 8.407 59.439 58.576 1.00 0.00 ATOM 914 ND2 ASN A 118 8.595 60.505 57.845 1.00 0.00 ATOM 915 OD1 ASN A 118 7.294 59.110 58.950 1.00 0.00 ATOM 916 O ASN A 118 10.776 55.919 59.345 1.00 0.00 ATOM 917 C ASN A 118 10.621 56.764 60.223 1.00 0.00 ATOM 918 N GLU A 119 11.387 56.811 61.308 1.00 0.00 ATOM 919 CA GLU A 119 12.462 55.851 61.535 1.00 0.00 ATOM 920 CB GLU A 119 13.783 56.494 61.132 1.00 0.00 ATOM 921 CG GLU A 119 14.880 55.433 61.059 1.00 0.00 ATOM 922 CD GLU A 119 16.276 56.060 61.073 1.00 0.00 ATOM 923 OE1 GLU A 119 16.562 56.725 62.089 1.00 0.00 ATOM 924 OE2 GLU A 119 17.096 55.585 60.282 1.00 0.00 ATOM 925 O GLU A 119 13.208 55.927 63.850 1.00 0.00 ATOM 926 C GLU A 119 12.443 55.459 63.007 1.00 0.00 ATOM 927 N VAL A 120 11.534 54.554 63.329 1.00 0.00 ATOM 928 CA VAL A 120 11.301 54.165 64.722 1.00 0.00 ATOM 929 CB VAL A 120 9.888 54.572 65.199 1.00 0.00 ATOM 930 CG1 VAL A 120 9.733 54.280 66.690 1.00 0.00 ATOM 931 CG2 VAL A 120 9.659 56.057 64.928 1.00 0.00 ATOM 932 O VAL A 120 10.597 52.016 63.993 1.00 0.00 ATOM 933 C VAL A 120 11.396 52.666 64.675 1.00 0.00 ATOM 934 N LYS A 121 12.361 52.109 65.401 1.00 0.00 ATOM 935 CA LYS A 121 12.572 50.663 65.360 1.00 0.00 ATOM 936 CB LYS A 121 13.955 50.357 64.797 1.00 0.00 ATOM 937 CG LYS A 121 14.152 50.894 63.381 1.00 0.00 ATOM 938 CD LYS A 121 15.592 50.753 62.922 1.00 0.00 ATOM 939 CE LYS A 121 15.779 51.318 61.526 1.00 0.00 ATOM 940 NZ LYS A 121 17.233 51.410 61.181 1.00 0.00 ATOM 941 O LYS A 121 13.489 50.657 67.575 1.00 0.00 ATOM 942 C LYS A 121 12.948 50.008 66.684 1.00 0.00 ATOM 943 N GLY A 122 12.636 48.721 66.791 1.00 0.00 ATOM 944 CA GLY A 122 12.965 47.943 67.971 1.00 0.00 ATOM 945 O GLY A 122 12.199 47.732 70.196 1.00 0.00 ATOM 946 C GLY A 122 11.903 48.035 69.048 1.00 0.00 ATOM 947 N LYS A 123 10.639 48.453 68.632 1.00 0.00 ATOM 948 CA LYS A 123 9.564 48.553 69.615 1.00 0.00 ATOM 949 CB LYS A 123 9.415 50.199 69.887 1.00 0.00 ATOM 950 CG LYS A 123 10.550 50.989 69.308 1.00 0.00 ATOM 951 CD LYS A 123 11.095 52.034 70.297 1.00 0.00 ATOM 952 CE LYS A 123 10.128 53.282 70.375 1.00 0.00 ATOM 953 NZ LYS A 123 10.588 54.425 71.286 1.00 0.00 ATOM 954 O LYS A 123 7.300 47.773 69.632 1.00 0.00 ATOM 955 C LYS A 123 8.440 47.622 69.193 1.00 0.00 ATOM 956 N LYS A 124 8.768 46.657 68.345 1.00 0.00 ATOM 957 CA LYS A 124 7.774 45.722 67.851 1.00 0.00 ATOM 958 CB LYS A 124 7.708 45.767 66.304 1.00 0.00 ATOM 959 CG LYS A 124 7.689 47.147 65.678 1.00 0.00 ATOM 960 CD LYS A 124 6.344 47.819 65.866 1.00 0.00 ATOM 961 CE LYS A 124 6.239 49.112 65.053 1.00 0.00 ATOM 962 NZ LYS A 124 7.217 50.117 65.511 1.00 0.00 ATOM 963 O LYS A 124 9.070 43.859 68.666 1.00 0.00 ATOM 964 C LYS A 124 7.953 44.291 68.338 1.00 0.00 ATOM 965 N VAL A 125 6.856 43.530 68.398 1.00 0.00 ATOM 966 CA VAL A 125 6.937 42.089 68.654 1.00 0.00 ATOM 967 CB VAL A 125 6.360 41.746 70.058 1.00 0.00 ATOM 968 CG1 VAL A 125 4.900 42.112 70.170 1.00 0.00 ATOM 969 CG2 VAL A 125 6.556 40.274 70.363 1.00 0.00 ATOM 970 O VAL A 125 5.026 41.642 67.263 1.00 0.00 ATOM 971 C VAL A 125 6.166 41.305 67.598 1.00 0.00 ATOM 972 N GLY A 126 6.813 40.303 67.087 1.00 0.00 ATOM 973 CA GLY A 126 6.181 39.468 66.080 1.00 0.00 ATOM 974 O GLY A 126 6.424 37.472 67.373 1.00 0.00 ATOM 975 C GLY A 126 5.660 38.214 66.752 1.00 0.00 ATOM 976 N VAL A 127 4.348 38.007 66.694 1.00 0.00 ATOM 977 CA VAL A 127 3.731 36.854 67.328 1.00 0.00 ATOM 978 CB VAL A 127 2.512 37.355 68.116 1.00 0.00 ATOM 979 CG1 VAL A 127 1.719 36.217 68.735 1.00 0.00 ATOM 980 CG2 VAL A 127 2.966 38.273 69.235 1.00 0.00 ATOM 981 O VAL A 127 2.309 36.156 65.539 1.00 0.00 ATOM 982 C VAL A 127 3.243 35.869 66.276 1.00 0.00 ATOM 983 N VAL A 128 3.828 34.681 66.310 1.00 0.00 ATOM 984 CA VAL A 128 3.475 33.619 65.356 1.00 0.00 ATOM 985 CB VAL A 128 4.736 33.313 64.525 1.00 0.00 ATOM 986 CG1 VAL A 128 4.485 32.232 63.475 1.00 0.00 ATOM 987 CG2 VAL A 128 5.159 34.557 63.756 1.00 0.00 ATOM 988 O VAL A 128 3.535 31.953 67.081 1.00 0.00 ATOM 989 C VAL A 128 2.947 32.387 66.095 1.00 0.00 ATOM 990 N GLY A 129 1.806 31.902 65.632 1.00 0.00 ATOM 991 CA GLY A 129 1.168 30.750 66.296 1.00 0.00 ATOM 992 O GLY A 129 -0.197 30.403 64.348 1.00 0.00 ATOM 993 C GLY A 129 0.220 29.955 65.414 1.00 0.00 ATOM 994 N HIS A 130 -0.013 28.735 65.868 1.00 0.00 ATOM 995 CA HIS A 130 -1.071 27.923 65.259 1.00 0.00 ATOM 996 CB HIS A 130 -0.847 26.436 65.533 1.00 0.00 ATOM 997 CG HIS A 130 -1.816 25.641 64.661 1.00 0.00 ATOM 998 CD2 HIS A 130 -2.757 24.816 65.073 1.00 0.00 ATOM 999 ND1 HIS A 130 -1.910 25.749 63.347 1.00 0.00 ATOM 1000 CE1 HIS A 130 -2.918 25.021 62.897 1.00 0.00 ATOM 1001 NE2 HIS A 130 -3.396 24.440 63.976 1.00 0.00 ATOM 1002 O HIS A 130 -3.439 28.405 65.047 1.00 0.00 ATOM 1003 C HIS A 130 -2.459 28.369 65.769 1.00 0.00 ATOM 1004 N PHE A 131 -2.502 28.771 67.035 1.00 0.00 ATOM 1005 CA PHE A 131 -3.741 29.238 67.682 1.00 0.00 ATOM 1006 CB PHE A 131 -3.918 28.593 69.074 1.00 0.00 ATOM 1007 CG PHE A 131 -4.184 27.120 69.058 1.00 0.00 ATOM 1008 CD1 PHE A 131 -3.262 26.232 69.551 1.00 0.00 ATOM 1009 CD2 PHE A 131 -5.352 26.616 68.519 1.00 0.00 ATOM 1010 CE1 PHE A 131 -3.507 24.872 69.536 1.00 0.00 ATOM 1011 CE2 PHE A 131 -5.599 25.262 68.488 1.00 0.00 ATOM 1012 CZ PHE A 131 -4.679 24.386 69.007 1.00 0.00 ATOM 1013 O PHE A 131 -2.673 31.377 67.871 1.00 0.00 ATOM 1014 C PHE A 131 -3.728 30.746 67.908 1.00 0.00 ATOM 1015 N PRO A 132 -4.953 31.355 68.217 1.00 0.00 ATOM 1016 CA PRO A 132 -5.049 32.798 68.448 1.00 0.00 ATOM 1017 CB PRO A 132 -6.552 33.033 68.586 1.00 0.00 ATOM 1018 CG PRO A 132 -7.155 31.920 67.784 1.00 0.00 ATOM 1019 CD PRO A 132 -6.293 30.750 68.178 1.00 0.00 ATOM 1020 O PRO A 132 -4.657 32.787 70.819 1.00 0.00 ATOM 1021 C PRO A 132 -4.440 33.338 69.739 1.00 0.00 ATOM 1022 N HIS A 133 -3.724 34.475 69.635 1.00 0.00 ATOM 1023 CA HIS A 133 -3.083 35.018 70.835 1.00 0.00 ATOM 1024 CB HIS A 133 -2.472 33.819 71.701 1.00 0.00 ATOM 1025 CG HIS A 133 -2.344 34.005 73.182 1.00 0.00 ATOM 1026 CD2 HIS A 133 -2.813 33.271 74.218 1.00 0.00 ATOM 1027 ND1 HIS A 133 -1.650 35.055 73.742 1.00 0.00 ATOM 1028 CE1 HIS A 133 -1.702 34.964 75.060 1.00 0.00 ATOM 1029 NE2 HIS A 133 -2.400 33.890 75.375 1.00 0.00 ATOM 1030 O HIS A 133 -1.196 36.329 70.264 1.00 0.00 ATOM 1031 C HIS A 133 -2.310 36.345 70.805 1.00 0.00 ATOM 1032 N LEU A 134 -2.931 37.358 71.493 1.00 0.00 ATOM 1033 CA LEU A 134 -2.287 38.688 71.551 1.00 0.00 ATOM 1034 CB LEU A 134 -2.658 39.155 69.898 1.00 0.00 ATOM 1035 CG LEU A 134 -3.812 40.169 69.941 1.00 0.00 ATOM 1036 CD1 LEU A 134 -4.079 40.700 68.539 1.00 0.00 ATOM 1037 CD2 LEU A 134 -5.068 39.541 70.531 1.00 0.00 ATOM 1038 O LEU A 134 -2.251 40.812 72.624 1.00 0.00 ATOM 1039 C LEU A 134 -2.850 39.753 72.486 1.00 0.00 ATOM 1040 N GLU A 135 -4.106 39.811 73.115 1.00 0.00 ATOM 1041 CA GLU A 135 -4.775 40.934 73.769 1.00 0.00 ATOM 1042 CB GLU A 135 -6.164 40.749 74.377 1.00 0.00 ATOM 1043 CG GLU A 135 -7.255 40.535 73.343 1.00 0.00 ATOM 1044 CD GLU A 135 -8.635 40.169 73.912 1.00 0.00 ATOM 1045 OE1 GLU A 135 -8.761 39.924 75.134 1.00 0.00 ATOM 1046 OE2 GLU A 135 -9.555 40.043 73.070 1.00 0.00 ATOM 1047 O GLU A 135 -3.651 42.573 75.138 1.00 0.00 ATOM 1048 C GLU A 135 -3.904 41.374 74.945 1.00 0.00 ATOM 1049 N SER A 136 -3.371 40.378 75.640 1.00 0.00 ATOM 1050 CA SER A 136 -2.442 40.635 76.736 1.00 0.00 ATOM 1051 CB SER A 136 -2.108 39.371 77.492 1.00 0.00 ATOM 1052 OG SER A 136 -1.092 38.598 76.891 1.00 0.00 ATOM 1053 O SER A 136 -0.654 42.186 76.824 1.00 0.00 ATOM 1054 C SER A 136 -1.154 41.259 76.172 1.00 0.00 ATOM 1055 N LEU A 137 -0.653 40.895 74.997 1.00 0.00 ATOM 1056 CA LEU A 137 0.490 41.585 74.399 1.00 0.00 ATOM 1057 CB LEU A 137 0.995 40.809 73.165 1.00 0.00 ATOM 1058 CG LEU A 137 1.730 39.485 73.435 1.00 0.00 ATOM 1059 CD1 LEU A 137 1.981 38.757 72.119 1.00 0.00 ATOM 1060 CD2 LEU A 137 3.046 39.755 74.160 1.00 0.00 ATOM 1061 O LEU A 137 1.029 43.922 74.218 1.00 0.00 ATOM 1062 C LEU A 137 0.182 43.040 74.051 1.00 0.00 ATOM 1063 N LEU A 138 -1.019 43.277 73.544 1.00 0.00 ATOM 1064 CA LEU A 138 -1.401 44.639 73.196 1.00 0.00 ATOM 1065 CB LEU A 138 -2.750 44.583 72.490 1.00 0.00 ATOM 1066 CG LEU A 138 -2.662 43.870 71.148 1.00 0.00 ATOM 1067 CD1 LEU A 138 -4.063 43.672 70.613 1.00 0.00 ATOM 1068 CD2 LEU A 138 -1.815 44.643 70.141 1.00 0.00 ATOM 1069 O LEU A 138 -0.946 46.652 74.420 1.00 0.00 ATOM 1070 C LEU A 138 -1.455 45.537 74.425 1.00 0.00 ATOM 1071 N GLU A 139 -2.069 45.030 75.503 1.00 0.00 ATOM 1072 CA GLU A 139 -2.172 45.808 76.734 1.00 0.00 ATOM 1073 CB GLU A 139 -2.912 45.023 77.822 1.00 0.00 ATOM 1074 CG GLU A 139 -4.341 44.578 77.552 1.00 0.00 ATOM 1075 CD GLU A 139 -4.924 43.648 78.636 1.00 0.00 ATOM 1076 OE1 GLU A 139 -4.154 43.075 79.421 1.00 0.00 ATOM 1077 OE2 GLU A 139 -6.151 43.454 78.632 1.00 0.00 ATOM 1078 O GLU A 139 -0.504 47.401 77.339 1.00 0.00 ATOM 1079 C GLU A 139 -0.756 46.214 77.205 1.00 0.00 ATOM 1080 N PRO A 140 0.188 45.304 77.359 1.00 0.00 ATOM 1081 CA PRO A 140 1.553 45.730 77.698 1.00 0.00 ATOM 1082 CB PRO A 140 2.237 44.393 78.052 1.00 0.00 ATOM 1083 CG PRO A 140 1.119 43.511 78.365 1.00 0.00 ATOM 1084 CD PRO A 140 0.075 43.871 77.389 1.00 0.00 ATOM 1085 O PRO A 140 2.545 46.127 75.529 1.00 0.00 ATOM 1086 C PRO A 140 2.279 46.563 76.646 1.00 0.00 ATOM 1087 N ILE A 141 1.831 48.011 76.488 1.00 0.00 ATOM 1088 CA ILE A 141 2.456 49.034 75.603 1.00 0.00 ATOM 1089 CB ILE A 141 3.501 49.970 76.236 1.00 0.00 ATOM 1090 CG1 ILE A 141 4.876 49.275 76.449 1.00 0.00 ATOM 1091 CG2 ILE A 141 2.879 50.645 77.447 1.00 0.00 ATOM 1092 CD1 ILE A 141 5.778 49.876 77.517 1.00 0.00 ATOM 1093 O ILE A 141 3.710 49.272 73.623 1.00 0.00 ATOM 1094 C ILE A 141 3.083 48.499 74.312 1.00 0.00 ATOM 1095 N CYS A 142 3.112 47.181 74.152 1.00 0.00 ATOM 1096 CA CYS A 142 3.730 46.563 72.982 1.00 0.00 ATOM 1097 CB CYS A 142 3.852 45.076 73.130 1.00 0.00 ATOM 1098 SG CYS A 142 4.924 44.572 74.527 1.00 0.00 ATOM 1099 O CYS A 142 1.621 46.783 71.855 1.00 0.00 ATOM 1100 C CYS A 142 2.846 46.667 71.751 1.00 0.00 ATOM 1101 N ASP A 143 3.512 46.605 70.609 1.00 0.00 ATOM 1102 CA ASP A 143 2.845 46.581 69.308 1.00 0.00 ATOM 1103 CB ASP A 143 3.504 47.588 68.417 1.00 0.00 ATOM 1104 CG ASP A 143 2.731 47.675 67.121 1.00 0.00 ATOM 1105 OD1 ASP A 143 2.027 46.696 66.785 1.00 0.00 ATOM 1106 OD2 ASP A 143 2.866 48.744 66.472 1.00 0.00 ATOM 1107 O ASP A 143 4.327 44.971 68.294 1.00 0.00 ATOM 1108 C ASP A 143 3.170 45.249 68.625 1.00 0.00 ATOM 1109 N LEU A 144 2.167 44.385 68.641 1.00 0.00 ATOM 1110 CA LEU A 144 2.386 43.045 68.100 1.00 0.00 ATOM 1111 CB LEU A 144 1.702 42.084 69.065 1.00 0.00 ATOM 1112 CG LEU A 144 1.786 40.644 68.650 1.00 0.00 ATOM 1113 CD1 LEU A 144 3.249 40.147 68.657 1.00 0.00 ATOM 1114 CD2 LEU A 144 0.824 39.826 69.531 1.00 0.00 ATOM 1115 O LEU A 144 0.638 43.218 66.444 1.00 0.00 ATOM 1116 C LEU A 144 1.775 42.860 66.721 1.00 0.00 ATOM 1117 N SER A 145 2.571 42.170 65.925 1.00 0.00 ATOM 1118 CA SER A 145 2.174 41.830 64.558 1.00 0.00 ATOM 1119 CB SER A 145 3.193 42.391 63.568 1.00 0.00 ATOM 1120 OG SER A 145 2.870 42.119 62.206 1.00 0.00 ATOM 1121 O SER A 145 3.044 39.621 64.804 1.00 0.00 ATOM 1122 C SER A 145 2.097 40.325 64.460 1.00 0.00 ATOM 1123 N ILE A 146 0.881 39.831 64.249 1.00 0.00 ATOM 1124 CA ILE A 146 0.608 38.383 64.349 1.00 0.00 ATOM 1125 CB ILE A 146 -0.679 38.087 65.146 1.00 0.00 ATOM 1126 CG1 ILE A 146 -0.559 38.596 66.594 1.00 0.00 ATOM 1127 CG2 ILE A 146 -0.976 36.592 65.089 1.00 0.00 ATOM 1128 CD1 ILE A 146 -1.931 38.774 67.310 1.00 0.00 ATOM 1129 O ILE A 146 -0.268 38.071 62.115 1.00 0.00 ATOM 1130 C ILE A 146 0.476 37.665 63.007 1.00 0.00 ATOM 1131 N LEU A 147 1.083 36.490 63.033 1.00 0.00 ATOM 1132 CA LEU A 147 0.960 35.481 61.974 1.00 0.00 ATOM 1133 CB LEU A 147 2.316 35.257 61.336 1.00 0.00 ATOM 1134 CG LEU A 147 2.860 36.560 60.751 1.00 0.00 ATOM 1135 CD1 LEU A 147 4.325 36.335 60.472 1.00 0.00 ATOM 1136 CD2 LEU A 147 2.159 36.972 59.453 1.00 0.00 ATOM 1137 O LEU A 147 1.005 33.559 63.410 1.00 0.00 ATOM 1138 C LEU A 147 0.384 34.199 62.556 1.00 0.00 ATOM 1139 N GLU A 148 -0.801 33.823 62.088 1.00 0.00 ATOM 1140 CA GLU A 148 -1.481 32.631 62.578 1.00 0.00 ATOM 1141 CB GLU A 148 -2.852 33.007 63.110 1.00 0.00 ATOM 1142 CG GLU A 148 -3.635 31.789 63.639 1.00 0.00 ATOM 1143 CD GLU A 148 -4.964 32.193 64.276 1.00 0.00 ATOM 1144 OE1 GLU A 148 -5.172 33.409 64.485 1.00 0.00 ATOM 1145 OE2 GLU A 148 -5.583 31.284 64.860 1.00 0.00 ATOM 1146 O GLU A 148 -2.188 32.012 60.357 1.00 0.00 ATOM 1147 C GLU A 148 -1.659 31.659 61.416 1.00 0.00 ATOM 1148 N TRP A 149 -1.238 30.436 61.696 1.00 0.00 ATOM 1149 CA TRP A 149 -1.567 29.287 60.852 1.00 0.00 ATOM 1150 CB TRP A 149 -0.426 28.280 60.813 1.00 0.00 ATOM 1151 CG TRP A 149 0.096 28.340 59.397 1.00 0.00 ATOM 1152 CD1 TRP A 149 1.165 29.044 59.043 1.00 0.00 ATOM 1153 CD2 TRP A 149 -0.516 27.847 58.257 1.00 0.00 ATOM 1154 CE2 TRP A 149 0.292 28.269 57.215 1.00 0.00 ATOM 1155 CE3 TRP A 149 -1.652 27.083 58.015 1.00 0.00 ATOM 1156 NE1 TRP A 149 1.277 29.002 57.718 1.00 0.00 ATOM 1157 CZ2 TRP A 149 -0.017 27.889 55.916 1.00 0.00 ATOM 1158 CZ3 TRP A 149 -1.963 26.725 56.709 1.00 0.00 ATOM 1159 CH2 TRP A 149 -1.147 27.128 55.655 1.00 0.00 ATOM 1160 O TRP A 149 -2.760 28.059 62.512 1.00 0.00 ATOM 1161 C TRP A 149 -2.797 28.600 61.415 1.00 0.00 ATOM 1162 N SER A 150 -3.885 28.640 60.675 1.00 0.00 ATOM 1163 CA SER A 150 -5.142 28.068 61.165 1.00 0.00 ATOM 1164 CB SER A 150 -6.076 29.203 61.573 1.00 0.00 ATOM 1165 OG SER A 150 -6.647 29.805 60.413 1.00 0.00 ATOM 1166 O SER A 150 -5.335 27.329 58.894 1.00 0.00 ATOM 1167 C SER A 150 -5.800 27.288 60.035 1.00 0.00 ATOM 1168 N PRO A 151 -6.958 26.571 60.349 1.00 0.00 ATOM 1169 CA PRO A 151 -7.613 25.819 59.277 1.00 0.00 ATOM 1170 CB PRO A 151 -8.743 25.098 60.004 1.00 0.00 ATOM 1171 CG PRO A 151 -8.172 24.880 61.371 1.00 0.00 ATOM 1172 CD PRO A 151 -7.527 26.216 61.662 1.00 0.00 ATOM 1173 O PRO A 151 -8.370 26.357 57.064 1.00 0.00 ATOM 1174 C PRO A 151 -8.112 26.774 58.192 1.00 0.00 ATOM 1175 N GLU A 152 -8.234 28.107 58.509 1.00 0.00 ATOM 1176 CA GLU A 152 -8.736 29.089 57.551 1.00 0.00 ATOM 1177 CB GLU A 152 -10.318 29.282 57.980 1.00 0.00 ATOM 1178 CG GLU A 152 -11.200 28.021 57.947 1.00 0.00 ATOM 1179 CD GLU A 152 -11.368 27.411 56.543 1.00 0.00 ATOM 1180 OE1 GLU A 152 -10.827 27.968 55.540 1.00 0.00 ATOM 1181 OE2 GLU A 152 -12.103 26.388 56.439 1.00 0.00 ATOM 1182 O GLU A 152 -8.088 31.021 56.281 1.00 0.00 ATOM 1183 C GLU A 152 -7.749 30.178 57.105 1.00 0.00 ATOM 1184 N GLU A 153 -6.535 30.138 57.625 1.00 0.00 ATOM 1185 CA GLU A 153 -5.570 31.156 57.235 1.00 0.00 ATOM 1186 CB GLU A 153 -5.864 32.498 57.993 1.00 0.00 ATOM 1187 CG GLU A 153 -5.573 32.573 59.549 1.00 0.00 ATOM 1188 CD GLU A 153 -6.766 32.146 60.477 1.00 0.00 ATOM 1189 OE1 GLU A 153 -7.944 32.149 60.052 1.00 0.00 ATOM 1190 OE2 GLU A 153 -6.523 31.833 61.665 1.00 0.00 ATOM 1191 O GLU A 153 -3.688 29.940 58.154 1.00 0.00 ATOM 1192 C GLU A 153 -4.143 30.629 57.232 1.00 0.00 ATOM 1193 N GLY A 154 -3.447 30.938 56.021 1.00 0.00 ATOM 1194 CA GLY A 154 -2.036 30.564 55.869 1.00 0.00 ATOM 1195 O GLY A 154 -1.615 32.455 54.475 1.00 0.00 ATOM 1196 C GLY A 154 -1.278 31.809 55.463 1.00 0.00 ATOM 1197 N ASP A 155 -0.278 32.171 56.241 1.00 0.00 ATOM 1198 CA ASP A 155 0.524 33.348 55.938 1.00 0.00 ATOM 1199 CB ASP A 155 1.225 33.891 57.178 1.00 0.00 ATOM 1200 CG ASP A 155 2.240 32.893 57.762 1.00 0.00 ATOM 1201 OD1 ASP A 155 3.258 32.605 57.075 1.00 0.00 ATOM 1202 OD2 ASP A 155 1.979 32.370 58.855 1.00 0.00 ATOM 1203 O ASP A 155 2.156 31.868 54.983 1.00 0.00 ATOM 1204 C ASP A 155 1.605 32.959 54.951 1.00 0.00 ATOM 1205 N TYR A 156 2.029 33.941 54.138 1.00 0.00 ATOM 1206 CA TYR A 156 3.190 33.775 53.309 1.00 0.00 ATOM 1207 CB TYR A 156 3.221 34.785 52.167 1.00 0.00 ATOM 1208 CG TYR A 156 1.905 34.968 51.435 1.00 0.00 ATOM 1209 CD1 TYR A 156 1.308 33.835 50.942 1.00 0.00 ATOM 1210 CD2 TYR A 156 1.318 36.218 51.267 1.00 0.00 ATOM 1211 CE1 TYR A 156 0.111 33.937 50.267 1.00 0.00 ATOM 1212 CE2 TYR A 156 0.119 36.319 50.583 1.00 0.00 ATOM 1213 CZ TYR A 156 -0.488 35.178 50.089 1.00 0.00 ATOM 1214 OH TYR A 156 -1.656 35.246 49.412 1.00 0.00 ATOM 1215 O TYR A 156 4.662 34.532 55.093 1.00 0.00 ATOM 1216 C TYR A 156 4.464 33.733 54.167 1.00 0.00 ATOM 1217 N PRO A 157 5.356 32.795 53.864 1.00 0.00 ATOM 1218 CA PRO A 157 6.632 32.666 54.583 1.00 0.00 ATOM 1219 CB PRO A 157 7.310 31.509 53.914 1.00 0.00 ATOM 1220 CG PRO A 157 6.146 30.620 53.477 1.00 0.00 ATOM 1221 CD PRO A 157 5.125 31.631 52.986 1.00 0.00 ATOM 1222 O PRO A 157 8.183 34.300 55.320 1.00 0.00 ATOM 1223 C PRO A 157 7.514 33.899 54.386 1.00 0.00 ATOM 1224 N LEU A 158 7.522 34.463 53.185 1.00 0.00 ATOM 1225 CA LEU A 158 8.283 35.707 52.921 1.00 0.00 ATOM 1226 CB LEU A 158 8.113 36.221 51.486 1.00 0.00 ATOM 1227 CG LEU A 158 8.733 35.314 50.439 1.00 0.00 ATOM 1228 CD1 LEU A 158 8.210 35.709 49.063 1.00 0.00 ATOM 1229 CD2 LEU A 158 10.256 35.307 50.480 1.00 0.00 ATOM 1230 O LEU A 158 8.772 37.508 54.433 1.00 0.00 ATOM 1231 C LEU A 158 7.898 36.821 53.894 1.00 0.00 ATOM 1232 N PRO A 159 6.557 37.080 54.163 1.00 0.00 ATOM 1233 CA PRO A 159 6.141 38.129 55.101 1.00 0.00 ATOM 1234 CB PRO A 159 4.622 38.084 55.009 1.00 0.00 ATOM 1235 CG PRO A 159 4.402 37.745 53.567 1.00 0.00 ATOM 1236 CD PRO A 159 5.411 36.631 53.349 1.00 0.00 ATOM 1237 O PRO A 159 7.178 38.768 57.174 1.00 0.00 ATOM 1238 C PRO A 159 6.650 37.864 56.523 1.00 0.00 ATOM 1239 N ALA A 160 6.475 36.626 57.018 1.00 0.00 ATOM 1240 CA ALA A 160 6.925 36.241 58.349 1.00 0.00 ATOM 1241 CB ALA A 160 6.606 34.756 58.606 1.00 0.00 ATOM 1242 O ALA A 160 9.003 36.842 59.391 1.00 0.00 ATOM 1243 C ALA A 160 8.438 36.331 58.411 1.00 0.00 ATOM 1244 N SER A 161 9.093 35.879 57.334 1.00 0.00 ATOM 1245 CA SER A 161 10.547 35.931 57.237 1.00 0.00 ATOM 1246 CB SER A 161 11.023 35.201 55.981 1.00 0.00 ATOM 1247 OG SER A 161 10.724 33.798 56.064 1.00 0.00 ATOM 1248 O SER A 161 12.020 37.724 57.908 1.00 0.00 ATOM 1249 C SER A 161 11.050 37.371 57.215 1.00 0.00 ATOM 1250 N GLU A 162 10.397 38.191 56.412 1.00 0.00 ATOM 1251 CA GLU A 162 10.786 39.590 56.292 1.00 0.00 ATOM 1252 CB GLU A 162 9.889 40.268 55.260 1.00 0.00 ATOM 1253 CG GLU A 162 10.423 41.670 54.974 1.00 0.00 ATOM 1254 CD GLU A 162 9.564 42.469 54.020 1.00 0.00 ATOM 1255 OE1 GLU A 162 9.137 41.852 53.010 1.00 0.00 ATOM 1256 OE2 GLU A 162 9.513 43.708 54.168 1.00 0.00 ATOM 1257 O GLU A 162 11.378 41.221 57.950 1.00 0.00 ATOM 1258 C GLU A 162 10.591 40.339 57.609 1.00 0.00 ATOM 1259 N PHE A 163 9.555 39.994 58.354 1.00 0.00 ATOM 1260 CA PHE A 163 9.263 40.641 59.630 1.00 0.00 ATOM 1261 CB PHE A 163 7.920 40.143 60.123 1.00 0.00 ATOM 1262 CG PHE A 163 6.716 40.682 59.361 1.00 0.00 ATOM 1263 CD1 PHE A 163 6.836 41.708 58.426 1.00 0.00 ATOM 1264 CD2 PHE A 163 5.465 40.109 59.576 1.00 0.00 ATOM 1265 CE1 PHE A 163 5.745 42.163 57.718 1.00 0.00 ATOM 1266 CE2 PHE A 163 4.365 40.554 58.855 1.00 0.00 ATOM 1267 CZ PHE A 163 4.515 41.580 57.932 1.00 0.00 ATOM 1268 O PHE A 163 10.803 41.259 61.401 1.00 0.00 ATOM 1269 C PHE A 163 10.341 40.370 60.681 1.00 0.00 ATOM 1270 N ILE A 164 10.736 39.105 60.708 1.00 0.00 ATOM 1271 CA ILE A 164 11.746 38.645 61.683 1.00 0.00 ATOM 1272 CB ILE A 164 11.882 37.128 61.813 1.00 0.00 ATOM 1273 CG1 ILE A 164 10.559 36.474 62.233 1.00 0.00 ATOM 1274 CG2 ILE A 164 13.041 36.771 62.770 1.00 0.00 ATOM 1275 CD1 ILE A 164 10.137 36.796 63.656 1.00 0.00 ATOM 1276 O ILE A 164 13.818 39.640 62.313 1.00 0.00 ATOM 1277 C ILE A 164 13.136 39.190 61.397 1.00 0.00 ATOM 1278 N LEU A 165 13.617 39.117 60.131 1.00 0.00 ATOM 1279 CA LEU A 165 15.016 39.437 59.906 1.00 0.00 ATOM 1280 CB LEU A 165 15.372 39.052 58.459 1.00 0.00 ATOM 1281 CG LEU A 165 16.852 39.203 58.129 1.00 0.00 ATOM 1282 CD1 LEU A 165 17.685 38.208 58.948 1.00 0.00 ATOM 1283 CD2 LEU A 165 17.076 38.942 56.652 1.00 0.00 ATOM 1284 O LEU A 165 16.181 41.116 61.154 1.00 0.00 ATOM 1285 C LEU A 165 15.329 40.886 60.298 1.00 0.00 ATOM 1286 N PRO A 166 14.535 41.857 59.952 1.00 0.00 ATOM 1287 CA PRO A 166 14.818 43.257 60.289 1.00 0.00 ATOM 1288 CB PRO A 166 13.907 44.042 59.342 1.00 0.00 ATOM 1289 CG PRO A 166 13.703 43.093 58.183 1.00 0.00 ATOM 1290 CD PRO A 166 13.509 41.780 58.899 1.00 0.00 ATOM 1291 O PRO A 166 15.632 43.933 62.356 1.00 0.00 ATOM 1292 C PRO A 166 14.601 43.715 61.727 1.00 0.00 ATOM 1293 N GLU A 167 13.293 44.048 62.168 1.00 0.00 ATOM 1294 CA GLU A 167 12.980 45.249 62.971 1.00 0.00 ATOM 1295 CB GLU A 167 12.385 46.355 61.932 1.00 0.00 ATOM 1296 CG GLU A 167 12.044 47.671 62.693 1.00 0.00 ATOM 1297 CD GLU A 167 11.497 48.795 61.788 1.00 0.00 ATOM 1298 OE1 GLU A 167 11.155 49.766 62.409 1.00 0.00 ATOM 1299 OE2 GLU A 167 11.438 48.667 60.577 1.00 0.00 ATOM 1300 O GLU A 167 12.184 45.752 65.145 1.00 0.00 ATOM 1301 C GLU A 167 12.266 44.910 64.267 1.00 0.00 ATOM 1302 N CYS A 168 11.749 43.832 64.477 1.00 0.00 ATOM 1303 CA CYS A 168 11.029 43.431 65.751 1.00 0.00 ATOM 1304 CB CYS A 168 10.487 41.988 65.583 1.00 0.00 ATOM 1305 SG CYS A 168 9.052 41.831 64.482 1.00 0.00 ATOM 1306 O CYS A 168 12.939 42.809 67.042 1.00 0.00 ATOM 1307 C CYS A 168 11.923 43.456 66.992 1.00 0.00 ATOM 1308 N ASP A 169 11.537 44.123 68.040 1.00 0.00 ATOM 1309 CA ASP A 169 12.268 44.046 69.325 1.00 0.00 ATOM 1310 CB ASP A 169 11.176 44.611 70.436 1.00 0.00 ATOM 1311 CG ASP A 169 11.650 45.151 71.750 1.00 0.00 ATOM 1312 OD1 ASP A 169 12.753 44.792 72.243 1.00 0.00 ATOM 1313 OD2 ASP A 169 10.865 45.917 72.384 1.00 0.00 ATOM 1314 O ASP A 169 13.186 42.265 70.586 1.00 0.00 ATOM 1315 C ASP A 169 12.205 42.623 69.951 1.00 0.00 ATOM 1316 N TYR A 170 11.138 41.917 69.715 1.00 0.00 ATOM 1317 CA TYR A 170 11.022 40.515 70.187 1.00 0.00 ATOM 1318 CB TYR A 170 10.452 40.283 71.579 1.00 0.00 ATOM 1319 CG TYR A 170 9.808 41.441 72.304 1.00 0.00 ATOM 1320 CD1 TYR A 170 10.549 42.112 73.218 1.00 0.00 ATOM 1321 CD2 TYR A 170 8.467 41.696 72.213 1.00 0.00 ATOM 1322 CE1 TYR A 170 9.974 43.069 74.014 1.00 0.00 ATOM 1323 CE2 TYR A 170 7.882 42.639 73.058 1.00 0.00 ATOM 1324 CZ TYR A 170 8.637 43.353 73.935 1.00 0.00 ATOM 1325 OH TYR A 170 8.054 44.370 74.626 1.00 0.00 ATOM 1326 O TYR A 170 9.226 40.336 68.601 1.00 0.00 ATOM 1327 C TYR A 170 10.052 39.755 69.300 1.00 0.00 ATOM 1328 N VAL A 171 10.096 38.454 69.531 1.00 0.00 ATOM 1329 CA VAL A 171 9.161 37.491 68.956 1.00 0.00 ATOM 1330 CB VAL A 171 9.997 36.522 68.125 1.00 0.00 ATOM 1331 CG1 VAL A 171 9.125 35.440 67.518 1.00 0.00 ATOM 1332 CG2 VAL A 171 10.788 37.240 67.026 1.00 0.00 ATOM 1333 O VAL A 171 9.063 36.412 71.111 1.00 0.00 ATOM 1334 C VAL A 171 8.450 36.751 70.105 1.00 0.00 ATOM 1335 N TYR A 172 7.214 36.370 69.814 1.00 0.00 ATOM 1336 CA TYR A 172 6.501 35.391 70.628 1.00 0.00 ATOM 1337 CB TYR A 172 5.380 36.104 71.358 1.00 0.00 ATOM 1338 CG TYR A 172 4.366 35.249 72.117 1.00 0.00 ATOM 1339 CD1 TYR A 172 4.621 34.790 73.378 1.00 0.00 ATOM 1340 CD2 TYR A 172 3.139 34.986 71.555 1.00 0.00 ATOM 1341 CE1 TYR A 172 3.662 34.069 74.067 1.00 0.00 ATOM 1342 CE2 TYR A 172 2.169 34.266 72.226 1.00 0.00 ATOM 1343 CZ TYR A 172 2.426 33.798 73.498 1.00 0.00 ATOM 1344 OH TYR A 172 1.419 33.124 74.131 1.00 0.00 ATOM 1345 O TYR A 172 5.693 34.565 68.508 1.00 0.00 ATOM 1346 C TYR A 172 6.012 34.313 69.679 1.00 0.00 ATOM 1347 N ILE A 173 6.090 33.095 70.182 1.00 0.00 ATOM 1348 CA ILE A 173 5.663 31.926 69.412 1.00 0.00 ATOM 1349 CB ILE A 173 6.820 30.993 69.017 1.00 0.00 ATOM 1350 CG1 ILE A 173 7.920 31.727 68.240 1.00 0.00 ATOM 1351 CG2 ILE A 173 6.315 29.831 68.153 1.00 0.00 ATOM 1352 CD1 ILE A 173 7.464 32.324 66.903 1.00 0.00 ATOM 1353 O ILE A 173 4.821 30.963 71.449 1.00 0.00 ATOM 1354 C ILE A 173 4.654 31.140 70.243 1.00 0.00 ATOM 1355 N THR A 174 3.661 30.696 69.579 1.00 0.00 ATOM 1356 CA THR A 174 2.666 29.850 70.224 1.00 0.00 ATOM 1357 CB THR A 174 1.459 30.448 70.915 1.00 0.00 ATOM 1358 CG2 THR A 174 0.236 29.532 71.024 1.00 0.00 ATOM 1359 OG1 THR A 174 1.999 30.632 72.203 1.00 0.00 ATOM 1360 O THR A 174 1.940 28.621 68.267 1.00 0.00 ATOM 1361 C THR A 174 2.430 28.608 69.390 1.00 0.00 ATOM 1362 N CYS A 175 2.663 27.536 70.135 1.00 0.00 ATOM 1363 CA CYS A 175 2.897 26.215 69.585 1.00 0.00 ATOM 1364 CB CYS A 175 3.987 25.507 70.427 1.00 0.00 ATOM 1365 SG CYS A 175 5.598 26.327 70.405 1.00 0.00 ATOM 1366 O CYS A 175 0.806 25.487 70.493 1.00 0.00 ATOM 1367 C CYS A 175 1.623 25.394 69.565 1.00 0.00 ATOM 1368 N ALA A 176 1.453 24.585 68.527 1.00 0.00 ATOM 1369 CA ALA A 176 0.455 23.519 68.493 1.00 0.00 ATOM 1370 CB ALA A 176 -0.911 24.012 68.197 1.00 0.00 ATOM 1371 O ALA A 176 0.866 21.324 67.582 1.00 0.00 ATOM 1372 C ALA A 176 0.943 22.546 67.416 1.00 0.00 ATOM 1373 N SER A 177 1.484 23.033 66.189 1.00 0.00 ATOM 1374 CA SER A 177 1.936 22.191 65.078 1.00 0.00 ATOM 1375 CB SER A 177 0.845 21.001 64.897 1.00 0.00 ATOM 1376 OG SER A 177 -0.355 21.498 64.356 1.00 0.00 ATOM 1377 O SER A 177 3.256 22.299 63.115 1.00 0.00 ATOM 1378 C SER A 177 2.203 22.674 63.656 1.00 0.00 ATOM 1379 N VAL A 178 1.373 23.258 62.982 1.00 0.00 ATOM 1380 CA VAL A 178 1.579 23.680 61.559 1.00 0.00 ATOM 1381 CB VAL A 178 0.232 24.223 60.982 1.00 0.00 ATOM 1382 CG1 VAL A 178 0.436 24.807 59.573 1.00 0.00 ATOM 1383 CG2 VAL A 178 -0.857 23.157 60.965 1.00 0.00 ATOM 1384 O VAL A 178 3.421 24.713 60.390 1.00 0.00 ATOM 1385 C VAL A 178 2.789 24.561 61.447 1.00 0.00 ATOM 1386 N VAL A 179 3.119 25.228 62.664 1.00 0.00 ATOM 1387 CA VAL A 179 4.255 26.114 62.733 1.00 0.00 ATOM 1388 CB VAL A 179 3.716 27.276 63.823 1.00 0.00 ATOM 1389 CG1 VAL A 179 4.836 28.260 64.132 1.00 0.00 ATOM 1390 CG2 VAL A 179 2.484 28.010 63.318 1.00 0.00 ATOM 1391 O VAL A 179 6.607 26.110 62.574 1.00 0.00 ATOM 1392 C VAL A 179 5.583 25.423 62.577 1.00 0.00 ATOM 1393 N ASP A 180 5.508 24.118 62.383 1.00 0.00 ATOM 1394 CA ASP A 180 6.667 23.380 61.925 1.00 0.00 ATOM 1395 CB ASP A 180 6.332 21.958 61.524 1.00 0.00 ATOM 1396 CG ASP A 180 6.061 21.075 62.737 1.00 0.00 ATOM 1397 OD1 ASP A 180 6.724 21.269 63.779 1.00 0.00 ATOM 1398 OD2 ASP A 180 5.200 20.177 62.650 1.00 0.00 ATOM 1399 O ASP A 180 8.512 24.255 60.610 1.00 0.00 ATOM 1400 C ASP A 180 7.297 24.058 60.702 1.00 0.00 ATOM 1401 N LYS A 181 6.448 24.430 59.675 1.00 0.00 ATOM 1402 CA LYS A 181 6.933 25.089 58.464 1.00 0.00 ATOM 1403 CB LYS A 181 5.747 25.356 57.561 1.00 0.00 ATOM 1404 CG LYS A 181 5.162 24.047 57.053 1.00 0.00 ATOM 1405 CD LYS A 181 4.169 24.362 55.949 1.00 0.00 ATOM 1406 CE LYS A 181 3.693 23.038 55.400 1.00 0.00 ATOM 1407 NZ LYS A 181 2.606 23.360 54.500 1.00 0.00 ATOM 1408 O LYS A 181 8.548 26.871 58.221 1.00 0.00 ATOM 1409 C LYS A 181 7.521 26.455 58.776 1.00 0.00 ATOM 1410 N THR A 182 6.876 27.241 59.674 1.00 0.00 ATOM 1411 CA THR A 182 7.339 28.577 60.022 1.00 0.00 ATOM 1412 CB THR A 182 6.262 29.171 60.940 1.00 0.00 ATOM 1413 CG2 THR A 182 6.540 30.650 61.201 1.00 0.00 ATOM 1414 OG1 THR A 182 4.976 29.093 60.324 1.00 0.00 ATOM 1415 O THR A 182 9.479 29.548 60.510 1.00 0.00 ATOM 1416 C THR A 182 8.680 28.644 60.751 1.00 0.00 ATOM 1417 N LEU A 183 8.942 27.714 61.680 1.00 0.00 ATOM 1418 CA LEU A 183 10.183 27.683 62.447 1.00 0.00 ATOM 1419 CB LEU A 183 10.130 26.710 63.631 1.00 0.00 ATOM 1420 CG LEU A 183 9.131 27.022 64.740 1.00 0.00 ATOM 1421 CD1 LEU A 183 9.088 25.850 65.711 1.00 0.00 ATOM 1422 CD2 LEU A 183 9.587 28.263 65.492 1.00 0.00 ATOM 1423 O LEU A 183 12.347 28.173 61.622 1.00 0.00 ATOM 1424 C LEU A 183 11.401 27.406 61.562 1.00 0.00 ATOM 1425 N PRO A 184 11.396 26.389 60.659 1.00 0.00 ATOM 1426 CA PRO A 184 12.556 26.165 59.811 1.00 0.00 ATOM 1427 CB PRO A 184 12.194 24.890 59.042 1.00 0.00 ATOM 1428 CG PRO A 184 11.264 24.163 59.954 1.00 0.00 ATOM 1429 CD PRO A 184 10.408 25.296 60.523 1.00 0.00 ATOM 1430 O PRO A 184 14.013 27.701 58.694 1.00 0.00 ATOM 1431 C PRO A 184 12.851 27.357 58.910 1.00 0.00 ATOM 1432 N ARG A 185 11.803 27.970 58.416 1.00 0.00 ATOM 1433 CA ARG A 185 12.001 29.115 57.535 1.00 0.00 ATOM 1434 CB ARG A 185 10.727 29.530 56.823 1.00 0.00 ATOM 1435 CG ARG A 185 10.338 28.497 55.786 1.00 0.00 ATOM 1436 CD ARG A 185 9.192 28.996 54.904 1.00 0.00 ATOM 1437 NE ARG A 185 8.085 29.423 55.763 1.00 0.00 ATOM 1438 CZ ARG A 185 7.033 28.694 56.072 1.00 0.00 ATOM 1439 NH1 ARG A 185 6.877 27.482 55.646 1.00 0.00 ATOM 1440 NH2 ARG A 185 6.031 29.180 56.730 1.00 0.00 ATOM 1441 O ARG A 185 13.502 30.982 57.769 1.00 0.00 ATOM 1442 C ARG A 185 12.653 30.266 58.305 1.00 0.00 ATOM 1443 N LEU A 186 12.255 30.465 59.569 1.00 0.00 ATOM 1444 CA LEU A 186 12.846 31.519 60.386 1.00 0.00 ATOM 1445 CB LEU A 186 12.142 31.533 61.758 1.00 0.00 ATOM 1446 CG LEU A 186 12.719 32.557 62.726 1.00 0.00 ATOM 1447 CD1 LEU A 186 12.528 33.911 62.082 1.00 0.00 ATOM 1448 CD2 LEU A 186 11.962 32.580 64.049 1.00 0.00 ATOM 1449 O LEU A 186 15.174 32.108 60.531 1.00 0.00 ATOM 1450 C LEU A 186 14.329 31.212 60.577 1.00 0.00 ATOM 1451 N LEU A 187 14.650 29.934 60.796 1.00 0.00 ATOM 1452 CA LEU A 187 16.034 29.522 60.980 1.00 0.00 ATOM 1453 CB LEU A 187 16.197 28.070 61.374 1.00 0.00 ATOM 1454 CG LEU A 187 17.639 27.600 61.514 1.00 0.00 ATOM 1455 CD1 LEU A 187 18.400 28.443 62.568 1.00 0.00 ATOM 1456 CD2 LEU A 187 17.649 26.123 61.967 1.00 0.00 ATOM 1457 O LEU A 187 17.990 30.161 59.752 1.00 0.00 ATOM 1458 C LEU A 187 16.844 29.720 59.704 1.00 0.00 ATOM 1459 N GLU A 188 16.230 29.400 58.577 1.00 0.00 ATOM 1460 CA GLU A 188 16.915 29.513 57.290 1.00 0.00 ATOM 1461 CB GLU A 188 16.066 28.762 56.276 1.00 0.00 ATOM 1462 CG GLU A 188 16.122 27.238 56.398 1.00 0.00 ATOM 1463 CD GLU A 188 15.198 26.575 55.383 1.00 0.00 ATOM 1464 OE1 GLU A 188 14.499 27.311 54.654 1.00 0.00 ATOM 1465 OE2 GLU A 188 15.179 25.330 55.380 1.00 0.00 ATOM 1466 O GLU A 188 18.218 31.231 56.291 1.00 0.00 ATOM 1467 C GLU A 188 17.137 30.942 56.782 1.00 0.00 ATOM 1468 N LEU A 189 16.140 31.822 56.983 1.00 0.00 ATOM 1469 CA LEU A 189 16.127 33.166 56.378 1.00 0.00 ATOM 1470 CB LEU A 189 14.771 33.395 55.682 1.00 0.00 ATOM 1471 CG LEU A 189 14.439 32.350 54.603 1.00 0.00 ATOM 1472 CD1 LEU A 189 12.998 32.546 54.139 1.00 0.00 ATOM 1473 CD2 LEU A 189 15.430 32.428 53.440 1.00 0.00 ATOM 1474 O LEU A 189 16.984 35.306 57.092 1.00 0.00 ATOM 1475 C LEU A 189 16.353 34.305 57.388 1.00 0.00 ATOM 1476 N SER A 190 15.807 34.110 58.586 1.00 0.00 ATOM 1477 CA SER A 190 15.705 35.173 59.601 1.00 0.00 ATOM 1478 CB SER A 190 14.236 35.574 59.747 1.00 0.00 ATOM 1479 OG SER A 190 13.634 35.880 58.499 1.00 0.00 ATOM 1480 O SER A 190 15.673 35.044 62.031 1.00 0.00 ATOM 1481 C SER A 190 16.283 34.813 60.978 1.00 0.00 ATOM 1482 N ARG A 191 17.514 34.325 60.941 1.00 0.00 ATOM 1483 CA ARG A 191 18.237 33.882 62.145 1.00 0.00 ATOM 1484 CB ARG A 191 19.227 32.790 61.768 1.00 0.00 ATOM 1485 CG ARG A 191 19.900 32.217 63.012 1.00 0.00 ATOM 1486 CD ARG A 191 20.634 30.956 62.610 1.00 0.00 ATOM 1487 NE ARG A 191 21.414 30.425 63.731 1.00 0.00 ATOM 1488 CZ ARG A 191 22.177 29.334 63.666 1.00 0.00 ATOM 1489 NH1 ARG A 191 22.840 28.890 64.708 1.00 0.00 ATOM 1490 NH2 ARG A 191 22.334 28.689 62.553 1.00 0.00 ATOM 1491 O ARG A 191 19.783 35.689 62.448 1.00 0.00 ATOM 1492 C ARG A 191 18.790 35.098 62.877 1.00 0.00 ATOM 1493 N ASN A 192 18.132 35.561 64.016 1.00 0.00 ATOM 1494 CA ASN A 192 18.478 36.769 64.750 1.00 0.00 ATOM 1495 CB ASN A 192 17.369 37.796 64.546 1.00 0.00 ATOM 1496 CG ASN A 192 17.238 38.186 63.087 1.00 0.00 ATOM 1497 ND2 ASN A 192 16.176 37.923 62.407 1.00 0.00 ATOM 1498 OD1 ASN A 192 18.196 38.365 62.423 1.00 0.00 ATOM 1499 O ASN A 192 17.833 35.768 66.803 1.00 0.00 ATOM 1500 C ASN A 192 18.602 36.546 66.245 1.00 0.00 ATOM 1501 N ALA A 193 19.440 37.343 66.901 1.00 0.00 ATOM 1502 CA ALA A 193 19.489 37.320 68.385 1.00 0.00 ATOM 1503 CB ALA A 193 20.829 37.707 69.014 1.00 0.00 ATOM 1504 O ALA A 193 18.629 39.348 69.394 1.00 0.00 ATOM 1505 C ALA A 193 18.409 38.212 68.993 1.00 0.00 ATOM 1506 N ARG A 194 17.216 37.653 69.042 1.00 0.00 ATOM 1507 CA ARG A 194 16.030 38.328 69.601 1.00 0.00 ATOM 1508 CB ARG A 194 14.901 38.422 68.583 1.00 0.00 ATOM 1509 CG ARG A 194 15.328 39.144 67.328 1.00 0.00 ATOM 1510 CD ARG A 194 14.285 38.916 66.241 1.00 0.00 ATOM 1511 NE ARG A 194 14.699 39.702 65.082 1.00 0.00 ATOM 1512 CZ ARG A 194 14.785 41.036 64.961 1.00 0.00 ATOM 1513 NH1 ARG A 194 14.446 41.834 65.896 1.00 0.00 ATOM 1514 NH2 ARG A 194 15.207 41.633 63.875 1.00 0.00 ATOM 1515 O ARG A 194 15.410 36.234 70.581 1.00 0.00 ATOM 1516 C ARG A 194 15.324 37.460 70.635 1.00 0.00 ATOM 1517 N ARG A 195 14.741 38.093 71.643 1.00 0.00 ATOM 1518 CA ARG A 195 14.061 37.349 72.690 1.00 0.00 ATOM 1519 CB ARG A 195 13.682 38.121 73.946 1.00 0.00 ATOM 1520 CG ARG A 195 14.905 38.805 74.519 1.00 0.00 ATOM 1521 CD ARG A 195 15.470 37.765 75.458 1.00 0.00 ATOM 1522 NE ARG A 195 16.632 38.303 76.122 1.00 0.00 ATOM 1523 CZ ARG A 195 17.436 37.527 76.821 1.00 0.00 ATOM 1524 NH1 ARG A 195 18.488 38.085 77.345 1.00 0.00 ATOM 1525 NH2 ARG A 195 17.167 36.261 77.122 1.00 0.00 ATOM 1526 O ARG A 195 12.111 37.365 71.236 1.00 0.00 ATOM 1527 C ARG A 195 12.768 36.781 72.116 1.00 0.00 ATOM 1528 N ILE A 196 12.523 35.572 72.562 1.00 0.00 ATOM 1529 CA ILE A 196 11.295 34.879 72.217 1.00 0.00 ATOM 1530 CB ILE A 196 11.582 33.620 71.382 1.00 0.00 ATOM 1531 CG1 ILE A 196 12.297 33.970 70.082 1.00 0.00 ATOM 1532 CG2 ILE A 196 10.282 32.861 71.053 1.00 0.00 ATOM 1533 CD1 ILE A 196 12.732 32.756 69.310 1.00 0.00 ATOM 1534 O ILE A 196 11.236 33.840 74.401 1.00 0.00 ATOM 1535 C ILE A 196 10.661 34.490 73.520 1.00 0.00 ATOM 1536 N THR A 197 9.386 34.722 73.416 1.00 0.00 ATOM 1537 CA THR A 197 8.533 34.171 74.391 1.00 0.00 ATOM 1538 CB THR A 197 7.506 35.257 74.885 1.00 0.00 ATOM 1539 CG2 THR A 197 6.564 34.696 76.048 1.00 0.00 ATOM 1540 OG1 THR A 197 8.216 36.388 75.410 1.00 0.00 ATOM 1541 O THR A 197 6.971 33.187 72.856 1.00 0.00 ATOM 1542 C THR A 197 7.789 32.983 73.757 1.00 0.00 ATOM 1543 N LEU A 198 7.887 31.852 74.431 1.00 0.00 ATOM 1544 CA LEU A 198 7.261 30.626 73.914 1.00 0.00 ATOM 1545 CB LEU A 198 8.281 29.501 73.837 1.00 0.00 ATOM 1546 CG LEU A 198 7.826 28.288 73.005 1.00 0.00 ATOM 1547 CD1 LEU A 198 7.741 28.584 71.515 1.00 0.00 ATOM 1548 CD2 LEU A 198 8.778 27.102 73.201 1.00 0.00 ATOM 1549 O LEU A 198 6.259 29.996 76.020 1.00 0.00 ATOM 1550 C LEU A 198 6.109 30.194 74.818 1.00 0.00 ATOM 1551 N VAL A 199 4.945 30.053 74.192 1.00 0.00 ATOM 1552 CA VAL A 199 3.785 29.422 74.864 1.00 0.00 ATOM 1553 CB VAL A 199 2.558 30.329 74.882 1.00 0.00 ATOM 1554 CG1 VAL A 199 1.266 29.714 75.428 1.00 0.00 ATOM 1555 CG2 VAL A 199 2.858 31.532 75.719 1.00 0.00 ATOM 1556 O VAL A 199 3.393 28.139 72.876 1.00 0.00 ATOM 1557 C VAL A 199 3.470 28.145 74.101 1.00 0.00 ATOM 1558 N GLY A 200 3.282 27.102 74.892 1.00 0.00 ATOM 1559 CA GLY A 200 3.046 25.770 74.334 1.00 0.00 ATOM 1560 O GLY A 200 2.087 24.848 76.320 1.00 0.00 ATOM 1561 C GLY A 200 2.155 24.808 75.093 1.00 0.00 ATOM 1562 N PRO A 201 1.332 23.964 74.353 1.00 0.00 ATOM 1563 CA PRO A 201 0.420 22.994 74.958 1.00 0.00 ATOM 1564 CB PRO A 201 -0.606 22.771 73.851 1.00 0.00 ATOM 1565 CG PRO A 201 0.226 22.832 72.631 1.00 0.00 ATOM 1566 CD PRO A 201 1.161 24.007 72.888 1.00 0.00 ATOM 1567 O PRO A 201 2.333 21.541 74.859 1.00 0.00 ATOM 1568 C PRO A 201 1.115 21.675 75.148 1.00 0.00 ATOM 1569 N GLY A 202 0.410 20.666 75.527 1.00 0.00 ATOM 1570 CA GLY A 202 0.965 19.340 75.718 1.00 0.00 ATOM 1571 O GLY A 202 2.885 18.234 74.883 1.00 0.00 ATOM 1572 C GLY A 202 1.852 18.801 74.590 1.00 0.00 ATOM 1573 N THR A 203 1.436 18.959 73.337 1.00 0.00 ATOM 1574 CA THR A 203 2.229 18.482 72.191 1.00 0.00 ATOM 1575 CB THR A 203 1.394 17.461 71.386 1.00 0.00 ATOM 1576 CG2 THR A 203 1.042 16.248 72.231 1.00 0.00 ATOM 1577 OG1 THR A 203 0.138 18.034 71.026 1.00 0.00 ATOM 1578 O THR A 203 2.111 20.076 70.347 1.00 0.00 ATOM 1579 C THR A 203 2.628 19.751 71.432 1.00 0.00 ATOM 1580 N PRO A 204 3.569 20.533 72.117 1.00 0.00 ATOM 1581 CA PRO A 204 4.105 21.773 71.536 1.00 0.00 ATOM 1582 CB PRO A 204 5.187 22.167 72.575 1.00 0.00 ATOM 1583 CG PRO A 204 5.628 20.872 73.216 1.00 0.00 ATOM 1584 CD PRO A 204 4.374 20.057 73.286 1.00 0.00 ATOM 1585 O PRO A 204 5.484 20.606 69.989 1.00 0.00 ATOM 1586 C PRO A 204 4.805 21.598 70.191 1.00 0.00 ATOM 1587 N LEU A 205 4.634 22.573 69.304 1.00 0.00 ATOM 1588 CA LEU A 205 5.304 22.506 68.006 1.00 0.00 ATOM 1589 CB LEU A 205 5.550 24.129 67.690 1.00 0.00 ATOM 1590 CG LEU A 205 5.425 24.754 66.298 1.00 0.00 ATOM 1591 CD1 LEU A 205 3.953 24.861 65.934 1.00 0.00 ATOM 1592 CD2 LEU A 205 6.075 26.127 66.271 1.00 0.00 ATOM 1593 O LEU A 205 7.453 21.617 67.411 1.00 0.00 ATOM 1594 C LEU A 205 6.807 22.315 68.191 1.00 0.00 ATOM 1595 N ALA A 206 7.366 22.923 69.227 1.00 0.00 ATOM 1596 CA ALA A 206 8.826 22.968 69.410 1.00 0.00 ATOM 1597 CB ALA A 206 9.132 24.105 70.422 1.00 0.00 ATOM 1598 O ALA A 206 8.667 20.704 70.188 1.00 0.00 ATOM 1599 C ALA A 206 9.342 21.730 70.160 1.00 0.00 ATOM 1600 N PRO A 207 10.710 21.817 70.875 1.00 0.00 ATOM 1601 CA PRO A 207 11.604 22.974 70.819 1.00 0.00 ATOM 1602 CB PRO A 207 11.866 23.425 72.179 1.00 0.00 ATOM 1603 CG PRO A 207 11.434 22.288 73.097 1.00 0.00 ATOM 1604 CD PRO A 207 10.379 21.528 72.326 1.00 0.00 ATOM 1605 O PRO A 207 13.904 23.111 70.059 1.00 0.00 ATOM 1606 C PRO A 207 12.701 23.193 69.752 1.00 0.00 ATOM 1607 N VAL A 208 12.296 23.442 68.559 1.00 0.00 ATOM 1608 CA VAL A 208 13.250 23.535 67.448 1.00 0.00 ATOM 1609 CB VAL A 208 12.385 23.459 66.170 1.00 0.00 ATOM 1610 CG1 VAL A 208 13.181 23.898 64.943 1.00 0.00 ATOM 1611 CG2 VAL A 208 11.933 22.022 65.935 1.00 0.00 ATOM 1612 O VAL A 208 15.028 25.125 67.168 1.00 0.00 ATOM 1613 C VAL A 208 13.897 24.912 67.608 1.00 0.00 ATOM 1614 N LEU A 209 13.144 25.894 68.254 1.00 0.00 ATOM 1615 CA LEU A 209 13.658 27.248 68.451 1.00 0.00 ATOM 1616 CB LEU A 209 12.657 28.109 69.216 1.00 0.00 ATOM 1617 CG LEU A 209 11.460 28.543 68.371 1.00 0.00 ATOM 1618 CD1 LEU A 209 10.428 29.225 69.283 1.00 0.00 ATOM 1619 CD2 LEU A 209 11.880 29.528 67.284 1.00 0.00 ATOM 1620 O LEU A 209 15.730 28.247 69.150 1.00 0.00 ATOM 1621 C LEU A 209 14.959 27.276 69.262 1.00 0.00 ATOM 1622 N PHE A 210 15.222 26.259 70.089 1.00 0.00 ATOM 1623 CA PHE A 210 16.438 26.252 70.875 1.00 0.00 ATOM 1624 CB PHE A 210 16.303 25.006 71.833 1.00 0.00 ATOM 1625 CG PHE A 210 17.409 24.737 72.815 1.00 0.00 ATOM 1626 CD1 PHE A 210 17.161 24.986 74.158 1.00 0.00 ATOM 1627 CD2 PHE A 210 18.620 24.199 72.428 1.00 0.00 ATOM 1628 CE1 PHE A 210 18.140 24.728 75.107 1.00 0.00 ATOM 1629 CE2 PHE A 210 19.620 23.954 73.375 1.00 0.00 ATOM 1630 CZ PHE A 210 19.358 24.205 74.698 1.00 0.00 ATOM 1631 O PHE A 210 18.667 26.941 70.376 1.00 0.00 ATOM 1632 C PHE A 210 17.734 26.206 70.076 1.00 0.00 ATOM 1633 N GLU A 211 17.677 25.508 68.943 1.00 0.00 ATOM 1634 CA GLU A 211 18.856 25.348 68.046 1.00 0.00 ATOM 1635 CB GLU A 211 18.581 24.255 67.015 1.00 0.00 ATOM 1636 CG GLU A 211 18.437 22.874 67.655 1.00 0.00 ATOM 1637 CD GLU A 211 18.165 21.783 66.606 1.00 0.00 ATOM 1638 OE1 GLU A 211 18.084 22.089 65.387 1.00 0.00 ATOM 1639 OE2 GLU A 211 17.974 20.641 67.065 1.00 0.00 ATOM 1640 O GLU A 211 20.300 26.605 66.610 1.00 0.00 ATOM 1641 C GLU A 211 19.255 26.582 67.250 1.00 0.00 ATOM 1642 N HIS A 212 18.346 27.720 67.323 1.00 0.00 ATOM 1643 CA HIS A 212 18.605 28.979 66.631 1.00 0.00 ATOM 1644 CB HIS A 212 17.367 29.895 66.680 1.00 0.00 ATOM 1645 CG HIS A 212 16.248 29.417 65.804 1.00 0.00 ATOM 1646 CD2 HIS A 212 16.153 28.331 65.002 1.00 0.00 ATOM 1647 ND1 HIS A 212 15.039 30.073 65.702 1.00 0.00 ATOM 1648 CE1 HIS A 212 14.246 29.410 64.877 1.00 0.00 ATOM 1649 NE2 HIS A 212 14.900 28.348 64.436 1.00 0.00 ATOM 1650 O HIS A 212 19.907 29.674 68.552 1.00 0.00 ATOM 1651 C HIS A 212 19.516 29.929 67.415 1.00 0.00 ATOM 1652 N GLY A 213 19.750 31.087 66.787 1.00 0.00 ATOM 1653 CA GLY A 213 20.354 32.261 67.444 1.00 0.00 ATOM 1654 O GLY A 213 19.789 33.991 69.001 1.00 0.00 ATOM 1655 C GLY A 213 19.381 33.087 68.264 1.00 0.00 ATOM 1656 N LEU A 214 18.066 32.779 68.204 1.00 0.00 ATOM 1657 CA LEU A 214 17.095 33.456 69.051 1.00 0.00 ATOM 1658 CB LEU A 214 15.696 33.070 68.628 1.00 0.00 ATOM 1659 CG LEU A 214 15.258 33.665 67.293 1.00 0.00 ATOM 1660 CD1 LEU A 214 14.011 32.950 66.789 1.00 0.00 ATOM 1661 CD2 LEU A 214 14.983 35.148 67.481 1.00 0.00 ATOM 1662 O LEU A 214 17.649 31.897 70.820 1.00 0.00 ATOM 1663 C LEU A 214 17.259 33.016 70.506 1.00 0.00 ATOM 1664 N GLN A 215 16.864 33.920 71.377 1.00 0.00 ATOM 1665 CA GLN A 215 16.978 33.679 72.819 1.00 0.00 ATOM 1666 CB GLN A 215 17.749 34.788 73.499 1.00 0.00 ATOM 1667 CG GLN A 215 19.085 34.686 72.804 1.00 0.00 ATOM 1668 CD GLN A 215 20.102 33.761 73.391 1.00 0.00 ATOM 1669 OE1 GLN A 215 20.124 33.389 74.561 1.00 0.00 ATOM 1670 NE2 GLN A 215 20.976 33.428 72.498 1.00 0.00 ATOM 1671 O GLN A 215 14.891 34.485 73.590 1.00 0.00 ATOM 1672 C GLN A 215 15.628 33.502 73.445 1.00 0.00 ATOM 1673 N GLU A 216 15.359 32.289 73.912 1.00 0.00 ATOM 1674 CA GLU A 216 14.044 32.062 74.532 1.00 0.00 ATOM 1675 CB GLU A 216 13.332 30.720 74.344 1.00 0.00 ATOM 1676 CG GLU A 216 14.194 29.493 74.098 1.00 0.00 ATOM 1677 CD GLU A 216 14.651 29.322 72.644 1.00 0.00 ATOM 1678 OE1 GLU A 216 14.851 30.313 71.911 1.00 0.00 ATOM 1679 OE2 GLU A 216 14.823 28.156 72.283 1.00 0.00 ATOM 1680 O GLU A 216 14.824 31.846 76.805 1.00 0.00 ATOM 1681 C GLU A 216 14.077 32.432 76.009 1.00 0.00 ATOM 1682 N LEU A 217 13.280 33.425 76.373 1.00 0.00 ATOM 1683 CA LEU A 217 13.309 33.973 77.730 1.00 0.00 ATOM 1684 CB LEU A 217 12.667 35.367 77.766 1.00 0.00 ATOM 1685 CG LEU A 217 12.693 35.989 79.170 1.00 0.00 ATOM 1686 CD1 LEU A 217 14.114 36.265 79.655 1.00 0.00 ATOM 1687 CD2 LEU A 217 11.985 37.330 79.171 1.00 0.00 ATOM 1688 O LEU A 217 12.988 32.853 79.829 1.00 0.00 ATOM 1689 C LEU A 217 12.581 33.017 78.683 1.00 0.00 ATOM 1690 N SER A 218 11.496 32.450 78.176 1.00 0.00 ATOM 1691 CA SER A 218 10.630 31.576 78.986 1.00 0.00 ATOM 1692 CB SER A 218 9.804 32.411 79.965 1.00 0.00 ATOM 1693 OG SER A 218 8.942 31.566 80.728 1.00 0.00 ATOM 1694 O SER A 218 9.252 31.220 77.033 1.00 0.00 ATOM 1695 C SER A 218 9.678 30.771 78.095 1.00 0.00 ATOM 1696 N GLY A 219 9.530 29.576 78.793 1.00 0.00 ATOM 1697 CA GLY A 219 8.496 28.661 78.288 1.00 0.00 ATOM 1698 O GLY A 219 7.485 28.552 80.454 1.00 0.00 ATOM 1699 C GLY A 219 7.317 28.699 79.245 1.00 0.00 ATOM 1700 N PHE A 220 6.119 28.819 78.697 1.00 0.00 ATOM 1701 CA PHE A 220 4.936 28.565 79.531 1.00 0.00 ATOM 1702 CB PHE A 220 4.256 29.445 80.186 1.00 0.00 ATOM 1703 CG PHE A 220 4.832 29.430 81.580 1.00 0.00 ATOM 1704 CD1 PHE A 220 5.087 28.222 82.230 1.00 0.00 ATOM 1705 CD2 PHE A 220 5.118 30.619 82.243 1.00 0.00 ATOM 1706 CE1 PHE A 220 5.617 28.202 83.517 1.00 0.00 ATOM 1707 CE2 PHE A 220 5.648 30.606 83.533 1.00 0.00 ATOM 1708 CZ PHE A 220 5.897 29.396 84.170 1.00 0.00 ATOM 1709 O PHE A 220 3.599 27.689 77.715 1.00 0.00 ATOM 1710 C PHE A 220 3.937 27.640 78.893 1.00 0.00 ATOM 1711 N MET A 221 3.346 26.832 79.791 1.00 0.00 ATOM 1712 CA MET A 221 2.345 25.893 79.338 1.00 0.00 ATOM 1713 CB MET A 221 2.540 24.558 80.019 1.00 0.00 ATOM 1714 CG MET A 221 1.391 23.575 79.827 1.00 0.00 ATOM 1715 SD MET A 221 1.946 21.865 80.121 1.00 0.00 ATOM 1716 CE MET A 221 3.222 21.759 78.902 1.00 0.00 ATOM 1717 O MET A 221 0.435 27.034 80.225 1.00 0.00 ATOM 1718 C MET A 221 0.909 26.357 79.280 1.00 0.00 ATOM 1719 N VAL A 222 0.231 25.921 78.142 1.00 0.00 ATOM 1720 CA VAL A 222 -1.179 26.284 77.955 1.00 0.00 ATOM 1721 CB VAL A 222 -1.584 25.698 76.601 1.00 0.00 ATOM 1722 CG1 VAL A 222 -3.092 25.812 76.340 1.00 0.00 ATOM 1723 CG2 VAL A 222 -0.913 26.502 75.487 1.00 0.00 ATOM 1724 O VAL A 222 -3.256 26.334 79.188 1.00 0.00 ATOM 1725 C VAL A 222 -2.134 25.829 79.079 1.00 0.00 ATOM 1726 N LYS A 223 -1.682 24.898 79.905 1.00 0.00 ATOM 1727 CA LYS A 223 -2.580 24.263 80.878 1.00 0.00 ATOM 1728 CB LYS A 223 -2.258 22.703 80.911 1.00 0.00 ATOM 1729 CG LYS A 223 -2.460 21.732 79.678 1.00 0.00 ATOM 1730 CD LYS A 223 -2.070 20.228 79.841 1.00 0.00 ATOM 1731 CE LYS A 223 -2.281 19.310 78.604 1.00 0.00 ATOM 1732 NZ LYS A 223 -1.856 17.915 78.828 1.00 0.00 ATOM 1733 O LYS A 223 -4.194 24.988 82.492 1.00 0.00 ATOM 1734 C LYS A 223 -3.147 25.288 81.867 1.00 0.00 ATOM 1735 N ASP A 224 -2.451 26.416 82.084 1.00 0.00 ATOM 1736 CA ASP A 224 -2.940 27.389 83.081 1.00 0.00 ATOM 1737 CB ASP A 224 -2.102 27.379 84.343 1.00 0.00 ATOM 1738 CG ASP A 224 -2.733 28.240 85.460 1.00 0.00 ATOM 1739 OD1 ASP A 224 -3.591 29.134 85.184 1.00 0.00 ATOM 1740 OD2 ASP A 224 -2.390 28.001 86.629 1.00 0.00 ATOM 1741 O ASP A 224 -1.707 29.112 81.962 1.00 0.00 ATOM 1742 C ASP A 224 -2.788 28.757 82.435 1.00 0.00 ATOM 1743 N ASN A 225 -3.903 29.621 82.331 1.00 0.00 ATOM 1744 CA ASN A 225 -3.887 30.934 81.677 1.00 0.00 ATOM 1745 CB ASN A 225 -5.210 31.626 81.437 1.00 0.00 ATOM 1746 CG ASN A 225 -6.017 30.939 80.373 1.00 0.00 ATOM 1747 ND2 ASN A 225 -7.279 31.186 80.511 1.00 0.00 ATOM 1748 OD1 ASN A 225 -5.574 30.134 79.561 1.00 0.00 ATOM 1749 O ASN A 225 -2.442 32.851 81.647 1.00 0.00 ATOM 1750 C ASN A 225 -2.993 31.963 82.333 1.00 0.00 ATOM 1751 N ALA A 226 -2.785 31.894 83.638 1.00 0.00 ATOM 1752 CA ALA A 226 -1.915 32.843 84.328 1.00 0.00 ATOM 1753 CB ALA A 226 -2.149 32.629 85.881 1.00 0.00 ATOM 1754 O ALA A 226 0.190 33.858 83.799 1.00 0.00 ATOM 1755 C ALA A 226 -0.490 32.832 83.789 1.00 0.00 ATOM 1756 N ARG A 227 -0.057 31.688 83.315 1.00 0.00 ATOM 1757 CA ARG A 227 1.297 31.564 82.784 1.00 0.00 ATOM 1758 CB ARG A 227 1.644 30.044 82.616 1.00 0.00 ATOM 1759 CG ARG A 227 1.900 29.262 83.888 1.00 0.00 ATOM 1760 CD ARG A 227 2.489 27.870 83.651 1.00 0.00 ATOM 1761 NE ARG A 227 1.617 27.021 82.832 1.00 0.00 ATOM 1762 CZ ARG A 227 0.675 26.198 83.301 1.00 0.00 ATOM 1763 NH1 ARG A 227 0.441 26.087 84.602 1.00 0.00 ATOM 1764 NH2 ARG A 227 -0.047 25.475 82.451 1.00 0.00 ATOM 1765 O ARG A 227 2.554 32.882 81.227 1.00 0.00 ATOM 1766 C ARG A 227 1.470 32.372 81.501 1.00 0.00 ATOM 1767 N ALA A 228 0.385 32.501 80.669 1.00 0.00 ATOM 1768 CA ALA A 228 0.443 33.280 79.438 1.00 0.00 ATOM 1769 CB ALA A 228 -0.905 33.123 78.745 1.00 0.00 ATOM 1770 O ALA A 228 1.613 35.430 79.255 1.00 0.00 ATOM 1771 C ALA A 228 0.705 34.760 79.755 1.00 0.00 ATOM 1772 N PHE A 229 -0.016 35.261 80.758 1.00 0.00 ATOM 1773 CA PHE A 229 0.185 36.644 81.225 1.00 0.00 ATOM 1774 CB PHE A 229 -0.858 36.941 82.292 1.00 0.00 ATOM 1775 CG PHE A 229 -0.696 38.368 82.806 1.00 0.00 ATOM 1776 CD1 PHE A 229 -1.223 39.415 82.070 1.00 0.00 ATOM 1777 CD2 PHE A 229 -0.041 38.612 84.007 1.00 0.00 ATOM 1778 CE1 PHE A 229 -1.082 40.697 82.556 1.00 0.00 ATOM 1779 CE2 PHE A 229 0.079 39.902 84.493 1.00 0.00 ATOM 1780 CZ PHE A 229 -0.457 40.951 83.759 1.00 0.00 ATOM 1781 O PHE A 229 2.220 37.882 81.557 1.00 0.00 ATOM 1782 C PHE A 229 1.599 36.842 81.772 1.00 0.00 ATOM 1783 N ARG A 230 2.118 35.839 82.510 1.00 0.00 ATOM 1784 CA ARG A 230 3.464 35.922 83.065 1.00 0.00 ATOM 1785 CB ARG A 230 3.788 34.640 83.821 1.00 0.00 ATOM 1786 CG ARG A 230 2.979 34.565 85.106 1.00 0.00 ATOM 1787 CD ARG A 230 3.283 33.235 85.764 1.00 0.00 ATOM 1788 NE ARG A 230 2.554 33.139 87.039 1.00 0.00 ATOM 1789 CZ ARG A 230 2.560 32.051 87.814 1.00 0.00 ATOM 1790 NH1 ARG A 230 1.924 32.038 88.978 1.00 0.00 ATOM 1791 NH2 ARG A 230 3.280 30.985 87.500 1.00 0.00 ATOM 1792 O ARG A 230 5.398 36.945 82.074 1.00 0.00 ATOM 1793 C ARG A 230 4.497 36.111 81.954 1.00 0.00 ATOM 1794 N ILE A 231 4.313 35.370 80.919 1.00 0.00 ATOM 1795 CA ILE A 231 5.257 35.394 79.822 1.00 0.00 ATOM 1796 CB ILE A 231 4.918 34.256 78.794 1.00 0.00 ATOM 1797 CG1 ILE A 231 5.157 32.878 79.454 1.00 0.00 ATOM 1798 CG2 ILE A 231 5.640 34.472 77.440 1.00 0.00 ATOM 1799 CD1 ILE A 231 4.786 31.674 78.569 1.00 0.00 ATOM 1800 O ILE A 231 6.291 37.280 78.760 1.00 0.00 ATOM 1801 C ILE A 231 5.235 36.734 79.080 1.00 0.00 ATOM 1802 N VAL A 232 4.021 37.271 78.790 1.00 0.00 ATOM 1803 CA VAL A 232 3.888 38.545 78.092 1.00 0.00 ATOM 1804 CB VAL A 232 2.399 38.868 77.938 1.00 0.00 ATOM 1805 CG1 VAL A 232 2.106 40.357 77.728 1.00 0.00 ATOM 1806 CG2 VAL A 232 1.831 38.042 76.794 1.00 0.00 ATOM 1807 O VAL A 232 5.273 40.484 78.423 1.00 0.00 ATOM 1808 C VAL A 232 4.558 39.618 78.936 1.00 0.00 ATOM 1809 N ALA A 233 4.333 39.594 80.256 1.00 0.00 ATOM 1810 CA ALA A 233 4.961 40.569 81.121 1.00 0.00 ATOM 1811 CB ALA A 233 4.423 40.285 82.517 1.00 0.00 ATOM 1812 O ALA A 233 7.201 41.467 80.993 1.00 0.00 ATOM 1813 C ALA A 233 6.487 40.464 81.076 1.00 0.00 ATOM 1814 N GLY A 234 6.971 39.217 81.121 1.00 0.00 ATOM 1815 CA GLY A 234 8.399 38.991 80.999 1.00 0.00 ATOM 1816 O GLY A 234 9.985 40.174 79.632 1.00 0.00 ATOM 1817 C GLY A 234 8.935 39.529 79.681 1.00 0.00 ATOM 1818 N ALA A 235 8.211 39.287 78.565 1.00 0.00 ATOM 1819 CA ALA A 235 8.634 39.778 77.256 1.00 0.00 ATOM 1820 CB ALA A 235 7.819 39.095 76.157 1.00 0.00 ATOM 1821 O ALA A 235 9.540 41.931 76.692 1.00 0.00 ATOM 1822 C ALA A 235 8.626 41.304 77.235 1.00 0.00 ATOM 1823 N GLU A 236 7.610 41.902 77.872 1.00 0.00 ATOM 1824 CA GLU A 236 7.472 43.350 77.883 1.00 0.00 ATOM 1825 CB GLU A 236 6.517 43.684 79.106 1.00 0.00 ATOM 1826 CG GLU A 236 5.896 45.066 79.152 1.00 0.00 ATOM 1827 CD GLU A 236 5.081 45.295 80.410 1.00 0.00 ATOM 1828 OE1 GLU A 236 5.609 45.049 81.516 1.00 0.00 ATOM 1829 OE2 GLU A 236 3.913 45.726 80.293 1.00 0.00 ATOM 1830 O GLU A 236 8.791 45.229 78.558 1.00 0.00 ATOM 1831 C GLU A 236 8.591 44.022 78.668 1.00 0.00 ATOM 1832 N LYS A 237 9.371 43.240 79.515 1.00 0.00 ATOM 1833 CA LYS A 237 10.460 43.806 80.295 1.00 0.00 ATOM 1834 CB LYS A 237 11.120 42.743 81.174 1.00 0.00 ATOM 1835 CG LYS A 237 10.222 42.235 82.289 1.00 0.00 ATOM 1836 CD LYS A 237 10.923 41.211 83.152 1.00 0.00 ATOM 1837 CE LYS A 237 11.206 39.937 82.383 1.00 0.00 ATOM 1838 NZ LYS A 237 11.817 38.902 83.254 1.00 0.00 ATOM 1839 O LYS A 237 12.307 45.211 79.713 1.00 0.00 ATOM 1840 C LYS A 237 11.487 44.384 79.330 1.00 0.00 ATOM 1841 N VAL A 238 11.458 43.936 78.080 1.00 0.00 ATOM 1842 CA VAL A 238 12.423 44.418 77.096 1.00 0.00 ATOM 1843 CB VAL A 238 12.694 43.341 76.020 1.00 0.00 ATOM 1844 CG1 VAL A 238 13.814 43.804 75.075 1.00 0.00 ATOM 1845 CG2 VAL A 238 13.051 42.010 76.697 1.00 0.00 ATOM 1846 O VAL A 238 10.769 45.658 75.897 1.00 0.00 ATOM 1847 C VAL A 238 11.892 45.662 76.411 1.00 0.00 ATOM 1848 N LYS A 239 12.668 46.721 76.424 1.00 0.00 ATOM 1849 CA LYS A 239 12.286 47.968 75.774 1.00 0.00 ATOM 1850 CB LYS A 239 11.967 49.081 76.792 1.00 0.00 ATOM 1851 CG LYS A 239 11.450 50.336 76.087 1.00 0.00 ATOM 1852 CD LYS A 239 11.308 51.459 77.128 1.00 0.00 ATOM 1853 CE LYS A 239 10.798 52.745 76.527 1.00 0.00 ATOM 1854 NZ LYS A 239 9.506 52.568 75.832 1.00 0.00 ATOM 1855 O LYS A 239 14.573 48.528 75.254 1.00 0.00 ATOM 1856 C LYS A 239 13.408 48.434 74.840 1.00 0.00 ATOM 1857 N ILE A 240 13.037 48.768 73.660 1.00 0.00 ATOM 1858 CA ILE A 240 13.989 49.238 72.653 1.00 0.00 ATOM 1859 CB ILE A 240 14.263 48.585 71.497 1.00 0.00 ATOM 1860 CG1 ILE A 240 15.392 47.580 71.835 1.00 0.00 ATOM 1861 CG2 ILE A 240 14.699 49.527 70.372 1.00 0.00 ATOM 1862 CD1 ILE A 240 15.530 46.493 70.821 1.00 0.00 ATOM 1863 O ILE A 240 13.190 51.474 72.612 1.00 0.00 ATOM 1864 C ILE A 240 14.180 50.738 72.666 1.00 0.00 ATOM 1865 N TYR A 241 15.399 51.214 72.614 1.00 0.00 ATOM 1866 CA TYR A 241 15.672 52.649 72.543 1.00 0.00 ATOM 1867 CB TYR A 241 17.213 52.883 72.596 1.00 0.00 ATOM 1868 CG TYR A 241 17.697 54.307 72.354 1.00 0.00 ATOM 1869 CD1 TYR A 241 17.236 55.369 73.134 1.00 0.00 ATOM 1870 CD2 TYR A 241 18.637 54.576 71.361 1.00 0.00 ATOM 1871 CE1 TYR A 241 17.700 56.671 72.927 1.00 0.00 ATOM 1872 CE2 TYR A 241 19.115 55.872 71.149 1.00 0.00 ATOM 1873 CZ TYR A 241 18.642 56.910 71.934 1.00 0.00 ATOM 1874 OH TYR A 241 19.128 58.184 71.737 1.00 0.00 ATOM 1875 O TYR A 241 15.083 52.834 70.230 1.00 0.00 ATOM 1876 C TYR A 241 15.067 53.341 71.342 1.00 0.00 ATOM 1877 N SER A 242 14.560 54.620 71.566 1.00 0.00 ATOM 1878 CA SER A 242 14.035 55.426 70.503 1.00 0.00 ATOM 1879 CB SER A 242 14.187 56.888 70.748 1.00 0.00 ATOM 1880 OG SER A 242 13.644 57.647 69.683 1.00 0.00 ATOM 1881 O SER A 242 14.045 54.776 68.218 1.00 0.00 ATOM 1882 C SER A 242 14.708 55.162 69.156 1.00 0.00 ATOM 1883 N ALA A 243 15.986 55.512 69.024 1.00 0.00 ATOM 1884 CA ALA A 243 16.761 55.222 67.801 1.00 0.00 ATOM 1885 CB ALA A 243 18.211 55.687 67.909 1.00 0.00 ATOM 1886 O ALA A 243 16.995 53.489 66.146 1.00 0.00 ATOM 1887 C ALA A 243 16.729 53.769 67.319 1.00 0.00 ATOM 1888 N GLY A 244 16.626 52.868 68.278 1.00 0.00 ATOM 1889 CA GLY A 244 16.494 51.462 67.915 1.00 0.00 ATOM 1890 O GLY A 244 17.958 49.721 67.174 1.00 0.00 ATOM 1891 C GLY A 244 17.818 50.739 67.843 1.00 0.00 ATOM 1892 N GLN A 245 18.755 51.429 68.669 1.00 0.00 ATOM 1893 CA GLN A 245 20.111 50.956 68.735 1.00 0.00 ATOM 1894 CB GLN A 245 21.033 52.164 68.137 1.00 0.00 ATOM 1895 CG GLN A 245 20.812 52.394 66.605 1.00 0.00 ATOM 1896 CD GLN A 245 20.975 53.831 66.094 1.00 0.00 ATOM 1897 OE1 GLN A 245 21.611 54.668 66.743 1.00 0.00 ATOM 1898 NE2 GLN A 245 20.405 54.106 64.904 1.00 0.00 ATOM 1899 O GLN A 245 21.549 49.633 70.122 1.00 0.00 ATOM 1900 C GLN A 245 20.491 50.256 70.035 1.00 0.00 ATOM 1901 N LYS A 246 19.643 50.308 71.029 1.00 0.00 ATOM 1902 CA LYS A 246 19.922 49.690 72.322 1.00 0.00 ATOM 1903 CB LYS A 246 20.342 50.659 73.418 1.00 0.00 ATOM 1904 CG LYS A 246 21.681 51.310 73.207 1.00 0.00 ATOM 1905 CD LYS A 246 22.036 52.159 74.422 1.00 0.00 ATOM 1906 CE LYS A 246 23.342 52.872 74.117 1.00 0.00 ATOM 1907 NZ LYS A 246 24.429 51.957 73.779 1.00 0.00 ATOM 1908 O LYS A 246 17.574 49.406 72.514 1.00 0.00 ATOM 1909 C LYS A 246 18.686 49.023 72.883 1.00 0.00 ATOM 1910 N VAL A 247 18.897 48.043 73.776 1.00 0.00 ATOM 1911 CA VAL A 247 17.828 47.312 74.415 1.00 0.00 ATOM 1912 CB VAL A 247 17.813 45.849 73.970 1.00 0.00 ATOM 1913 CG1 VAL A 247 19.126 45.151 74.050 1.00 0.00 ATOM 1914 CG2 VAL A 247 16.752 44.998 74.607 1.00 0.00 ATOM 1915 O VAL A 247 19.138 47.142 76.405 1.00 0.00 ATOM 1916 C VAL A 247 18.029 47.359 75.926 1.00 0.00 ATOM 1917 N THR A 248 16.961 47.642 76.568 1.00 0.00 ATOM 1918 CA THR A 248 16.963 47.629 78.024 1.00 0.00 ATOM 1919 CB THR A 248 16.470 48.977 78.569 1.00 0.00 ATOM 1920 CG2 THR A 248 16.594 49.032 80.089 1.00 0.00 ATOM 1921 OG1 THR A 248 17.247 50.020 77.969 1.00 0.00 ATOM 1922 O THR A 248 14.904 46.410 78.050 1.00 0.00 ATOM 1923 C THR A 248 16.053 46.483 78.466 1.00 0.00 ATOM 1924 N ILE A 249 16.636 45.618 79.280 1.00 0.00 ATOM 1925 CA ILE A 249 15.889 44.460 79.778 1.00 0.00 ATOM 1926 CB ILE A 249 16.562 43.120 79.446 1.00 0.00 ATOM 1927 CG1 ILE A 249 16.783 42.946 77.933 1.00 0.00 ATOM 1928 CG2 ILE A 249 15.527 42.078 79.822 1.00 0.00 ATOM 1929 CD1 ILE A 249 17.323 41.587 77.443 1.00 0.00 ATOM 1930 O ILE A 249 16.698 44.574 82.038 1.00 0.00 ATOM 1931 C ILE A 249 15.731 44.597 81.288 1.00 0.00 ATOM 1932 N LYS A 250 14.345 44.839 81.712 1.00 0.00 ATOM 1933 CA LYS A 250 14.107 44.884 83.156 1.00 0.00 ATOM 1934 CB LYS A 250 12.643 45.248 83.353 1.00 0.00 ATOM 1935 CG LYS A 250 12.544 46.760 83.467 1.00 0.00 ATOM 1936 CD LYS A 250 11.144 47.373 83.597 1.00 0.00 ATOM 1937 CE LYS A 250 10.455 47.443 82.250 1.00 0.00 ATOM 1938 NZ LYS A 250 9.012 47.504 82.487 1.00 0.00 ATOM 1939 O LYS A 250 15.400 43.696 84.806 1.00 0.00 ATOM 1940 C LYS A 250 14.605 43.604 83.873 1.00 0.00 ATOM 1941 N LYS A 251 14.065 42.429 83.416 1.00 0.00 ATOM 1942 CA LYS A 251 14.502 41.158 84.045 1.00 0.00 ATOM 1943 CB LYS A 251 13.722 40.900 85.327 1.00 0.00 ATOM 1944 CG LYS A 251 13.975 41.943 86.409 1.00 0.00 ATOM 1945 CD LYS A 251 13.591 41.449 87.790 1.00 0.00 ATOM 1946 CE LYS A 251 14.512 40.317 88.241 1.00 0.00 ATOM 1947 NZ LYS A 251 14.143 39.895 89.616 1.00 0.00 ATOM 1948 O LYS A 251 14.620 40.428 81.872 1.00 0.00 ATOM 1949 C LYS A 251 14.947 40.123 83.002 1.00 0.00 ENDMDL EXPDTA 2h1qA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2h1qA ATOM 1 N MET 1 -3.558 34.258 54.390 1.00 0.00 ATOM 2 CA MET 1 -2.778 35.377 54.903 1.00 0.00 ATOM 3 CB MET 1 -1.825 35.840 53.836 1.00 0.00 ATOM 4 CG MET 1 -0.601 34.987 53.802 1.00 0.00 ATOM 5 SD MET 1 0.495 35.740 52.491 1.00 0.00 ATOM 6 CE MET 1 2.442 35.261 53.309 1.00 0.00 ATOM 7 O MET 1 -2.939 37.384 56.166 1.00 0.00 ATOM 8 C MET 1 -3.526 36.587 55.430 1.00 0.00 ATOM 9 N TRP 2 -4.800 36.745 55.074 1.00 0.00 ATOM 10 CA TRP 2 -5.602 37.779 55.739 1.00 0.00 ATOM 11 CB TRP 2 -6.794 38.231 54.894 1.00 0.00 ATOM 12 CG TRP 2 -6.473 38.987 53.632 1.00 0.00 ATOM 13 CD1 TRP 2 -6.744 38.588 52.363 1.00 0.00 ATOM 14 CD2 TRP 2 -5.869 40.293 53.516 1.00 0.00 ATOM 15 CE2 TRP 2 -5.799 40.599 52.158 1.00 0.00 ATOM 16 CE3 TRP 2 -5.364 41.222 54.440 1.00 0.00 ATOM 17 NE1 TRP 2 -6.332 39.544 51.471 1.00 0.00 ATOM 18 CZ2 TRP 2 -5.271 41.785 51.700 1.00 0.00 ATOM 19 CZ3 TRP 2 -4.840 42.396 53.971 1.00 0.00 ATOM 20 CH2 TRP 2 -4.765 42.652 52.622 1.00 0.00 ATOM 21 O TRP 2 -6.660 38.137 57.856 1.00 0.00 ATOM 22 C TRP 2 -6.092 37.329 57.126 1.00 0.00 ATOM 23 N GLU 3 -5.840 36.067 57.495 1.00 0.00 ATOM 24 CA GLU 3 -6.450 35.489 58.681 1.00 0.00 ATOM 25 CB GLU 3 -6.064 34.013 58.874 1.00 0.00 ATOM 26 CG GLU 3 -6.841 33.086 57.952 1.00 0.00 ATOM 27 CD GLU 3 -6.752 31.599 58.328 1.00 0.00 ATOM 28 OE1 GLU 3 -5.984 31.226 59.268 1.00 0.00 ATOM 29 OE2 GLU 3 -7.457 30.807 57.649 1.00 0.00 ATOM 30 O GLU 3 -6.996 36.421 60.765 1.00 0.00 ATOM 31 C GLU 3 -6.134 36.240 59.931 1.00 0.00 ATOM 32 N ILE 4 -4.883 36.662 60.083 1.00 0.00 ATOM 33 CA ILE 4 -4.504 37.418 61.265 1.00 0.00 ATOM 34 CB ILE 4 -2.958 37.602 61.373 1.00 0.00 ATOM 35 CG1 ILE 4 -2.584 38.114 62.765 1.00 0.00 ATOM 36 CG2 ILE 4 -2.439 38.538 60.309 1.00 0.00 ATOM 37 CD1 ILE 4 -1.081 38.146 63.027 1.00 0.00 ATOM 38 O ILE 4 -5.585 39.212 62.401 1.00 0.00 ATOM 39 C ILE 4 -5.235 38.759 61.323 1.00 0.00 ATOM 40 N TYR 5 -5.463 39.378 60.170 1.00 0.00 ATOM 41 CA TYR 5 -6.230 40.643 60.075 1.00 0.00 ATOM 42 CB TYR 5 -6.092 41.295 58.666 1.00 0.00 ATOM 43 CG TYR 5 -4.691 41.799 58.388 1.00 0.00 ATOM 44 CD1 TYR 5 -3.724 40.964 57.841 1.00 0.00 ATOM 45 CD2 TYR 5 -4.315 43.084 58.749 1.00 0.00 ATOM 46 CE1 TYR 5 -2.421 41.411 57.633 1.00 0.00 ATOM 47 CE2 TYR 5 -3.013 43.537 58.525 1.00 0.00 ATOM 48 CZ TYR 5 -2.070 42.693 57.978 1.00 0.00 ATOM 49 OH TYR 5 -0.768 43.124 57.777 1.00 0.00 ATOM 50 O TYR 5 -8.298 41.166 61.157 1.00 0.00 ATOM 51 C TYR 5 -7.704 40.411 60.384 1.00 0.00 ATOM 52 N ASP 6 -8.281 39.383 59.762 1.00 0.00 ATOM 53 CA ASP 6 -9.675 38.970 60.011 1.00 0.00 ATOM 54 CB ASP 6 -10.017 37.754 59.144 1.00 0.00 ATOM 55 CG ASP 6 -10.021 38.050 57.634 1.00 0.00 ATOM 56 OD1 ASP 6 -10.313 39.214 57.240 1.00 0.00 ATOM 57 OD2 ASP 6 -9.780 37.069 56.862 1.00 0.00 ATOM 58 O ASP 6 -10.885 38.986 62.103 1.00 0.00 ATOM 59 C ASP 6 -9.899 38.607 61.509 1.00 0.00 ATOM 60 N ALA 7 -8.966 37.885 62.114 1.00 0.00 ATOM 61 CA ALA 7 -9.021 37.580 63.566 1.00 0.00 ATOM 62 CB ALA 7 -7.777 36.789 63.984 1.00 0.00 ATOM 63 O ALA 7 -9.946 38.917 65.337 1.00 0.00 ATOM 64 C ALA 7 -9.140 38.856 64.419 1.00 0.00 ATOM 65 N MET 8 -8.340 39.869 64.114 1.00 0.00 ATOM 66 CA MET 8 -8.370 41.142 64.857 1.00 0.00 ATOM 67 CB MET 8 -7.238 42.068 64.436 1.00 0.00 ATOM 68 CG MET 8 -5.882 41.613 64.837 1.00 0.00 ATOM 69 SD MET 8 -4.518 42.970 64.376 1.00 0.00 ATOM 70 CE MET 8 -4.419 42.961 62.628 1.00 0.00 ATOM 71 O MET 8 -10.308 42.323 65.595 1.00 0.00 ATOM 72 C MET 8 -9.674 41.869 64.644 1.00 0.00 ATOM 73 N ILE 9 -10.088 41.961 63.385 1.00 0.00 ATOM 74 CA ILE 9 -11.299 42.721 63.034 1.00 0.00 ATOM 75 CB ILE 9 -11.458 42.850 61.485 1.00 0.00 ATOM 76 CG1 ILE 9 -10.322 43.691 60.882 1.00 0.00 ATOM 77 CG2 ILE 9 -12.793 43.504 61.138 1.00 0.00 ATOM 78 CD1 ILE 9 -10.191 43.521 59.368 1.00 0.00 ATOM 79 O ILE 9 -13.402 42.706 64.227 1.00 0.00 ATOM 80 C ILE 9 -12.532 42.048 63.637 1.00 0.00 ATOM 81 N ASN 10 -12.613 40.728 63.495 1.00 0.00 ATOM 82 CA ASN 10 -13.822 40.008 63.893 1.00 0.00 ATOM 83 CB ASN 10 -13.847 38.604 63.273 1.00 0.00 ATOM 84 CG ASN 10 -14.069 38.654 61.800 1.00 0.00 ATOM 85 ND2 ASN 10 -13.480 37.704 61.033 1.00 0.00 ATOM 86 OD1 ASN 10 -14.780 39.543 61.338 1.00 0.00 ATOM 87 O ASN 10 -15.095 39.609 65.845 1.00 0.00 ATOM 88 C ASN 10 -14.013 39.945 65.390 1.00 0.00 ATOM 89 N GLY 11 -12.977 40.285 66.148 1.00 0.00 ATOM 90 CA GLY 11 -13.078 40.411 67.595 1.00 0.00 ATOM 91 O GLY 11 -13.948 41.838 69.286 1.00 0.00 ATOM 92 C GLY 11 -13.690 41.713 68.103 1.00 0.00 ATOM 93 N ILE 12 -13.938 42.680 67.223 1.00 0.00 ATOM 94 CA ILE 12 -14.483 43.978 67.635 1.00 0.00 ATOM 95 CB ILE 12 -13.977 45.147 66.715 1.00 0.00 ATOM 96 CG1 ILE 12 -12.439 45.195 66.672 1.00 0.00 ATOM 97 CG2 ILE 12 -14.504 46.521 67.206 1.00 0.00 ATOM 98 CD1 ILE 12 -11.862 46.070 65.558 1.00 0.00 ATOM 99 O ILE 12 -16.661 43.694 66.644 1.00 0.00 ATOM 100 C ILE 12 -16.023 43.936 67.662 1.00 0.00 ATOM 101 N PRO 13 -16.632 44.186 68.837 1.00 0.00 ATOM 102 CA PRO 13 -18.079 44.308 68.863 1.00 0.00 ATOM 103 CB PRO 13 -18.411 44.407 70.356 1.00 0.00 ATOM 104 CG PRO 13 -17.114 43.928 71.063 1.00 0.00 ATOM 105 CD PRO 13 -16.033 44.363 70.170 1.00 0.00 ATOM 106 O PRO 13 -17.875 46.619 68.105 1.00 0.00 ATOM 107 C PRO 13 -18.549 45.551 68.105 1.00 0.00 ATOM 108 N GLU 14 -19.671 45.373 67.427 1.00 0.00 ATOM 109 CA GLU 14 -20.301 46.421 66.620 1.00 0.00 ATOM 110 CB GLU 14 -21.619 45.911 66.123 1.00 0.00 ATOM 111 CG GLU 14 -21.455 45.162 64.919 1.00 0.00 ATOM 112 CD GLU 14 -22.728 45.047 64.256 1.00 0.00 ATOM 113 OE1 GLU 14 -23.446 44.156 64.685 1.00 0.00 ATOM 114 OE2 GLU 14 -23.011 45.882 63.382 1.00 0.00 ATOM 115 O GLU 14 -20.684 48.767 66.722 1.00 0.00 ATOM 116 C GLU 14 -20.652 47.702 67.339 1.00 0.00 ATOM 117 N ASP 15 -20.980 47.568 68.625 1.00 0.00 ATOM 118 CA ASP 15 -21.395 48.692 69.457 1.00 0.00 ATOM 119 CB ASP 15 -21.643 48.208 70.889 1.00 0.00 ATOM 120 CG ASP 15 -22.897 47.309 71.017 1.00 0.00 ATOM 121 OD1 ASP 15 -23.620 47.080 70.009 1.00 0.00 ATOM 122 OD2 ASP 15 -23.162 46.826 72.151 1.00 0.00 ATOM 123 O ASP 15 -20.743 50.989 69.686 1.00 0.00 ATOM 124 C ASP 15 -20.367 49.830 69.475 1.00 0.00 ATOM 125 N PHE 16 -19.094 49.504 69.242 1.00 0.00 ATOM 126 CA PHE 16 -18.014 50.500 69.281 1.00 0.00 ATOM 127 CB PHE 16 -16.654 49.826 69.434 1.00 0.00 ATOM 128 CG PHE 16 -16.418 49.236 70.794 1.00 0.00 ATOM 129 CD1 PHE 16 -17.066 48.060 71.181 1.00 0.00 ATOM 130 CD2 PHE 16 -15.577 49.859 71.701 1.00 0.00 ATOM 131 CE1 PHE 16 -16.876 47.519 72.439 1.00 0.00 ATOM 132 CE2 PHE 16 -15.381 49.322 72.962 1.00 0.00 ATOM 133 CZ PHE 16 -16.039 48.148 73.331 1.00 0.00 ATOM 134 O PHE 16 -17.883 50.854 66.907 1.00 0.00 ATOM 135 C PHE 16 -17.994 51.374 68.036 1.00 0.00 ATOM 136 N LEU 17 -18.038 52.697 68.242 1.00 0.00 ATOM 137 CA LEU 17 -18.010 53.655 67.122 1.00 0.00 ATOM 138 CB LEU 17 -19.185 54.638 67.228 1.00 0.00 ATOM 139 CG LEU 17 -20.561 54.043 67.489 1.00 0.00 ATOM 140 CD1 LEU 17 -21.576 55.157 67.684 1.00 0.00 ATOM 141 CD2 LEU 17 -20.993 53.133 66.341 1.00 0.00 ATOM 142 O LEU 17 -16.024 54.521 68.073 1.00 0.00 ATOM 143 C LEU 17 -16.742 54.434 67.065 1.00 0.00 ATOM 144 N VAL 18 -16.425 54.940 65.864 1.00 0.00 ATOM 145 CA VAL 18 -15.331 55.902 65.660 1.00 0.00 ATOM 146 CB VAL 18 -14.949 56.038 64.152 1.00 0.00 ATOM 147 CG1 VAL 18 -13.834 57.073 63.942 1.00 0.00 ATOM 148 CG2 VAL 18 -14.512 54.690 63.568 1.00 0.00 ATOM 149 O VAL 18 -16.720 57.840 65.497 1.00 0.00 ATOM 150 C VAL 18 -15.871 57.225 66.163 1.00 0.00 ATOM 151 N ASP 19 -15.462 57.637 67.363 1.00 0.00 ATOM 152 CA ASP 19 -16.010 58.884 67.961 1.00 0.00 ATOM 153 CB ASP 19 -16.245 58.711 69.469 1.00 0.00 ATOM 154 CG ASP 19 -17.338 57.701 69.755 1.00 0.00 ATOM 155 OD1 ASP 19 -18.398 57.799 69.089 1.00 0.00 ATOM 156 OD2 ASP 19 -17.132 56.798 70.592 1.00 0.00 ATOM 157 O ASP 19 -15.640 61.263 67.722 1.00 0.00 ATOM 158 C ASP 19 -15.155 60.128 67.661 1.00 0.00 ATOM 159 N GLU 20 -13.895 59.891 67.351 1.00 0.00 ATOM 160 CA GLU 20 -12.932 60.954 67.070 1.00 0.00 ATOM 161 CB GLU 20 -12.387 61.527 68.384 1.00 0.00 ATOM 162 CG GLU 20 -12.212 63.044 68.406 1.00 0.00 ATOM 163 CD GLU 20 -11.396 63.548 69.622 1.00 0.00 ATOM 164 OE1 GLU 20 -11.383 62.877 70.688 1.00 0.00 ATOM 165 OE2 GLU 20 -10.752 64.618 69.492 1.00 0.00 ATOM 166 O GLU 20 -11.452 59.190 66.499 1.00 0.00 ATOM 167 C GLU 20 -11.821 60.333 66.256 1.00 0.00 ATOM 168 N LEU 21 -11.251 61.096 65.326 1.00 0.00 ATOM 169 CA LEU 21 -10.232 60.590 64.425 1.00 0.00 ATOM 170 CB LEU 21 -10.867 59.878 63.221 1.00 0.00 ATOM 171 CG LEU 21 -9.969 59.570 62.013 1.00 0.00 ATOM 172 CD1 LEU 21 -8.719 58.787 62.340 1.00 0.00 ATOM 173 CD2 LEU 21 -10.781 58.801 60.994 1.00 0.00 ATOM 174 O LEU 21 -9.850 62.725 63.419 1.00 0.00 ATOM 175 C LEU 21 -9.350 61.739 63.944 1.00 0.00 ATOM 176 N VAL 22 -8.046 61.606 64.152 1.00 0.00 ATOM 177 CA VAL 22 -7.080 62.564 63.614 1.00 0.00 ATOM 178 CB VAL 22 -6.475 63.472 64.703 1.00 0.00 ATOM 179 CG1 VAL 22 -5.358 64.343 64.112 1.00 0.00 ATOM 180 CG2 VAL 22 -7.547 64.341 65.325 1.00 0.00 ATOM 181 O VAL 22 -5.479 60.786 63.381 1.00 0.00 ATOM 182 C VAL 22 -5.975 61.809 62.890 1.00 0.00 ATOM 183 N CYS 23 -5.617 62.338 61.719 1.00 0.00 ATOM 184 CA CYS 23 -4.554 61.798 60.886 1.00 0.00 ATOM 185 CB CYS 23 -5.076 61.602 59.455 1.00 0.00 ATOM 186 SG CYS 23 -4.315 60.260 58.520 1.00 0.00 ATOM 187 O CYS 23 -3.461 63.851 60.284 1.00 0.00 ATOM 188 C CYS 23 -3.394 62.791 60.918 1.00 0.00 ATOM 189 N GLY 24 -2.352 62.456 61.671 1.00 0.00 ATOM 190 CA GLY 24 -1.170 63.323 61.796 1.00 0.00 ATOM 191 O GLY 24 -0.253 61.894 60.133 1.00 0.00 ATOM 192 C GLY 24 -0.076 62.870 60.866 1.00 0.00 ATOM 193 N THR 25 1.058 63.573 60.914 1.00 0.00 ATOM 194 CA THR 25 2.203 63.303 60.039 1.00 0.00 ATOM 195 CB THR 25 3.278 64.396 60.197 1.00 0.00 ATOM 196 CG2 THR 25 4.478 64.141 59.283 1.00 0.00 ATOM 197 OG1 THR 25 2.705 65.672 59.891 1.00 0.00 ATOM 198 O THR 25 3.375 61.300 59.388 1.00 0.00 ATOM 199 C THR 25 2.880 61.960 60.318 1.00 0.00 ATOM 200 N THR 26 2.913 61.577 61.594 1.00 0.00 ATOM 201 CA THR 26 3.581 60.343 62.024 1.00 0.00 ATOM 202 CB THR 26 4.659 60.665 63.064 1.00 0.00 ATOM 203 CG2 THR 26 5.676 61.634 62.473 1.00 0.00 ATOM 204 OG1 THR 26 4.047 61.267 64.215 1.00 0.00 ATOM 205 O THR 26 3.035 58.096 62.665 1.00 0.00 ATOM 206 C THR 26 2.650 59.273 62.596 1.00 0.00 ATOM 207 N HIS 27 1.443 59.660 63.021 1.00 0.00 ATOM 208 CA HIS 27 0.446 58.683 63.430 1.00 0.00 ATOM 209 CB HIS 27 0.420 58.471 64.952 1.00 0.00 ATOM 210 CG HIS 27 1.632 57.785 65.512 1.00 0.00 ATOM 211 CD2 HIS 27 1.972 56.475 65.573 1.00 0.00 ATOM 212 ND1 HIS 27 2.650 58.477 66.133 1.00 0.00 ATOM 213 CE1 HIS 27 3.569 57.622 66.545 1.00 0.00 ATOM 214 NE2 HIS 27 3.180 56.401 66.219 1.00 0.00 ATOM 215 O HIS 27 -1.219 60.281 62.767 1.00 0.00 ATOM 216 C HIS 27 -0.948 59.105 63.011 1.00 0.00 ATOM 217 N SER 28 -1.820 58.100 62.939 1.00 0.00 ATOM 218 CA SER 28 -3.261 58.275 62.918 1.00 0.00 ATOM 219 CB SER 28 -3.893 57.406 61.834 1.00 0.00 ATOM 220 OG SER 28 -3.667 57.960 60.541 1.00 0.00 ATOM 221 O SER 28 -3.186 56.967 64.920 1.00 0.00 ATOM 222 C SER 28 -3.769 57.852 64.294 1.00 0.00 ATOM 223 N VAL 29 -4.829 58.505 64.769 1.00 0.00 ATOM 224 CA VAL 29 -5.382 58.223 66.100 1.00 0.00 ATOM 225 CB VAL 29 -4.777 59.166 67.187 1.00 0.00 ATOM 226 CG1 VAL 29 -5.175 60.605 66.961 1.00 0.00 ATOM 227 CG2 VAL 29 -5.161 58.710 68.586 1.00 0.00 ATOM 228 O VAL 29 -7.564 59.072 65.449 1.00 0.00 ATOM 229 C VAL 29 -6.927 58.220 66.076 1.00 0.00 ATOM 230 N ILE 30 -7.505 57.223 66.743 1.00 0.00 ATOM 231 CA ILE 30 -8.947 57.081 66.871 1.00 0.00 ATOM 232 CB ILE 30 -9.463 55.888 66.022 1.00 0.00 ATOM 233 CG1 ILE 30 -9.281 56.216 64.539 1.00 0.00 ATOM 234 CG2 ILE 30 -10.903 55.542 66.344 1.00 0.00 ATOM 235 CD1 ILE 30 -9.943 55.257 63.593 1.00 0.00 ATOM 236 O ILE 30 -8.682 56.163 69.047 1.00 0.00 ATOM 237 C ILE 30 -9.329 56.896 68.331 1.00 0.00 ATOM 238 N ARG 31 -10.393 57.587 68.739 1.00 0.00 ATOM 239 CA ARG 31 -11.096 57.350 69.996 1.00 0.00 ATOM 240 CB ARG 31 -11.416 58.660 70.709 1.00 0.00 ATOM 241 CG ARG 31 -12.048 58.426 72.079 1.00 0.00 ATOM 242 CD ARG 31 -12.107 59.704 72.927 1.00 0.00 ATOM 243 NE ARG 31 -13.027 60.718 72.384 1.00 0.00 ATOM 244 CZ ARG 31 -14.349 60.656 72.412 1.00 0.00 ATOM 245 NH1 ARG 31 -14.972 59.612 72.944 1.00 0.00 ATOM 246 NH2 ARG 31 -15.072 61.649 71.887 1.00 0.00 ATOM 247 O ARG 31 -13.163 57.076 68.869 1.00 0.00 ATOM 248 C ARG 31 -12.417 56.659 69.741 1.00 0.00 ATOM 249 N SER 32 -12.701 55.619 70.524 1.00 0.00 ATOM 250 CA SER 32 -14.032 55.009 70.607 1.00 0.00 ATOM 251 CB SER 32 -14.053 53.580 70.030 1.00 0.00 ATOM 252 OG SER 32 -15.354 52.983 70.145 1.00 0.00 ATOM 253 O SER 32 -13.655 54.208 72.805 1.00 0.00 ATOM 254 C SER 32 -14.341 54.942 72.090 1.00 0.00 ATOM 255 N GLY 33 -15.362 55.693 72.532 1.00 0.00 ATOM 256 CA GLY 33 -15.602 55.925 73.959 1.00 0.00 ATOM 257 O GLY 33 -13.821 57.458 74.461 1.00 0.00 ATOM 258 C GLY 33 -14.389 56.405 74.751 1.00 0.00 ATOM 259 N ASN 34 -14.001 55.619 75.752 1.00 0.00 ATOM 260 CA ASN 34 -12.808 55.873 76.584 1.00 0.00 ATOM 261 CB ASN 34 -13.109 55.327 77.998 1.00 0.00 ATOM 262 CG ASN 34 -11.932 55.423 78.954 1.00 0.00 ATOM 263 ND2 ASN 34 -11.573 54.289 79.560 1.00 0.00 ATOM 264 OD1 ASN 34 -11.378 56.500 79.178 1.00 0.00 ATOM 265 O ASN 34 -10.407 55.455 76.610 1.00 0.00 ATOM 266 C ASN 34 -11.482 55.287 76.015 1.00 0.00 ATOM 267 N GLY 35 -11.539 54.625 74.862 1.00 0.00 ATOM 268 CA GLY 35 -10.384 53.912 74.333 1.00 0.00 ATOM 269 O GLY 35 -10.455 55.165 72.288 1.00 0.00 ATOM 270 C GLY 35 -9.755 54.652 73.172 1.00 0.00 ATOM 271 N VAL 36 -8.430 54.692 73.161 1.00 0.00 ATOM 272 CA VAL 36 -7.683 55.360 72.106 1.00 0.00 ATOM 273 CB VAL 36 -6.956 56.616 72.650 1.00 0.00 ATOM 274 CG1 VAL 36 -6.013 57.208 71.580 1.00 0.00 ATOM 275 CG2 VAL 36 -7.970 57.629 73.111 1.00 0.00 ATOM 276 O VAL 36 -5.825 53.830 72.189 1.00 0.00 ATOM 277 C VAL 36 -6.655 54.407 71.482 1.00 0.00 ATOM 278 N GLY 37 -6.720 54.273 70.156 1.00 0.00 ATOM 279 CA GLY 37 -5.768 53.484 69.396 1.00 0.00 ATOM 280 O GLY 37 -5.428 55.402 67.959 1.00 0.00 ATOM 281 C GLY 37 -4.970 54.321 68.416 1.00 0.00 ATOM 282 N LEU 38 -3.769 53.822 68.119 1.00 0.00 ATOM 283 CA LEU 38 -2.768 54.504 67.288 1.00 0.00 ATOM 284 CB LEU 38 -1.522 54.844 68.106 1.00 0.00 ATOM 285 CG LEU 38 -1.641 55.846 69.241 1.00 0.00 ATOM 286 CD1 LEU 38 -0.494 55.664 70.218 1.00 0.00 ATOM 287 CD2 LEU 38 -1.662 57.276 68.688 1.00 0.00 ATOM 288 O LEU 38 -2.350 52.348 66.265 1.00 0.00 ATOM 289 C LEU 38 -2.336 53.596 66.136 1.00 0.00 ATOM 290 N GLY 39 -2.033 54.216 64.998 1.00 0.00 ATOM 291 CA GLY 39 -1.363 53.524 63.889 1.00 0.00 ATOM 292 O GLY 39 -0.499 55.637 63.199 1.00 0.00 ATOM 293 C GLY 39 -0.304 54.421 63.252 1.00 0.00 ATOM 294 N PRO 40 0.849 53.845 62.808 1.00 0.00 ATOM 295 CA PRO 40 1.937 54.671 62.260 1.00 0.00 ATOM 296 CB PRO 40 3.174 53.780 62.435 1.00 0.00 ATOM 297 CG PRO 40 2.648 52.390 62.300 1.00 0.00 ATOM 298 CD PRO 40 1.209 52.416 62.832 1.00 0.00 ATOM 299 O PRO 40 1.362 54.249 59.953 1.00 0.00 ATOM 300 C PRO 40 1.791 55.074 60.783 1.00 0.00 ATOM 301 N ASN 41 2.184 56.318 60.487 1.00 0.00 ATOM 302 CA ASN 41 2.217 56.892 59.128 1.00 0.00 ATOM 303 CB ASN 41 1.529 58.264 59.117 1.00 0.00 ATOM 304 CG ASN 41 0.035 58.161 59.287 1.00 0.00 ATOM 305 ND2 ASN 41 -0.605 59.247 59.717 1.00 0.00 ATOM 306 OD1 ASN 41 -0.540 57.113 59.026 1.00 0.00 ATOM 307 O ASN 41 4.564 56.872 59.439 1.00 0.00 ATOM 308 C ASN 41 3.651 57.091 58.668 1.00 0.00 ATOM 309 N ARG 42 3.846 57.488 57.411 1.00 0.00 ATOM 310 CA ARG 42 5.162 57.958 56.941 1.00 0.00 ATOM 311 CB ARG 42 5.675 57.161 55.728 1.00 0.00 ATOM 312 CG ARG 42 5.425 55.653 55.695 1.00 0.00 ATOM 313 CD ARG 42 5.346 55.189 54.224 1.00 0.00 ATOM 314 NE ARG 42 5.364 53.734 54.036 1.00 0.00 ATOM 315 CZ ARG 42 6.462 52.970 53.940 1.00 0.00 ATOM 316 NH1 ARG 42 7.689 53.498 54.016 1.00 0.00 ATOM 317 NH2 ARG 42 6.329 51.653 53.774 1.00 0.00 ATOM 318 O ARG 42 3.944 59.876 56.176 1.00 0.00 ATOM 319 C ARG 42 5.036 59.431 56.532 1.00 0.00 ATOM 320 N PRO 43 6.154 60.189 56.563 1.00 0.00 ATOM 321 CA PRO 43 6.163 61.534 55.953 1.00 0.00 ATOM 322 CB PRO 43 7.508 62.121 56.403 1.00 0.00 ATOM 323 CG PRO 43 8.382 60.934 56.638 1.00 0.00 ATOM 324 CD PRO 43 7.463 59.841 57.147 1.00 0.00 ATOM 325 O PRO 43 5.645 62.447 53.782 1.00 0.00 ATOM 326 C PRO 43 6.080 61.479 54.416 1.00 0.00 ATOM 327 N PHE 44 6.513 60.357 53.834 1.00 0.00 ATOM 328 CA PHE 44 6.313 60.072 52.410 1.00 0.00 ATOM 329 CB PHE 44 6.903 58.695 52.053 1.00 0.00 ATOM 330 O PHE 44 4.371 61.050 51.353 1.00 0.00 ATOM 331 C PHE 44 4.818 60.121 52.038 1.00 0.00 ATOM 332 N GLU 45 4.058 59.136 52.527 1.00 0.00 ATOM 333 CA GLU 45 2.629 58.967 52.209 1.00 0.00 ATOM 334 CB GLU 45 2.037 57.896 53.131 1.00 0.00 ATOM 335 O GLU 45 2.097 61.145 53.107 1.00 0.00 ATOM 336 C GLU 45 1.798 60.264 52.294 1.00 0.00 ATOM 337 N THR 46 0.757 60.356 51.452 1.00 0.00 ATOM 338 CA THR 46 -0.086 61.568 51.311 1.00 0.00 ATOM 339 CB THR 46 -0.233 61.964 49.825 1.00 0.00 ATOM 340 O THR 46 -2.182 60.425 51.756 1.00 0.00 ATOM 341 C THR 46 -1.508 61.448 51.911 1.00 0.00 ATOM 342 N ARG 47 -1.963 62.526 52.553 1.00 0.00 ATOM 343 CA ARG 47 -3.191 62.525 53.366 1.00 0.00 ATOM 344 CB ARG 47 -3.327 63.839 54.149 1.00 0.00 ATOM 345 O ARG 47 -4.493 62.293 51.345 1.00 0.00 ATOM 346 C ARG 47 -4.477 62.289 52.580 1.00 0.00 ATOM 347 N MET 48 -5.553 62.065 53.329 1.00 0.00 ATOM 348 CA MET 48 -6.865 61.768 52.757 1.00 0.00 ATOM 349 CB MET 48 -7.070 60.263 52.678 1.00 0.00 ATOM 350 CG MET 48 -6.012 59.523 51.902 1.00 0.00 ATOM 351 SD MET 48 -6.334 57.641 52.144 1.00 0.00 ATOM 352 CE MET 48 -7.796 57.440 50.734 1.00 0.00 ATOM 353 O MET 48 -8.661 61.667 54.356 1.00 0.00 ATOM 354 C MET 48 -7.963 62.382 53.621 1.00 0.00 ATOM 355 N PRO 49 -8.125 63.719 53.531 1.00 0.00 ATOM 356 CA PRO 49 -9.073 64.432 54.393 1.00 0.00 ATOM 357 CB PRO 49 -8.938 65.894 53.929 1.00 0.00 ATOM 358 CG PRO 49 -7.603 65.967 53.278 1.00 0.00 ATOM 359 CD PRO 49 -7.425 64.642 52.615 1.00 0.00 ATOM 360 O PRO 49 -11.296 64.090 55.197 1.00 0.00 ATOM 361 C PRO 49 -10.517 63.949 54.257 1.00 0.00 ATOM 362 N MET 50 -10.852 63.362 53.109 1.00 0.00 ATOM 363 CA MET 50 -12.234 62.993 52.784 1.00 0.00 ATOM 364 CB MET 50 -12.436 63.001 51.259 1.00 0.00 ATOM 365 CG MET 50 -11.859 64.241 50.500 1.00 0.00 ATOM 366 SD MET 50 -12.927 65.928 50.580 1.00 0.00 ATOM 367 CE MET 50 -14.483 65.414 49.396 1.00 0.00 ATOM 368 O MET 50 -13.748 61.431 53.816 1.00 0.00 ATOM 369 C MET 50 -12.624 61.626 53.368 1.00 0.00 ATOM 370 N LEU 51 -11.697 60.675 53.350 1.00 0.00 ATOM 371 CA LEU 51 -11.906 59.399 54.038 1.00 0.00 ATOM 372 CB LEU 51 -10.702 58.462 53.792 1.00 0.00 ATOM 373 CG LEU 51 -10.698 57.024 54.349 1.00 0.00 ATOM 374 CD1 LEU 51 -11.557 56.074 53.533 1.00 0.00 ATOM 375 CD2 LEU 51 -9.285 56.508 54.372 1.00 0.00 ATOM 376 O LEU 51 -12.971 59.054 56.195 1.00 0.00 ATOM 377 C LEU 51 -12.098 59.646 55.545 1.00 0.00 ATOM 378 N THR 52 -11.264 60.527 56.085 1.00 0.00 ATOM 379 CA THR 52 -11.245 60.833 57.509 1.00 0.00 ATOM 380 CB THR 52 -10.164 61.905 57.799 1.00 0.00 ATOM 381 CG2 THR 52 -10.208 62.380 59.258 1.00 0.00 ATOM 382 OG1 THR 52 -8.870 61.348 57.508 1.00 0.00 ATOM 383 O THR 52 -13.163 60.717 58.938 1.00 0.00 ATOM 384 C THR 52 -12.611 61.290 58.000 1.00 0.00 ATOM 385 N GLN 53 -13.162 62.303 57.340 1.00 0.00 ATOM 386 CA GLN 53 -14.488 62.815 57.664 1.00 0.00 ATOM 387 CB GLN 53 -14.893 63.898 56.653 1.00 0.00 ATOM 388 O GLN 53 -16.374 61.652 58.615 1.00 0.00 ATOM 389 C GLN 53 -15.551 61.704 57.700 1.00 0.00 ATOM 390 N ASN 54 -15.516 60.804 56.718 1.00 0.00 ATOM 391 CA ASN 54 -16.571 59.801 56.574 1.00 0.00 ATOM 392 CB ASN 54 -16.607 59.254 55.143 1.00 0.00 ATOM 393 CG ASN 54 -17.684 59.916 54.304 1.00 0.00 ATOM 394 ND2 ASN 54 -18.095 59.245 53.240 1.00 0.00 ATOM 395 OD1 ASN 54 -18.161 61.006 54.628 1.00 0.00 ATOM 396 O ASN 54 -17.592 58.080 57.857 1.00 0.00 ATOM 397 C ASN 54 -16.549 58.661 57.579 1.00 0.00 ATOM 398 N LEU 55 -15.391 58.366 58.171 1.00 0.00 ATOM 399 CA LEU 55 -15.331 57.271 59.116 1.00 0.00 ATOM 400 CB LEU 55 -13.886 56.798 59.298 1.00 0.00 ATOM 401 CG LEU 55 -13.243 56.227 58.025 1.00 0.00 ATOM 402 CD1 LEU 55 -11.765 55.979 58.230 1.00 0.00 ATOM 403 CD2 LEU 55 -13.966 54.949 57.564 1.00 0.00 ATOM 404 O LEU 55 -16.466 56.776 61.176 1.00 0.00 ATOM 405 C LEU 55 -15.983 57.647 60.437 1.00 0.00 ATOM 406 N LEU 56 -16.035 58.947 60.724 1.00 0.00 ATOM 407 CA LEU 56 -16.676 59.422 61.950 1.00 0.00 ATOM 408 CB LEU 56 -16.701 60.950 62.021 1.00 0.00 ATOM 409 CG LEU 56 -15.539 61.632 62.708 1.00 0.00 ATOM 410 CD1 LEU 56 -15.907 63.106 62.837 1.00 0.00 ATOM 411 CD2 LEU 56 -15.258 60.999 64.087 1.00 0.00 ATOM 412 O LEU 56 -18.876 59.132 61.108 1.00 0.00 ATOM 413 C LEU 56 -18.092 58.936 62.036 1.00 0.00 ATOM 414 N GLY 57 -18.434 58.323 63.163 1.00 0.00 ATOM 415 CA GLY 57 -19.771 57.776 63.336 1.00 0.00 ATOM 416 O GLY 57 -20.822 55.651 63.437 1.00 0.00 ATOM 417 C GLY 57 -19.918 56.316 62.965 1.00 0.00 ATOM 418 N LEU 58 -19.023 55.783 62.133 1.00 0.00 ATOM 419 CA LEU 58 -19.181 54.408 61.685 1.00 0.00 ATOM 420 CB LEU 58 -18.332 54.132 60.426 1.00 0.00 ATOM 421 CG LEU 58 -18.881 54.766 59.133 1.00 0.00 ATOM 422 CD1 LEU 58 -17.984 54.414 57.955 1.00 0.00 ATOM 423 CD2 LEU 58 -20.272 54.334 58.866 1.00 0.00 ATOM 424 O LEU 58 -17.982 53.841 63.654 1.00 0.00 ATOM 425 C LEU 58 -18.764 53.475 62.788 1.00 0.00 ATOM 426 N PRO 59 -19.274 52.245 62.755 1.00 0.00 ATOM 427 CA PRO 59 -18.708 51.232 63.624 1.00 0.00 ATOM 428 CB PRO 59 -19.393 49.941 63.153 1.00 0.00 ATOM 429 CG PRO 59 -20.702 50.404 62.650 1.00 0.00 ATOM 430 CD PRO 59 -20.401 51.713 61.965 1.00 0.00 ATOM 431 O PRO 59 -16.643 51.087 62.402 1.00 0.00 ATOM 432 C PRO 59 -17.218 51.105 63.503 1.00 0.00 ATOM 433 N LEU 60 -16.588 50.979 64.657 1.00 0.00 ATOM 434 CA LEU 60 -15.184 50.756 64.729 1.00 0.00 ATOM 435 CB LEU 60 -14.817 50.557 66.202 1.00 0.00 ATOM 436 CG LEU 60 -13.446 50.949 66.694 1.00 0.00 ATOM 437 CD1 LEU 60 -13.164 52.435 66.414 1.00 0.00 ATOM 438 CD2 LEU 60 -13.376 50.637 68.182 1.00 0.00 ATOM 439 O LEU 60 -13.705 49.531 63.257 1.00 0.00 ATOM 440 C LEU 60 -14.770 49.543 63.896 1.00 0.00 ATOM 441 N ARG 61 -15.601 48.510 63.889 1.00 0.00 ATOM 442 CA ARG 61 -15.246 47.317 63.126 1.00 0.00 ATOM 443 CB ARG 61 -16.138 46.144 63.501 1.00 0.00 ATOM 444 CG ARG 61 -15.629 44.864 62.886 1.00 0.00 ATOM 445 CD ARG 61 -16.322 43.652 63.416 1.00 0.00 ATOM 446 NE ARG 61 -17.751 43.645 63.151 1.00 0.00 ATOM 447 CZ ARG 61 -18.594 42.809 63.745 1.00 0.00 ATOM 448 NH1 ARG 61 -18.142 41.936 64.648 1.00 0.00 ATOM 449 NH2 ARG 61 -19.889 42.839 63.443 1.00 0.00 ATOM 450 O ARG 61 -14.563 46.900 60.870 1.00 0.00 ATOM 451 C ARG 61 -15.281 47.554 61.613 1.00 0.00 ATOM 452 N VAL 62 -16.130 48.475 61.165 1.00 0.00 ATOM 453 CA VAL 62 -16.207 48.814 59.738 1.00 0.00 ATOM 454 CB VAL 62 -17.507 49.564 59.393 1.00 0.00 ATOM 455 CG1 VAL 62 -17.488 50.026 57.948 1.00 0.00 ATOM 456 CG2 VAL 62 -18.716 48.659 59.622 1.00 0.00 ATOM 457 O VAL 62 -14.260 49.267 58.383 1.00 0.00 ATOM 458 C VAL 62 -14.936 49.606 59.348 1.00 0.00 ATOM 459 N ALA 63 -14.616 50.632 60.121 1.00 0.00 ATOM 460 CA ALA 63 -13.369 51.382 59.957 1.00 0.00 ATOM 461 CB ALA 63 -13.276 52.477 61.003 1.00 0.00 ATOM 462 O ALA 63 -11.131 50.725 59.322 1.00 0.00 ATOM 463 C ALA 63 -12.088 50.491 60.036 1.00 0.00 ATOM 464 N ALA 64 -12.094 49.474 60.902 1.00 0.00 ATOM 465 CA ALA 64 -10.976 48.536 61.019 1.00 0.00 ATOM 466 CB ALA 64 -11.224 47.528 62.135 1.00 0.00 ATOM 467 O ALA 64 -9.535 47.466 59.463 1.00 0.00 ATOM 468 C ALA 64 -10.675 47.813 59.703 1.00 0.00 ATOM 469 N GLY 65 -11.689 47.595 58.863 1.00 0.00 ATOM 470 CA GLY 65 -11.507 47.057 57.520 1.00 0.00 ATOM 471 O GLY 65 -9.924 47.294 55.727 1.00 0.00 ATOM 472 C GLY 65 -10.507 47.836 56.671 1.00 0.00 ATOM 473 N CYS 66 -10.308 49.105 57.006 1.00 0.00 ATOM 474 CA CYS 66 -9.285 49.922 56.339 1.00 0.00 ATOM 475 CB CYS 66 -9.349 51.384 56.793 1.00 0.00 ATOM 476 SG CYS 66 -10.827 52.248 56.327 1.00 0.00 ATOM 477 O CYS 66 -7.005 49.725 55.731 1.00 0.00 ATOM 478 C CYS 66 -7.869 49.413 56.544 1.00 0.00 ATOM 479 N VAL 67 -7.634 48.636 57.606 1.00 0.00 ATOM 480 CA VAL 67 -6.305 48.061 57.876 1.00 0.00 ATOM 481 CB VAL 67 -6.272 47.226 59.197 1.00 0.00 ATOM 482 CG1 VAL 67 -6.985 45.892 59.048 1.00 0.00 ATOM 483 CG2 VAL 67 -4.811 47.021 59.705 1.00 0.00 ATOM 484 O VAL 67 -4.572 47.109 56.486 1.00 0.00 ATOM 485 C VAL 67 -5.787 47.232 56.692 1.00 0.00 ATOM 486 N LYS 68 -6.704 46.698 55.901 1.00 0.00 ATOM 487 CA LYS 68 -6.337 45.868 54.785 1.00 0.00 ATOM 488 CB LYS 68 -7.438 44.873 54.504 1.00 0.00 ATOM 489 CG LYS 68 -7.796 43.907 55.632 1.00 0.00 ATOM 490 CD LYS 68 -8.757 42.877 55.012 1.00 0.00 ATOM 491 CE LYS 68 -9.310 41.846 55.955 1.00 0.00 ATOM 492 NZ LYS 68 -10.801 41.977 56.064 1.00 0.00 ATOM 493 O LYS 68 -5.638 46.044 52.511 1.00 0.00 ATOM 494 C LYS 68 -6.028 46.647 53.523 1.00 0.00 ATOM 495 N SER 69 -6.121 47.975 53.586 1.00 0.00 ATOM 496 CA SER 69 -5.929 48.796 52.391 1.00 0.00 ATOM 497 CB SER 69 -6.347 50.231 52.659 1.00 0.00 ATOM 498 OG SER 69 -6.034 51.043 51.558 1.00 0.00 ATOM 499 O SER 69 -3.552 48.767 52.722 1.00 0.00 ATOM 500 C SER 69 -4.489 48.784 51.914 1.00 0.00 ATOM 501 N TRP 70 -4.304 48.803 50.592 1.00 0.00 ATOM 502 CA TRP 70 -2.937 48.936 50.026 1.00 0.00 ATOM 503 CB TRP 70 -2.858 48.254 48.668 1.00 0.00 ATOM 504 CG TRP 70 -3.005 46.795 48.832 1.00 0.00 ATOM 505 CD1 TRP 70 -4.083 46.031 48.486 1.00 0.00 ATOM 506 CD2 TRP 70 -2.091 45.929 49.508 1.00 0.00 ATOM 507 CE2 TRP 70 -2.655 44.643 49.498 1.00 0.00 ATOM 508 CE3 TRP 70 -0.838 46.119 50.118 1.00 0.00 ATOM 509 NE1 TRP 70 -3.872 44.730 48.867 1.00 0.00 ATOM 510 CZ2 TRP 70 -2.006 43.544 50.048 1.00 0.00 ATOM 511 CZ3 TRP 70 -0.197 45.033 50.661 1.00 0.00 ATOM 512 CH2 TRP 70 -0.776 43.754 50.604 1.00 0.00 ATOM 513 O TRP 70 -1.403 50.669 49.502 1.00 0.00 ATOM 514 C TRP 70 -2.497 50.382 49.947 1.00 0.00 ATOM 515 N ASN 71 -3.372 51.288 50.382 1.00 0.00 ATOM 516 CA ASN 71 -3.024 52.669 50.650 1.00 0.00 ATOM 517 CB ASN 71 -4.225 53.583 50.335 1.00 0.00 ATOM 518 CG ASN 71 -3.951 55.035 50.660 1.00 0.00 ATOM 519 ND2 ASN 71 -4.257 55.894 49.727 1.00 0.00 ATOM 520 OD1 ASN 71 -3.449 55.376 51.743 1.00 0.00 ATOM 521 O ASN 71 -3.472 52.537 53.005 1.00 0.00 ATOM 522 C ASN 71 -2.640 52.719 52.124 1.00 0.00 ATOM 523 N TYR 72 -1.359 52.952 52.395 1.00 0.00 ATOM 524 CA TYR 72 -0.846 52.880 53.743 1.00 0.00 ATOM 525 CB TYR 72 0.696 52.742 53.710 1.00 0.00 ATOM 526 CG TYR 72 1.223 51.392 53.117 1.00 0.00 ATOM 527 CD1 TYR 72 0.394 50.251 52.982 1.00 0.00 ATOM 528 CD2 TYR 72 2.570 51.263 52.731 1.00 0.00 ATOM 529 CE1 TYR 72 0.894 49.033 52.447 1.00 0.00 ATOM 530 CE2 TYR 72 3.074 50.059 52.208 1.00 0.00 ATOM 531 CZ TYR 72 2.239 48.952 52.070 1.00 0.00 ATOM 532 OH TYR 72 2.771 47.778 51.553 1.00 0.00 ATOM 533 O TYR 72 -1.415 53.676 55.936 1.00 0.00 ATOM 534 C TYR 72 -1.350 53.952 54.738 1.00 0.00 ATOM 535 N VAL 73 -1.752 55.127 54.280 1.00 0.00 ATOM 536 CA VAL 73 -2.397 56.095 55.199 1.00 0.00 ATOM 537 CB VAL 73 -2.541 57.486 54.577 1.00 0.00 ATOM 538 CG1 VAL 73 -3.348 58.405 55.486 1.00 0.00 ATOM 539 CG2 VAL 73 -1.178 58.074 54.300 1.00 0.00 ATOM 540 O VAL 73 -4.161 55.738 56.811 1.00 0.00 ATOM 541 C VAL 73 -3.783 55.576 55.668 1.00 0.00 ATOM 542 N GLU 74 -4.535 54.979 54.754 1.00 0.00 ATOM 543 CA GLU 74 -5.806 54.353 55.072 1.00 0.00 ATOM 544 CB GLU 74 -6.502 53.950 53.776 1.00 0.00 ATOM 545 CG GLU 74 -7.734 53.128 53.979 1.00 0.00 ATOM 546 CD GLU 74 -8.572 52.969 52.738 1.00 0.00 ATOM 547 OE1 GLU 74 -8.300 53.671 51.734 1.00 0.00 ATOM 548 OE2 GLU 74 -9.529 52.140 52.789 1.00 0.00 ATOM 549 O GLU 74 -6.334 53.009 56.993 1.00 0.00 ATOM 550 C GLU 74 -5.602 53.166 56.018 1.00 0.00 ATOM 551 N ALA 75 -4.596 52.336 55.743 1.00 0.00 ATOM 552 CA ALA 75 -4.292 51.183 56.602 1.00 0.00 ATOM 553 CB ALA 75 -3.205 50.338 56.003 1.00 0.00 ATOM 554 O ALA 75 -4.353 50.947 58.964 1.00 0.00 ATOM 555 C ALA 75 -3.928 51.592 58.014 1.00 0.00 ATOM 556 N SER 76 -3.216 52.702 58.154 1.00 0.00 ATOM 557 CA SER 76 -2.831 53.208 59.479 1.00 0.00 ATOM 558 CB SER 76 -1.828 54.379 59.379 1.00 0.00 ATOM 559 OG SER 76 -2.465 55.617 59.096 1.00 0.00 ATOM 560 O SER 76 -4.125 53.319 61.468 1.00 0.00 ATOM 561 C SER 76 -4.063 53.592 60.294 1.00 0.00 ATOM 562 N ILE 77 -5.058 54.182 59.642 1.00 0.00 ATOM 563 CA ILE 77 -6.378 54.491 60.251 1.00 0.00 ATOM 564 CB ILE 77 -7.214 55.295 59.242 1.00 0.00 ATOM 565 CG1 ILE 77 -6.545 56.666 59.039 1.00 0.00 ATOM 566 CG2 ILE 77 -8.650 55.451 59.675 1.00 0.00 ATOM 567 CD1 ILE 77 -7.135 57.499 57.904 1.00 0.00 ATOM 568 O ILE 77 -7.679 53.185 61.814 1.00 0.00 ATOM 569 C ILE 77 -7.125 53.229 60.710 1.00 0.00 ATOM 570 N GLY 78 -7.137 52.216 59.847 1.00 0.00 ATOM 571 CA GLY 78 -7.636 50.892 60.177 1.00 0.00 ATOM 572 O GLY 78 -7.676 49.733 62.231 1.00 0.00 ATOM 573 C GLY 78 -6.990 50.299 61.404 1.00 0.00 ATOM 574 N LEU 79 -5.663 50.398 61.525 1.00 0.00 ATOM 575 CA LEU 79 -4.998 49.915 62.738 1.00 0.00 ATOM 576 CB LEU 79 -3.477 49.810 62.531 1.00 0.00 ATOM 577 CG LEU 79 -2.645 49.248 63.700 1.00 0.00 ATOM 578 CD1 LEU 79 -3.103 47.851 64.141 1.00 0.00 ATOM 579 CD2 LEU 79 -1.175 49.218 63.285 1.00 0.00 ATOM 580 O LEU 79 -5.468 50.246 65.059 1.00 0.00 ATOM 581 C LEU 79 -5.313 50.776 63.969 1.00 0.00 ATOM 582 N ALA 80 -5.390 52.093 63.812 1.00 0.00 ATOM 583 CA ALA 80 -5.883 52.945 64.895 1.00 0.00 ATOM 584 CB ALA 80 -5.877 54.425 64.467 1.00 0.00 ATOM 585 O ALA 80 -7.490 52.362 66.624 1.00 0.00 ATOM 586 C ALA 80 -7.279 52.493 65.417 1.00 0.00 ATOM 587 N ALA 81 -8.190 52.160 64.507 1.00 0.00 ATOM 588 CA ALA 81 -9.508 51.671 64.870 1.00 0.00 ATOM 589 CB ALA 81 -10.374 51.508 63.618 1.00 0.00 ATOM 590 O ALA 81 -10.061 50.158 66.664 1.00 0.00 ATOM 591 C ALA 81 -9.430 50.336 65.622 1.00 0.00 ATOM 592 N ILE 82 -8.654 49.394 65.109 1.00 0.00 ATOM 593 CA ILE 82 -8.419 48.138 65.847 1.00 0.00 ATOM 594 CB ILE 82 -7.390 47.260 65.103 1.00 0.00 ATOM 595 CG1 ILE 82 -8.040 46.689 63.848 1.00 0.00 ATOM 596 CG2 ILE 82 -6.836 46.145 66.005 1.00 0.00 ATOM 597 CD1 ILE 82 -7.055 46.126 62.865 1.00 0.00 ATOM 598 O ILE 82 -8.461 47.801 68.245 1.00 0.00 ATOM 599 C ILE 82 -7.954 48.404 67.280 1.00 0.00 ATOM 600 N ASN 83 -7.008 49.335 67.419 1.00 0.00 ATOM 601 CA ASN 83 -6.376 49.568 68.722 1.00 0.00 ATOM 602 CB ASN 83 -5.007 50.242 68.553 1.00 0.00 ATOM 603 CG ASN 83 -3.957 49.293 67.972 1.00 0.00 ATOM 604 ND2 ASN 83 -3.006 49.844 67.247 1.00 0.00 ATOM 605 OD1 ASN 83 -4.016 48.084 68.167 1.00 0.00 ATOM 606 O ASN 83 -7.110 50.288 70.886 1.00 0.00 ATOM 607 C ASN 83 -7.280 50.356 69.663 1.00 0.00 ATOM 608 N ALA 84 -8.257 51.079 69.108 1.00 0.00 ATOM 609 CA ALA 84 -9.269 51.771 69.929 1.00 0.00 ATOM 610 CB ALA 84 -10.136 52.651 69.085 1.00 0.00 ATOM 611 O ALA 84 -10.500 51.025 71.790 1.00 0.00 ATOM 612 C ALA 84 -10.120 50.762 70.687 1.00 0.00 ATOM 613 N TYR 85 -10.407 49.599 70.103 1.00 0.00 ATOM 614 CA TYR 85 -11.068 48.524 70.879 1.00 0.00 ATOM 615 CB TYR 85 -11.667 47.459 69.994 1.00 0.00 ATOM 616 CG TYR 85 -12.192 46.300 70.796 1.00 0.00 ATOM 617 CD1 TYR 85 -13.266 46.465 71.677 1.00 0.00 ATOM 618 CD2 TYR 85 -11.640 45.044 70.670 1.00 0.00 ATOM 619 CE1 TYR 85 -13.746 45.406 72.418 1.00 0.00 ATOM 620 CE2 TYR 85 -12.129 43.974 71.403 1.00 0.00 ATOM 621 CZ TYR 85 -13.173 44.165 72.261 1.00 0.00 ATOM 622 OH TYR 85 -13.617 43.082 72.950 1.00 0.00 ATOM 623 O TYR 85 -10.180 48.002 73.039 1.00 0.00 ATOM 624 C TYR 85 -10.053 47.854 71.834 1.00 0.00 ATOM 625 N TYR 86 -9.068 47.129 71.296 1.00 0.00 ATOM 626 CA TYR 86 -8.223 46.250 72.145 1.00 0.00 ATOM 627 CB TYR 86 -7.294 45.412 71.282 1.00 0.00 ATOM 628 CG TYR 86 -8.009 44.414 70.404 1.00 0.00 ATOM 629 CD1 TYR 86 -8.440 43.195 70.921 1.00 0.00 ATOM 630 CD2 TYR 86 -8.237 44.674 69.051 1.00 0.00 ATOM 631 CE1 TYR 86 -9.109 42.276 70.135 1.00 0.00 ATOM 632 CE2 TYR 86 -8.917 43.746 68.252 1.00 0.00 ATOM 633 CZ TYR 86 -9.347 42.547 68.801 1.00 0.00 ATOM 634 OH TYR 86 -10.002 41.598 68.040 1.00 0.00 ATOM 635 O TYR 86 -7.176 46.375 74.347 1.00 0.00 ATOM 636 C TYR 86 -7.419 46.955 73.245 1.00 0.00 ATOM 637 N ASN 87 -7.033 48.200 72.964 1.00 0.00 ATOM 638 CA ASN 87 -6.171 48.971 73.864 1.00 0.00 ATOM 639 CB ASN 87 -5.029 49.704 73.109 1.00 0.00 ATOM 640 CG ASN 87 -4.148 48.766 72.291 1.00 0.00 ATOM 641 ND2 ASN 87 -3.162 49.338 71.594 1.00 0.00 ATOM 642 OD1 ASN 87 -4.362 47.554 72.260 1.00 0.00 ATOM 643 O ASN 87 -6.372 50.877 75.300 1.00 0.00 ATOM 644 C ASN 87 -6.952 49.966 74.698 1.00 0.00 ATOM 645 N ASN 88 -8.275 49.794 74.718 1.00 0.00 ATOM 646 CA ASN 88 -9.158 50.432 75.674 1.00 0.00 ATOM 647 CB ASN 88 -10.627 50.058 75.327 1.00 0.00 ATOM 648 CG ASN 88 -11.611 50.654 76.256 1.00 0.00 ATOM 649 ND2 ASN 88 -12.648 51.267 75.705 1.00 0.00 ATOM 650 OD1 ASN 88 -11.462 50.569 77.467 1.00 0.00 ATOM 651 O ASN 88 -8.574 48.671 77.172 1.00 0.00 ATOM 652 C ASN 88 -8.743 49.875 77.041 1.00 0.00 ATOM 653 N PRO 89 -8.557 50.740 78.057 1.00 0.00 ATOM 654 CA PRO 89 -8.068 50.211 79.342 1.00 0.00 ATOM 655 CB PRO 89 -8.003 51.460 80.244 1.00 0.00 ATOM 656 CG PRO 89 -8.876 52.460 79.598 1.00 0.00 ATOM 657 CD PRO 89 -8.775 52.194 78.118 1.00 0.00 ATOM 658 O PRO 89 -8.466 48.107 80.424 1.00 0.00 ATOM 659 C PRO 89 -8.976 49.117 79.943 1.00 0.00 ATOM 660 N GLN 90 -10.294 49.296 79.899 1.00 0.00 ATOM 661 CA GLN 90 -11.206 48.259 80.387 1.00 0.00 ATOM 662 CB GLN 90 -12.652 48.790 80.551 1.00 0.00 ATOM 663 O GLN 90 -11.279 45.875 80.078 1.00 0.00 ATOM 664 C GLN 90 -11.188 46.977 79.530 1.00 0.00 ATOM 665 N VAL 91 -11.058 47.100 78.206 1.00 0.00 ATOM 666 CA VAL 91 -11.066 45.913 77.340 1.00 0.00 ATOM 667 CB VAL 91 -11.160 46.272 75.832 1.00 0.00 ATOM 668 CG1 VAL 91 -10.847 45.048 74.960 1.00 0.00 ATOM 669 CG2 VAL 91 -12.532 46.851 75.491 1.00 0.00 ATOM 670 O VAL 91 -9.809 43.903 77.687 1.00 0.00 ATOM 671 C VAL 91 -9.791 45.125 77.568 1.00 0.00 ATOM 672 N ALA 92 -8.683 45.851 77.614 1.00 0.00 ATOM 673 CA ALA 92 -7.376 45.274 77.823 1.00 0.00 ATOM 674 CB ALA 92 -6.309 46.376 77.792 1.00 0.00 ATOM 675 O ALA 92 -6.867 43.376 79.186 1.00 0.00 ATOM 676 C ALA 92 -7.330 44.508 79.140 1.00 0.00 ATOM 677 N ARG 93 -7.820 45.132 80.200 1.00 0.00 ATOM 678 CA ARG 93 -7.934 44.474 81.508 1.00 0.00 ATOM 679 CB ARG 93 -8.506 45.444 82.542 1.00 0.00 ATOM 680 CG ARG 93 -7.498 46.497 83.000 1.00 0.00 ATOM 681 CD ARG 93 -7.618 46.803 84.497 1.00 0.00 ATOM 682 NE ARG 93 -6.587 47.745 84.952 1.00 0.00 ATOM 683 CZ ARG 93 -6.643 49.072 84.806 1.00 0.00 ATOM 684 NH1 ARG 93 -7.682 49.651 84.203 1.00 0.00 ATOM 685 NH2 ARG 93 -5.648 49.829 85.264 1.00 0.00 ATOM 686 O ARG 93 -8.358 42.168 82.015 1.00 0.00 ATOM 687 C ARG 93 -8.767 43.190 81.461 1.00 0.00 ATOM 688 N GLU 94 -9.909 43.236 80.777 1.00 0.00 ATOM 689 CA GLU 94 -10.756 42.048 80.584 1.00 0.00 ATOM 690 CB GLU 94 -12.057 42.425 79.869 1.00 0.00 ATOM 691 CG GLU 94 -12.993 43.277 80.717 1.00 0.00 ATOM 692 CD GLU 94 -14.095 43.974 79.918 1.00 0.00 ATOM 693 OE1 GLU 94 -14.017 44.010 78.664 1.00 0.00 ATOM 694 OE2 GLU 94 -15.047 44.489 80.558 1.00 0.00 ATOM 695 O GLU 94 -10.301 39.753 80.051 1.00 0.00 ATOM 696 C GLU 94 -10.040 40.928 79.816 1.00 0.00 ATOM 697 N HIS 95 -9.144 41.298 78.904 1.00 0.00 ATOM 698 CA HIS 95 -8.320 40.327 78.160 1.00 0.00 ATOM 699 CB HIS 95 -8.004 40.860 76.747 1.00 0.00 ATOM 700 CG HIS 95 -9.189 40.917 75.835 1.00 0.00 ATOM 701 CD2 HIS 95 -10.333 40.192 75.809 1.00 0.00 ATOM 702 ND1 HIS 95 -9.280 41.810 74.788 1.00 0.00 ATOM 703 CE1 HIS 95 -10.422 41.629 74.151 1.00 0.00 ATOM 704 NE2 HIS 95 -11.086 40.658 74.757 1.00 0.00 ATOM 705 O HIS 95 -6.140 39.285 78.276 1.00 0.00 ATOM 706 C HIS 95 -6.993 39.952 78.872 1.00 0.00 ATOM 707 N GLY 96 -6.812 40.390 80.125 1.00 0.00 ATOM 708 CA GLY 96 -5.663 39.979 80.953 1.00 0.00 ATOM 709 O GLY 96 -3.302 40.321 81.140 1.00 0.00 ATOM 710 C GLY 96 -4.394 40.811 80.840 1.00 0.00 ATOM 711 N VAL 97 -4.523 42.063 80.406 1.00 0.00 ATOM 712 CA VAL 97 -3.402 43.002 80.403 1.00 0.00 ATOM 713 CB VAL 97 -3.545 44.044 79.275 1.00 0.00 ATOM 714 CG1 VAL 97 -2.440 45.098 79.354 1.00 0.00 ATOM 715 CG2 VAL 97 -3.540 43.358 77.908 1.00 0.00 ATOM 716 O VAL 97 -4.377 44.189 82.251 1.00 0.00 ATOM 717 C VAL 97 -3.346 43.720 81.749 1.00 0.00 ATOM 718 N ILE 98 -2.148 43.808 82.329 1.00 0.00 ATOM 719 CA ILE 98 -1.969 44.440 83.646 1.00 0.00 ATOM 720 CB ILE 98 -1.281 43.484 84.661 1.00 0.00 ATOM 721 CG1 ILE 98 -2.043 42.152 84.770 1.00 0.00 ATOM 722 CG2 ILE 98 -1.182 44.142 86.037 1.00 0.00 ATOM 723 CD1 ILE 98 -3.496 42.277 85.248 1.00 0.00 ATOM 724 O ILE 98 -0.175 45.844 82.826 1.00 0.00 ATOM 725 C ILE 98 -1.190 45.762 83.533 1.00 0.00 ATOM 726 N PHE 99 -1.692 46.789 84.222 1.00 0.00 ATOM 727 CA PHE 99 -1.099 48.130 84.204 1.00 0.00 ATOM 728 CB PHE 99 -1.275 48.799 82.824 1.00 0.00 ATOM 729 CG PHE 99 -2.712 49.085 82.463 1.00 0.00 ATOM 730 CD1 PHE 99 -3.541 48.067 81.992 1.00 0.00 ATOM 731 CD2 PHE 99 -3.236 50.371 82.601 1.00 0.00 ATOM 732 CE1 PHE 99 -4.867 48.324 81.670 1.00 0.00 ATOM 733 CE2 PHE 99 -4.561 50.636 82.282 1.00 0.00 ATOM 734 CZ PHE 99 -5.377 49.612 81.813 1.00 0.00 ATOM 735 O PHE 99 -2.787 48.713 85.821 1.00 0.00 ATOM 736 C PHE 99 -1.708 49.010 85.308 1.00 0.00 ATOM 737 N SER 100 -0.999 50.085 85.657 1.00 0.00 ATOM 738 CA SER 100 -1.417 51.040 86.694 1.00 0.00 ATOM 739 CB SER 100 -0.187 51.543 87.466 1.00 0.00 ATOM 740 OG SER 100 -0.449 52.786 88.097 1.00 0.00 ATOM 741 O SER 100 -1.975 52.641 84.969 1.00 0.00 ATOM 742 C SER 100 -2.182 52.244 86.121 1.00 0.00 ATOM 743 N ASP 101 -3.059 52.820 86.942 1.00 0.00 ATOM 744 CA ASP 101 -3.753 54.062 86.600 1.00 0.00 ATOM 745 CB ASP 101 -5.192 54.038 87.130 1.00 0.00 ATOM 746 O ASP 101 -3.355 55.792 88.228 1.00 0.00 ATOM 747 C ASP 101 -2.982 55.250 87.184 1.00 0.00 ATOM 748 N ALA 102 -1.894 55.633 86.514 1.00 0.00 ATOM 749 CA ALA 102 -1.047 56.745 86.962 1.00 0.00 ATOM 750 CB ALA 102 -0.257 56.343 88.204 1.00 0.00 ATOM 751 O ALA 102 0.466 58.306 85.933 1.00 0.00 ATOM 752 C ALA 102 -0.098 57.213 85.858 1.00 0.00 ATOM 753 N ASN 110 8.947 46.382 81.330 1.00 0.00 ATOM 754 CA ASN 110 8.388 47.506 80.561 1.00 0.00 ATOM 755 CB ASN 110 8.809 48.851 81.209 1.00 0.00 ATOM 756 CG ASN 110 10.288 48.868 81.677 1.00 0.00 ATOM 757 ND2 ASN 110 10.686 49.969 82.297 1.00 0.00 ATOM 758 OD1 ASN 110 11.051 47.920 81.458 1.00 0.00 ATOM 759 O ASN 110 7.943 46.997 78.209 1.00 0.00 ATOM 760 C ASN 110 8.743 47.458 79.043 1.00 0.00 ATOM 761 N ASP 111 9.944 47.939 78.715 1.00 0.00 ATOM 762 CA ASP 111 10.518 47.895 77.375 1.00 0.00 ATOM 763 CB ASP 111 11.782 48.770 77.380 1.00 0.00 ATOM 764 CG ASP 111 12.487 48.822 76.037 1.00 0.00 ATOM 765 OD1 ASP 111 12.839 47.760 75.470 1.00 0.00 ATOM 766 OD2 ASP 111 12.723 49.944 75.560 1.00 0.00 ATOM 767 O ASP 111 11.603 45.812 77.820 1.00 0.00 ATOM 768 C ASP 111 10.885 46.453 77.045 1.00 0.00 ATOM 769 N PRO 112 10.449 45.939 75.885 1.00 0.00 ATOM 770 CA PRO 112 10.656 44.517 75.616 1.00 0.00 ATOM 771 CB PRO 112 9.784 44.262 74.386 1.00 0.00 ATOM 772 CG PRO 112 9.731 45.542 73.705 1.00 0.00 ATOM 773 CD PRO 112 9.797 46.612 74.756 1.00 0.00 ATOM 774 O PRO 112 12.486 42.993 75.469 1.00 0.00 ATOM 775 C PRO 112 12.105 44.155 75.314 1.00 0.00 ATOM 776 N PHE 113 12.892 45.132 74.871 1.00 0.00 ATOM 777 CA PHE 113 14.288 44.882 74.495 1.00 0.00 ATOM 778 CB PHE 113 14.822 45.983 73.570 1.00 0.00 ATOM 779 CG PHE 113 14.082 46.086 72.245 1.00 0.00 ATOM 780 CD1 PHE 113 14.131 45.051 71.322 1.00 0.00 ATOM 781 CD2 PHE 113 13.335 47.220 71.927 1.00 0.00 ATOM 782 CE1 PHE 113 13.436 45.140 70.099 1.00 0.00 ATOM 783 CE2 PHE 113 12.648 47.319 70.720 1.00 0.00 ATOM 784 CZ PHE 113 12.707 46.286 69.798 1.00 0.00 ATOM 785 O PHE 113 15.905 43.855 75.947 1.00 0.00 ATOM 786 C PHE 113 15.096 44.773 75.781 1.00 0.00 ATOM 787 N ILE 114 14.822 45.683 76.712 1.00 0.00 ATOM 788 CA ILE 114 15.412 45.641 78.050 1.00 0.00 ATOM 789 CB ILE 114 15.102 46.918 78.836 1.00 0.00 ATOM 790 CG1 ILE 114 15.971 48.059 78.302 1.00 0.00 ATOM 791 CG2 ILE 114 15.378 46.739 80.341 1.00 0.00 ATOM 792 CD1 ILE 114 15.338 49.408 78.471 1.00 0.00 ATOM 793 O ILE 114 15.802 43.750 79.440 1.00 0.00 ATOM 794 C ILE 114 14.973 44.421 78.832 1.00 0.00 ATOM 795 N MET 115 13.684 44.126 78.819 1.00 0.00 ATOM 796 CA MET 115 13.173 42.906 79.449 1.00 0.00 ATOM 797 CB MET 115 11.726 42.673 79.041 1.00 0.00 ATOM 798 CG MET 115 10.681 43.483 79.752 1.00 0.00 ATOM 799 SD MET 115 8.956 42.927 78.964 1.00 0.00 ATOM 800 CE MET 115 8.325 41.806 80.501 1.00 0.00 ATOM 801 O MET 115 14.029 40.717 79.873 1.00 0.00 ATOM 802 C MET 115 13.911 41.625 79.059 1.00 0.00 ATOM 803 N SER 116 14.348 41.526 77.803 1.00 0.00 ATOM 804 CA SER 116 14.855 40.258 77.264 1.00 0.00 ATOM 805 CB SER 116 14.110 39.905 75.963 1.00 0.00 ATOM 806 OG SER 116 14.068 41.001 75.067 1.00 0.00 ATOM 807 O SER 116 16.877 39.348 76.357 1.00 0.00 ATOM 808 C SER 116 16.373 40.218 77.062 1.00 0.00 ATOM 809 N GLN 117 17.104 41.121 77.713 1.00 0.00 ATOM 810 CA GLN 117 18.565 41.173 77.581 1.00 0.00 ATOM 811 CB GLN 117 19.157 42.297 78.414 1.00 0.00 ATOM 812 CG GLN 117 18.780 43.686 77.987 1.00 0.00 ATOM 813 CD GLN 117 19.281 44.696 78.996 1.00 0.00 ATOM 814 OE1 GLN 117 18.547 45.141 79.885 1.00 0.00 ATOM 815 NE2 GLN 117 20.555 45.016 78.901 1.00 0.00 ATOM 816 O GLN 117 20.084 39.347 77.369 1.00 0.00 ATOM 817 C GLN 117 19.223 39.890 78.052 1.00 0.00 ATOM 818 N ASN 118 18.839 39.431 79.239 1.00 0.00 ATOM 819 CA ASN 118 19.350 38.163 79.754 1.00 0.00 ATOM 820 CB ASN 118 18.807 37.902 81.161 1.00 0.00 ATOM 821 CG ASN 118 19.546 38.695 82.212 1.00 0.00 ATOM 822 ND2 ASN 118 18.822 39.531 82.947 1.00 0.00 ATOM 823 OD1 ASN 118 20.763 38.564 82.358 1.00 0.00 ATOM 824 O ASN 118 19.930 36.190 78.511 1.00 0.00 ATOM 825 C ASN 118 19.048 36.981 78.834 1.00 0.00 ATOM 826 N GLU 119 17.808 36.897 78.381 1.00 0.00 ATOM 827 CA GLU 119 17.353 35.770 77.574 1.00 0.00 ATOM 828 CB GLU 119 15.876 35.917 77.306 1.00 0.00 ATOM 829 CG GLU 119 15.204 34.614 77.048 1.00 0.00 ATOM 830 CD GLU 119 13.737 34.806 76.899 1.00 0.00 ATOM 831 OE1 GLU 119 13.370 35.874 76.367 1.00 0.00 ATOM 832 OE2 GLU 119 12.970 33.913 77.321 1.00 0.00 ATOM 833 O GLU 119 18.274 34.484 75.781 1.00 0.00 ATOM 834 C GLU 119 18.047 35.605 76.225 1.00 0.00 ATOM 835 N VAL 120 18.370 36.726 75.580 1.00 0.00 ATOM 836 CA VAL 120 18.943 36.711 74.236 1.00 0.00 ATOM 837 CB VAL 120 18.443 37.910 73.396 1.00 0.00 ATOM 838 CG1 VAL 120 16.934 37.949 73.370 1.00 0.00 ATOM 839 CG2 VAL 120 19.014 39.234 73.913 1.00 0.00 ATOM 840 O VAL 120 21.037 36.673 73.119 1.00 0.00 ATOM 841 C VAL 120 20.463 36.680 74.200 1.00 0.00 ATOM 842 N LYS 121 21.108 36.665 75.367 1.00 0.00 ATOM 843 CA LYS 121 22.557 36.670 75.462 1.00 0.00 ATOM 844 CB LYS 121 23.015 36.559 76.939 1.00 0.00 ATOM 845 CG LYS 121 23.151 37.882 77.696 1.00 0.00 ATOM 846 CD LYS 121 24.070 37.734 78.940 1.00 0.00 ATOM 847 CE LYS 121 24.831 39.040 79.275 1.00 0.00 ATOM 848 NZ LYS 121 23.918 40.186 79.602 1.00 0.00 ATOM 849 O LYS 121 22.749 34.358 74.947 1.00 0.00 ATOM 850 C LYS 121 23.140 35.489 74.697 1.00 0.00 ATOM 851 N GLY 122 24.069 35.764 73.784 1.00 0.00 ATOM 852 CA GLY 122 24.727 34.744 72.975 1.00 0.00 ATOM 853 O GLY 122 24.299 33.219 71.191 1.00 0.00 ATOM 854 C GLY 122 23.871 34.137 71.871 1.00 0.00 ATOM 855 N LYS 123 22.670 34.660 71.669 1.00 0.00 ATOM 856 CA LYS 123 21.730 34.083 70.710 1.00 0.00 ATOM 857 CB LYS 123 20.356 33.942 71.352 1.00 0.00 ATOM 858 CG LYS 123 20.341 33.117 72.616 1.00 0.00 ATOM 859 CD LYS 123 20.894 31.724 72.388 1.00 0.00 ATOM 860 CE LYS 123 20.390 30.769 73.439 1.00 0.00 ATOM 861 NZ LYS 123 21.176 29.497 73.450 1.00 0.00 ATOM 862 O LYS 123 22.149 36.042 69.399 1.00 0.00 ATOM 863 C LYS 123 21.640 34.926 69.454 1.00 0.00 ATOM 864 N LYS 124 21.033 34.355 68.430 1.00 0.00 ATOM 865 CA LYS 124 20.805 35.074 67.191 1.00 0.00 ATOM 866 CB LYS 124 20.911 34.146 65.984 1.00 0.00 ATOM 867 CG LYS 124 20.852 34.913 64.664 1.00 0.00 ATOM 868 CD LYS 124 21.500 34.164 63.483 1.00 0.00 ATOM 869 CE LYS 124 21.337 34.946 62.147 1.00 0.00 ATOM 870 NZ LYS 124 22.286 36.088 62.046 1.00 0.00 ATOM 871 O LYS 124 18.383 35.221 67.349 1.00 0.00 ATOM 872 C LYS 124 19.464 35.816 67.201 1.00 0.00 ATOM 873 N VAL 125 19.544 37.125 67.030 1.00 0.00 ATOM 874 CA VAL 125 18.373 38.005 67.175 1.00 0.00 ATOM 875 CB VAL 125 18.540 38.973 68.378 1.00 0.00 ATOM 876 CG1 VAL 125 17.355 39.929 68.489 1.00 0.00 ATOM 877 CG2 VAL 125 18.734 38.186 69.674 1.00 0.00 ATOM 878 O VAL 125 19.015 39.450 65.318 1.00 0.00 ATOM 879 C VAL 125 18.110 38.830 65.902 1.00 0.00 ATOM 880 N GLY 126 16.862 38.821 65.460 1.00 0.00 ATOM 881 CA GLY 126 16.476 39.556 64.267 1.00 0.00 ATOM 882 O GLY 126 14.478 40.250 65.355 1.00 0.00 ATOM 883 C GLY 126 15.453 40.591 64.684 1.00 0.00 ATOM 884 N VAL 127 15.667 41.840 64.275 1.00 0.00 ATOM 885 CA VAL 127 14.738 42.955 64.539 1.00 0.00 ATOM 886 CB VAL 127 15.389 44.048 65.415 1.00 0.00 ATOM 887 CG1 VAL 127 14.407 45.225 65.602 1.00 0.00 ATOM 888 CG2 VAL 127 15.821 43.468 66.777 1.00 0.00 ATOM 889 O VAL 127 15.124 44.020 62.436 1.00 0.00 ATOM 890 C VAL 127 14.298 43.601 63.228 1.00 0.00 ATOM 891 N VAL 128 12.985 43.689 63.010 1.00 0.00 ATOM 892 CA VAL 128 12.437 44.373 61.847 1.00 0.00 ATOM 893 CB VAL 128 11.366 43.524 61.156 1.00 0.00 ATOM 894 CG1 VAL 128 10.776 44.236 59.955 1.00 0.00 ATOM 895 CG2 VAL 128 11.922 42.170 60.739 1.00 0.00 ATOM 896 O VAL 128 10.907 45.723 63.111 1.00 0.00 ATOM 897 C VAL 128 11.820 45.709 62.306 1.00 0.00 ATOM 898 N GLY 129 12.350 46.811 61.777 1.00 0.00 ATOM 899 CA GLY 129 11.922 48.145 62.122 1.00 0.00 ATOM 900 O GLY 129 14.117 48.501 63.049 1.00 0.00 ATOM 901 C GLY 129 13.021 48.985 62.694 1.00 0.00 ATOM 902 N HIS 130 12.725 50.265 62.780 1.00 0.00 ATOM 903 CA HIS 130 13.636 51.227 63.354 1.00 0.00 ATOM 904 CB HIS 130 13.624 52.523 62.548 1.00 0.00 ATOM 905 CG HIS 130 14.568 53.551 63.080 1.00 0.00 ATOM 906 CD2 HIS 130 15.917 53.536 63.208 1.00 0.00 ATOM 907 ND1 HIS 130 14.141 54.741 63.634 1.00 0.00 ATOM 908 CE1 HIS 130 15.192 55.430 64.048 1.00 0.00 ATOM 909 NE2 HIS 130 16.281 54.723 63.799 1.00 0.00 ATOM 910 O HIS 130 12.145 51.945 65.127 1.00 0.00 ATOM 911 C HIS 130 13.250 51.479 64.832 1.00 0.00 ATOM 912 N PHE 131 14.139 51.087 65.741 1.00 0.00 ATOM 913 CA PHE 131 13.979 51.329 67.179 1.00 0.00 ATOM 914 CB PHE 131 13.832 50.007 67.917 1.00 0.00 ATOM 915 CG PHE 131 12.614 49.221 67.470 1.00 0.00 ATOM 916 CD1 PHE 131 11.369 49.524 67.967 1.00 0.00 ATOM 917 CD2 PHE 131 12.721 48.241 66.492 1.00 0.00 ATOM 918 CE1 PHE 131 10.243 48.819 67.538 1.00 0.00 ATOM 919 CE2 PHE 131 11.602 47.555 66.052 1.00 0.00 ATOM 920 CZ PHE 131 10.371 47.838 66.588 1.00 0.00 ATOM 921 O PHE 131 16.329 51.636 67.656 1.00 0.00 ATOM 922 C PHE 131 15.182 52.116 67.697 1.00 0.00 ATOM 923 N PRO 132 14.947 53.330 68.191 1.00 0.00 ATOM 924 CA PRO 132 16.106 54.100 68.639 1.00 0.00 ATOM 925 CB PRO 132 15.475 55.350 69.265 1.00 0.00 ATOM 926 CG PRO 132 14.145 55.463 68.657 1.00 0.00 ATOM 927 CD PRO 132 13.688 54.079 68.334 1.00 0.00 ATOM 928 O PRO 132 16.484 52.681 70.551 1.00 0.00 ATOM 929 C PRO 132 16.995 53.363 69.655 1.00 0.00 ATOM 930 N HIS 133 18.312 53.491 69.485 1.00 0.00 ATOM 931 CA HIS 133 19.345 53.007 70.442 1.00 0.00 ATOM 932 CB HIS 133 19.106 53.547 71.848 1.00 0.00 ATOM 933 CG HIS 133 18.712 54.970 71.865 1.00 0.00 ATOM 934 CD2 HIS 133 17.674 55.602 72.453 1.00 0.00 ATOM 935 ND1 HIS 133 19.416 55.928 71.179 1.00 0.00 ATOM 936 CE1 HIS 133 18.826 57.095 71.341 1.00 0.00 ATOM 937 NE2 HIS 133 17.774 56.927 72.119 1.00 0.00 ATOM 938 O HIS 133 20.211 51.027 71.382 1.00 0.00 ATOM 939 C HIS 133 19.473 51.510 70.558 1.00 0.00 ATOM 940 N LEU 134 18.753 50.777 69.732 1.00 0.00 ATOM 941 CA LEU 134 18.648 49.337 69.903 1.00 0.00 ATOM 942 CB LEU 134 17.641 48.777 68.886 1.00 0.00 ATOM 943 CG LEU 134 17.370 47.290 69.012 1.00 0.00 ATOM 944 CD1 LEU 134 16.776 47.000 70.393 1.00 0.00 ATOM 945 CD2 LEU 134 16.466 46.843 67.915 1.00 0.00 ATOM 946 O LEU 134 20.335 47.737 70.529 1.00 0.00 ATOM 947 C LEU 134 20.003 48.655 69.767 1.00 0.00 ATOM 948 N GLU 135 20.801 49.153 68.828 1.00 0.00 ATOM 949 CA GLU 135 22.155 48.694 68.588 1.00 0.00 ATOM 950 CB GLU 135 22.758 49.525 67.453 1.00 0.00 ATOM 951 CG GLU 135 24.172 49.296 67.095 1.00 0.00 ATOM 952 O GLU 135 23.780 47.843 70.130 1.00 0.00 ATOM 953 C GLU 135 23.010 48.755 69.842 1.00 0.00 ATOM 954 N SER 136 22.876 49.836 70.594 1.00 0.00 ATOM 955 CA SER 136 23.582 49.982 71.838 1.00 0.00 ATOM 956 CB SER 136 23.370 51.407 72.339 1.00 0.00 ATOM 957 OG SER 136 24.045 52.327 71.516 1.00 0.00 ATOM 958 O SER 136 23.928 48.597 73.755 1.00 0.00 ATOM 959 C SER 136 23.132 48.989 72.927 1.00 0.00 ATOM 960 N LEU 137 21.844 48.658 72.954 1.00 0.00 ATOM 961 CA LEU 137 21.279 47.747 73.980 1.00 0.00 ATOM 962 CB LEU 137 19.767 47.950 74.105 1.00 0.00 ATOM 963 O LEU 137 22.005 45.533 74.548 1.00 0.00 ATOM 964 C LEU 137 21.577 46.287 73.676 1.00 0.00 ATOM 965 N LEU 138 21.439 45.911 72.413 1.00 0.00 ATOM 966 CA LEU 138 21.511 44.511 72.026 1.00 0.00 ATOM 967 CB LEU 138 20.309 44.176 71.114 1.00 0.00 ATOM 968 CG LEU 138 18.950 44.006 71.778 1.00 0.00 ATOM 969 CD1 LEU 138 17.974 43.435 70.748 1.00 0.00 ATOM 970 CD2 LEU 138 19.023 43.117 73.008 1.00 0.00 ATOM 971 O LEU 138 23.236 42.935 71.574 1.00 0.00 ATOM 972 C LEU 138 22.805 44.059 71.364 1.00 0.00 ATOM 973 N GLU 139 23.444 44.893 70.554 1.00 0.00 ATOM 974 CA GLU 139 24.605 44.406 69.811 1.00 0.00 ATOM 975 CB GLU 139 25.163 45.447 68.826 1.00 0.00 ATOM 976 CG GLU 139 26.170 44.862 67.772 1.00 0.00 ATOM 977 CD GLU 139 25.600 43.671 66.906 1.00 0.00 ATOM 978 OE1 GLU 139 25.602 42.478 67.367 1.00 0.00 ATOM 979 OE2 GLU 139 25.177 43.932 65.740 1.00 0.00 ATOM 980 O GLU 139 26.358 42.846 70.289 1.00 0.00 ATOM 981 C GLU 139 25.755 43.849 70.675 1.00 0.00 ATOM 982 N PRO 140 26.046 44.470 71.838 1.00 0.00 ATOM 983 CA PRO 140 27.136 43.950 72.682 1.00 0.00 ATOM 984 CB PRO 140 27.214 44.971 73.816 1.00 0.00 ATOM 985 CG PRO 140 26.461 46.169 73.320 1.00 0.00 ATOM 986 CD PRO 140 25.428 45.667 72.431 1.00 0.00 ATOM 987 O PRO 140 27.857 41.841 73.516 1.00 0.00 ATOM 988 C PRO 140 26.896 42.551 73.264 1.00 0.00 ATOM 989 N ILE 141 25.632 42.154 73.424 1.00 0.00 ATOM 990 CA ILE 141 25.273 40.891 74.097 1.00 0.00 ATOM 991 CB ILE 141 24.233 41.123 75.218 1.00 0.00 ATOM 992 CG1 ILE 141 22.893 41.567 74.659 1.00 0.00 ATOM 993 CG2 ILE 141 24.775 42.143 76.239 1.00 0.00 ATOM 994 CD1 ILE 141 21.851 41.790 75.725 1.00 0.00 ATOM 995 O ILE 141 24.583 38.654 73.673 1.00 0.00 ATOM 996 C ILE 141 24.738 39.769 73.205 1.00 0.00 ATOM 997 N CYS 142 24.448 40.036 71.940 1.00 0.00 ATOM 998 CA CYS 142 23.932 39.003 71.069 1.00 0.00 ATOM 999 CB CYS 142 22.408 38.929 71.170 1.00 0.00 ATOM 1000 SG CYS 142 21.452 40.351 70.517 1.00 0.00 ATOM 1001 O CYS 142 25.104 40.176 69.339 1.00 0.00 ATOM 1002 C CYS 142 24.393 39.207 69.642 1.00 0.00 ATOM 1003 N ASP 143 24.047 38.246 68.792 1.00 0.00 ATOM 1004 CA ASP 143 24.263 38.319 67.352 1.00 0.00 ATOM 1005 CB ASP 143 24.494 36.905 66.797 1.00 0.00 ATOM 1006 CG ASP 143 24.681 36.863 65.276 1.00 0.00 ATOM 1007 OD1 ASP 143 24.670 37.926 64.620 1.00 0.00 ATOM 1008 OD2 ASP 143 24.825 35.730 64.741 1.00 0.00 ATOM 1009 O ASP 143 21.996 38.354 66.465 1.00 0.00 ATOM 1010 C ASP 143 23.008 38.996 66.748 1.00 0.00 ATOM 1011 N LEU 144 23.110 40.305 66.571 1.00 0.00 ATOM 1012 CA LEU 144 21.976 41.142 66.181 1.00 0.00 ATOM 1013 CB LEU 144 22.019 42.467 66.949 1.00 0.00 ATOM 1014 CG LEU 144 20.928 43.506 66.628 1.00 0.00 ATOM 1015 CD1 LEU 144 19.568 43.036 67.018 1.00 0.00 ATOM 1016 CD2 LEU 144 21.295 44.822 67.297 1.00 0.00 ATOM 1017 O LEU 144 22.998 41.861 64.141 1.00 0.00 ATOM 1018 C LEU 144 21.968 41.448 64.696 1.00 0.00 ATOM 1019 N SER 145 20.803 41.253 64.070 1.00 0.00 ATOM 1020 CA SER 145 20.525 41.794 62.728 1.00 0.00 ATOM 1021 CB SER 145 20.304 40.681 61.728 1.00 0.00 ATOM 1022 OG SER 145 21.419 39.833 61.638 1.00 0.00 ATOM 1023 O SER 145 18.210 42.254 63.165 1.00 0.00 ATOM 1024 C SER 145 19.286 42.687 62.727 1.00 0.00 ATOM 1025 N ILE 146 19.457 43.913 62.228 1.00 0.00 ATOM 1026 CA ILE 146 18.390 44.908 62.087 1.00 0.00 ATOM 1027 CB ILE 146 18.763 46.289 62.654 1.00 0.00 ATOM 1028 CG1 ILE 146 18.993 46.185 64.177 1.00 0.00 ATOM 1029 CG2 ILE 146 17.621 47.327 62.382 1.00 0.00 ATOM 1030 CD1 ILE 146 19.707 47.334 64.759 1.00 0.00 ATOM 1031 O ILE 146 18.967 45.106 59.784 1.00 0.00 ATOM 1032 C ILE 146 18.060 45.008 60.609 1.00 0.00 ATOM 1033 N LEU 147 16.770 44.891 60.300 1.00 0.00 ATOM 1034 CA LEU 147 16.218 44.931 58.932 1.00 0.00 ATOM 1035 CB LEU 147 15.483 43.633 58.627 1.00 0.00 ATOM 1036 CG LEU 147 16.282 42.325 58.583 1.00 0.00 ATOM 1037 CD1 LEU 147 16.302 41.608 59.928 1.00 0.00 ATOM 1038 CD2 LEU 147 15.680 41.430 57.588 1.00 0.00 ATOM 1039 O LEU 147 14.384 46.184 59.738 1.00 0.00 ATOM 1040 C LEU 147 15.246 46.066 58.866 1.00 0.00 ATOM 1041 N GLU 148 15.383 46.924 57.851 1.00 0.00 ATOM 1042 CA GLU 148 14.489 48.078 57.651 1.00 0.00 ATOM 1043 CB GLU 148 15.146 49.352 58.183 1.00 0.00 ATOM 1044 CG GLU 148 15.471 49.344 59.684 1.00 0.00 ATOM 1045 CD GLU 148 16.478 50.424 60.075 1.00 0.00 ATOM 1046 OE1 GLU 148 17.482 50.580 59.370 1.00 0.00 ATOM 1047 OE2 GLU 148 16.266 51.111 61.098 1.00 0.00 ATOM 1048 O GLU 148 14.993 47.921 55.309 1.00 0.00 ATOM 1049 C GLU 148 14.200 48.291 56.165 1.00 0.00 ATOM 1050 N TRP 149 13.085 48.943 55.849 1.00 0.00 ATOM 1051 CA TRP 149 12.778 49.363 54.464 1.00 0.00 ATOM 1052 CB TRP 149 11.474 50.178 54.377 1.00 0.00 ATOM 1053 CG TRP 149 10.248 49.345 54.306 1.00 0.00 ATOM 1054 CD1 TRP 149 9.214 49.317 55.213 1.00 0.00 ATOM 1055 CD2 TRP 149 9.894 48.418 53.264 1.00 0.00 ATOM 1056 CE2 TRP 149 8.632 47.855 53.613 1.00 0.00 ATOM 1057 CE3 TRP 149 10.520 47.998 52.075 1.00 0.00 ATOM 1058 NE1 TRP 149 8.246 48.420 54.800 1.00 0.00 ATOM 1059 CZ2 TRP 149 7.988 46.897 52.815 1.00 0.00 ATOM 1060 CZ3 TRP 149 9.872 47.038 51.269 1.00 0.00 ATOM 1061 CH2 TRP 149 8.617 46.496 51.654 1.00 0.00 ATOM 1062 O TRP 149 14.250 50.013 52.766 1.00 0.00 ATOM 1063 C TRP 149 13.858 50.205 53.913 1.00 0.00 ATOM 1064 N SER 150 14.308 51.178 54.706 1.00 0.00 ATOM 1065 CA SER 150 15.356 52.092 54.293 1.00 0.00 ATOM 1066 CB SER 150 14.830 53.545 54.226 1.00 0.00 ATOM 1067 OG SER 150 13.765 53.672 53.295 1.00 0.00 ATOM 1068 O SER 150 16.519 52.754 56.259 1.00 0.00 ATOM 1069 C SER 150 16.481 51.996 55.294 1.00 0.00 ATOM 1070 N PRO 151 17.406 51.051 55.089 1.00 0.00 ATOM 1071 CA PRO 151 18.334 50.761 56.166 1.00 0.00 ATOM 1072 CB PRO 151 18.983 49.454 55.716 1.00 0.00 ATOM 1073 CG PRO 151 18.827 49.433 54.242 1.00 0.00 ATOM 1074 CD PRO 151 17.611 50.188 53.914 1.00 0.00 ATOM 1075 O PRO 151 19.942 52.425 55.511 1.00 0.00 ATOM 1076 C PRO 151 19.402 51.822 56.441 1.00 0.00 ATOM 1077 N GLU 152 19.736 51.993 57.721 1.00 0.00 ATOM 1078 CA GLU 152 20.875 52.812 58.125 1.00 0.00 ATOM 1079 CB GLU 152 20.804 53.190 59.605 1.00 0.00 ATOM 1080 CG GLU 152 19.471 53.743 60.130 1.00 0.00 ATOM 1081 CD GLU 152 19.505 53.884 61.660 1.00 0.00 ATOM 1082 OE1 GLU 152 20.290 54.726 62.166 1.00 0.00 ATOM 1083 OE2 GLU 152 18.765 53.137 62.346 1.00 0.00 ATOM 1084 O GLU 152 22.057 50.807 57.637 1.00 0.00 ATOM 1085 C GLU 152 22.123 51.998 57.920 1.00 0.00 ATOM 1086 N GLU 153 23.275 52.614 58.150 1.00 0.00 ATOM 1087 CA GLU 153 24.523 52.046 57.702 1.00 0.00 ATOM 1088 CB GLU 153 25.706 52.950 58.114 1.00 0.00 ATOM 1089 CG GLU 153 26.988 52.510 57.462 1.00 0.00 ATOM 1090 CD GLU 153 28.210 53.142 58.078 1.00 0.00 ATOM 1091 OE1 GLU 153 28.194 54.392 58.197 1.00 0.00 ATOM 1092 OE2 GLU 153 29.169 52.384 58.419 1.00 0.00 ATOM 1093 O GLU 153 25.228 49.760 57.258 1.00 0.00 ATOM 1094 C GLU 153 24.804 50.580 58.102 1.00 0.00 ATOM 1095 N GLY 154 24.632 50.218 59.359 1.00 0.00 ATOM 1096 CA GLY 154 24.892 48.792 59.721 1.00 0.00 ATOM 1097 O GLY 154 23.899 46.600 59.771 1.00 0.00 ATOM 1098 C GLY 154 23.773 47.779 59.446 1.00 0.00 ATOM 1099 N ASP 155 22.680 48.229 58.839 1.00 0.00 ATOM 1100 CA ASP 155 21.449 47.468 58.800 1.00 0.00 ATOM 1101 CB ASP 155 20.289 48.378 59.192 1.00 0.00 ATOM 1102 CG ASP 155 20.492 49.060 60.563 1.00 0.00 ATOM 1103 OD1 ASP 155 21.290 48.554 61.381 1.00 0.00 ATOM 1104 OD2 ASP 155 19.840 50.106 60.808 1.00 0.00 ATOM 1105 O ASP 155 21.753 47.227 56.430 1.00 0.00 ATOM 1106 C ASP 155 21.163 46.850 57.438 1.00 0.00 ATOM 1107 N TYR 156 20.214 45.914 57.420 1.00 0.00 ATOM 1108 CA TYR 156 19.879 45.172 56.211 1.00 0.00 ATOM 1109 CB TYR 156 19.663 43.703 56.529 1.00 0.00 ATOM 1110 CG TYR 156 20.871 43.011 57.032 1.00 0.00 ATOM 1111 CD1 TYR 156 21.177 42.990 58.393 1.00 0.00 ATOM 1112 CD2 TYR 156 21.712 42.365 56.152 1.00 0.00 ATOM 1113 CE1 TYR 156 22.309 42.319 58.854 1.00 0.00 ATOM 1114 CE2 TYR 156 22.826 41.697 56.594 1.00 0.00 ATOM 1115 CZ TYR 156 23.126 41.674 57.932 1.00 0.00 ATOM 1116 OH TYR 156 24.270 40.988 58.317 1.00 0.00 ATOM 1117 O TYR 156 17.720 46.098 56.357 1.00 0.00 ATOM 1118 C TYR 156 18.613 45.687 55.617 1.00 0.00 ATOM 1119 N PRO 157 18.492 45.623 54.287 1.00 0.00 ATOM 1120 CA PRO 157 17.197 45.929 53.703 1.00 0.00 ATOM 1121 CB PRO 157 17.539 46.130 52.220 1.00 0.00 ATOM 1122 CG PRO 157 18.671 45.306 51.989 1.00 0.00 ATOM 1123 CD PRO 157 19.480 45.293 53.244 1.00 0.00 ATOM 1124 O PRO 157 16.589 43.678 54.278 1.00 0.00 ATOM 1125 C PRO 157 16.212 44.799 53.948 1.00 0.00 ATOM 1126 N LEU 158 14.941 45.099 53.820 1.00 0.00 ATOM 1127 CA LEU 158 13.898 44.183 54.143 1.00 0.00 ATOM 1128 CB LEU 158 12.537 44.893 54.013 1.00 0.00 ATOM 1129 CG LEU 158 11.500 44.198 54.861 1.00 0.00 ATOM 1130 CD1 LEU 158 11.870 44.313 56.347 1.00 0.00 ATOM 1131 CD2 LEU 158 10.080 44.753 54.561 1.00 0.00 ATOM 1132 O LEU 158 13.557 41.810 54.002 1.00 0.00 ATOM 1133 C LEU 158 13.879 42.831 53.397 1.00 0.00 ATOM 1134 N PRO 159 14.230 42.797 52.099 1.00 0.00 ATOM 1135 CA PRO 159 14.329 41.467 51.466 1.00 0.00 ATOM 1136 CB PRO 159 14.807 41.802 50.034 1.00 0.00 ATOM 1137 CG PRO 159 14.360 43.218 49.784 1.00 0.00 ATOM 1138 CD PRO 159 14.485 43.885 51.136 1.00 0.00 ATOM 1139 O PRO 159 15.216 39.268 51.878 1.00 0.00 ATOM 1140 C PRO 159 15.294 40.465 52.149 1.00 0.00 ATOM 1141 N ALA 160 16.211 40.940 52.982 1.00 0.00 ATOM 1142 CA ALA 160 17.116 40.066 53.715 1.00 0.00 ATOM 1143 CB ALA 160 18.267 40.868 54.364 1.00 0.00 ATOM 1144 O ALA 160 16.949 38.257 55.244 1.00 0.00 ATOM 1145 C ALA 160 16.398 39.221 54.762 1.00 0.00 ATOM 1146 N SER 161 15.165 39.564 55.082 1.00 0.00 ATOM 1147 CA SER 161 14.331 38.768 55.992 1.00 0.00 ATOM 1148 CB SER 161 12.948 39.398 56.119 1.00 0.00 ATOM 1149 OG SER 161 12.309 39.454 54.879 1.00 0.00 ATOM 1150 O SER 161 14.317 36.424 56.424 1.00 0.00 ATOM 1151 C SER 161 14.235 37.309 55.577 1.00 0.00 ATOM 1152 N GLU 162 14.123 37.060 54.273 1.00 0.00 ATOM 1153 CA GLU 162 14.061 35.711 53.743 1.00 0.00 ATOM 1154 CB GLU 162 13.877 35.736 52.214 1.00 0.00 ATOM 1155 CG GLU 162 12.530 36.276 51.733 1.00 0.00 ATOM 1156 CD GLU 162 11.374 35.292 51.899 1.00 0.00 ATOM 1157 OE1 GLU 162 11.629 34.069 51.959 1.00 0.00 ATOM 1158 OE2 GLU 162 10.213 35.742 51.972 1.00 0.00 ATOM 1159 O GLU 162 15.221 33.646 54.222 1.00 0.00 ATOM 1160 C GLU 162 15.301 34.876 54.088 1.00 0.00 ATOM 1161 N PHE 163 16.434 35.564 54.197 1.00 0.00 ATOM 1162 CA PHE 163 17.725 34.954 54.395 1.00 0.00 ATOM 1163 CB PHE 163 18.817 35.733 53.642 1.00 0.00 ATOM 1164 CG PHE 163 18.665 35.700 52.136 1.00 0.00 ATOM 1165 CD1 PHE 163 17.737 36.496 51.501 1.00 0.00 ATOM 1166 CD2 PHE 163 19.417 34.835 51.370 1.00 0.00 ATOM 1167 CE1 PHE 163 17.584 36.451 50.113 1.00 0.00 ATOM 1168 CE2 PHE 163 19.281 34.800 49.991 1.00 0.00 ATOM 1169 CZ PHE 163 18.360 35.613 49.367 1.00 0.00 ATOM 1170 O PHE 163 18.680 33.960 56.323 1.00 0.00 ATOM 1171 C PHE 163 18.055 34.886 55.882 1.00 0.00 ATOM 1172 N ILE 164 17.616 35.865 56.658 1.00 0.00 ATOM 1173 CA ILE 164 18.091 36.027 58.022 1.00 0.00 ATOM 1174 CB ILE 164 18.358 37.527 58.367 1.00 0.00 ATOM 1175 CG1 ILE 164 19.558 38.018 57.575 1.00 0.00 ATOM 1176 CG2 ILE 164 18.597 37.717 59.878 1.00 0.00 ATOM 1177 CD1 ILE 164 19.874 39.413 57.816 1.00 0.00 ATOM 1178 O ILE 164 17.563 34.838 60.019 1.00 0.00 ATOM 1179 C ILE 164 17.123 35.494 59.062 1.00 0.00 ATOM 1180 N LEU 165 15.826 35.805 58.926 1.00 0.00 ATOM 1181 CA LEU 165 14.895 35.491 60.005 1.00 0.00 ATOM 1182 CB LEU 165 13.511 36.116 59.783 1.00 0.00 ATOM 1183 CG LEU 165 13.490 37.664 59.804 1.00 0.00 ATOM 1184 CD1 LEU 165 12.069 38.194 59.640 1.00 0.00 ATOM 1185 CD2 LEU 165 14.123 38.230 61.059 1.00 0.00 ATOM 1186 O LEU 165 14.546 33.690 61.502 1.00 0.00 ATOM 1187 C LEU 165 14.765 34.003 60.334 1.00 0.00 ATOM 1188 N PRO 166 14.790 33.100 59.320 1.00 0.00 ATOM 1189 CA PRO 166 14.755 31.659 59.624 1.00 0.00 ATOM 1190 CB PRO 166 14.719 31.007 58.231 1.00 0.00 ATOM 1191 CG PRO 166 14.055 32.032 57.369 1.00 0.00 ATOM 1192 CD PRO 166 14.703 33.321 57.866 1.00 0.00 ATOM 1193 O PRO 166 15.742 30.079 61.113 1.00 0.00 ATOM 1194 C PRO 166 15.902 31.129 60.488 1.00 0.00 ATOM 1195 N GLU 167 17.017 31.866 60.559 1.00 0.00 ATOM 1196 CA GLU 167 18.147 31.520 61.443 1.00 0.00 ATOM 1197 CB GLU 167 19.468 32.043 60.865 1.00 0.00 ATOM 1198 CG GLU 167 19.749 31.689 59.424 1.00 0.00 ATOM 1199 CD GLU 167 19.378 30.256 59.102 1.00 0.00 ATOM 1200 OE1 GLU 167 20.162 29.327 59.413 1.00 0.00 ATOM 1201 OE2 GLU 167 18.274 30.055 58.554 1.00 0.00 ATOM 1202 O GLU 167 18.841 31.751 63.729 1.00 0.00 ATOM 1203 C GLU 167 18.017 32.075 62.872 1.00 0.00 ATOM 1204 N CYS 168 17.015 32.910 63.130 1.00 0.00 ATOM 1205 CA CYS 168 16.950 33.647 64.409 1.00 0.00 ATOM 1206 CB CYS 168 16.278 34.993 64.210 1.00 0.00 ATOM 1207 SG CYS 168 17.284 36.111 63.211 1.00 0.00 ATOM 1208 O CYS 168 15.247 32.223 65.295 1.00 0.00 ATOM 1209 C CYS 168 16.264 32.876 65.522 1.00 0.00 ATOM 1210 N ASP 169 16.874 32.924 66.709 1.00 0.00 ATOM 1211 CA ASP 169 16.299 32.382 67.935 1.00 0.00 ATOM 1212 CB ASP 169 17.402 32.217 68.983 1.00 0.00 ATOM 1213 CG ASP 169 18.526 31.329 68.499 1.00 0.00 ATOM 1214 OD1 ASP 169 18.220 30.195 68.067 1.00 0.00 ATOM 1215 OD2 ASP 169 19.699 31.776 68.530 1.00 0.00 ATOM 1216 O ASP 169 14.292 32.801 69.151 1.00 0.00 ATOM 1217 C ASP 169 15.217 33.280 68.512 1.00 0.00 ATOM 1218 N TYR 170 15.381 34.590 68.351 1.00 0.00 ATOM 1219 CA TYR 170 14.402 35.573 68.836 1.00 0.00 ATOM 1220 CB TYR 170 14.883 36.276 70.099 1.00 0.00 ATOM 1221 CG TYR 170 14.978 35.347 71.267 1.00 0.00 ATOM 1222 CD1 TYR 170 13.873 35.112 72.075 1.00 0.00 ATOM 1223 CD2 TYR 170 16.156 34.638 71.531 1.00 0.00 ATOM 1224 CE1 TYR 170 13.938 34.235 73.135 1.00 0.00 ATOM 1225 CE2 TYR 170 16.229 33.736 72.607 1.00 0.00 ATOM 1226 CZ TYR 170 15.105 33.540 73.385 1.00 0.00 ATOM 1227 OH TYR 170 15.140 32.662 74.439 1.00 0.00 ATOM 1228 O TYR 170 15.143 37.077 67.141 1.00 0.00 ATOM 1229 C TYR 170 14.185 36.609 67.763 1.00 0.00 ATOM 1230 N VAL 171 12.929 36.984 67.562 1.00 0.00 ATOM 1231 CA VAL 171 12.574 37.978 66.538 1.00 0.00 ATOM 1232 CB VAL 171 11.897 37.301 65.329 1.00 0.00 ATOM 1233 CG1 VAL 171 11.476 38.329 64.317 1.00 0.00 ATOM 1234 CG2 VAL 171 12.840 36.289 64.703 1.00 0.00 ATOM 1235 O VAL 171 10.678 38.717 67.809 1.00 0.00 ATOM 1236 C VAL 171 11.647 39.038 67.123 1.00 0.00 ATOM 1237 N TYR 172 11.962 40.296 66.854 1.00 0.00 ATOM 1238 CA TYR 172 11.086 41.430 67.161 1.00 0.00 ATOM 1239 CB TYR 172 11.813 42.447 68.065 1.00 0.00 ATOM 1240 CG TYR 172 12.369 41.814 69.296 1.00 0.00 ATOM 1241 CD1 TYR 172 13.561 41.082 69.225 1.00 0.00 ATOM 1242 CD2 TYR 172 11.716 41.904 70.523 1.00 0.00 ATOM 1243 CE1 TYR 172 14.088 40.461 70.322 1.00 0.00 ATOM 1244 CE2 TYR 172 12.260 41.292 71.659 1.00 0.00 ATOM 1245 CZ TYR 172 13.448 40.560 71.539 1.00 0.00 ATOM 1246 OH TYR 172 14.025 39.906 72.603 1.00 0.00 ATOM 1247 O TYR 172 11.530 42.444 65.028 1.00 0.00 ATOM 1248 C TYR 172 10.678 42.138 65.879 1.00 0.00 ATOM 1249 N ILE 173 9.388 42.441 65.748 1.00 0.00 ATOM 1250 CA ILE 173 8.877 43.047 64.548 1.00 0.00 ATOM 1251 CB ILE 173 7.979 42.079 63.744 1.00 0.00 ATOM 1252 CG1 ILE 173 8.709 40.776 63.395 1.00 0.00 ATOM 1253 CG2 ILE 173 7.485 42.729 62.453 1.00 0.00 ATOM 1254 CD1 ILE 173 7.750 39.633 63.027 1.00 0.00 ATOM 1255 O ILE 173 7.136 44.211 65.733 1.00 0.00 ATOM 1256 C ILE 173 8.062 44.284 64.916 1.00 0.00 ATOM 1257 N THR 174 8.402 45.402 64.293 1.00 0.00 ATOM 1258 CA THR 174 7.593 46.587 64.372 1.00 0.00 ATOM 1259 CB THR 174 8.154 47.720 63.516 1.00 0.00 ATOM 1260 CG2 THR 174 8.278 47.314 62.007 1.00 0.00 ATOM 1261 OG1 THR 174 7.291 48.851 63.622 1.00 0.00 ATOM 1262 O THR 174 5.769 45.710 62.994 1.00 0.00 ATOM 1263 C THR 174 6.113 46.393 63.969 1.00 0.00 ATOM 1264 N CYS 175 5.242 47.044 64.723 1.00 0.00 ATOM 1265 CA CYS 175 3.795 46.979 64.461 1.00 0.00 ATOM 1266 CB CYS 175 3.038 47.625 65.623 1.00 0.00 ATOM 1267 SG CYS 175 3.424 49.384 65.851 1.00 0.00 ATOM 1268 O CYS 175 2.396 47.457 62.562 1.00 0.00 ATOM 1269 C CYS 175 3.473 47.669 63.114 1.00 0.00 ATOM 1270 N ALA 176 4.422 48.453 62.563 1.00 0.00 ATOM 1271 CA ALA 176 4.281 48.994 61.186 1.00 0.00 ATOM 1272 CB ALA 176 5.490 49.844 60.774 1.00 0.00 ATOM 1273 O ALA 176 3.563 48.140 59.085 1.00 0.00 ATOM 1274 C ALA 176 4.074 47.881 60.166 1.00 0.00 ATOM 1275 N SER 177 4.489 46.655 60.494 1.00 0.00 ATOM 1276 CA SER 177 4.331 45.533 59.594 1.00 0.00 ATOM 1277 CB SER 177 5.113 44.334 60.084 1.00 0.00 ATOM 1278 OG SER 177 4.653 43.953 61.371 1.00 0.00 ATOM 1279 O SER 177 2.534 44.524 58.394 1.00 0.00 ATOM 1280 C SER 177 2.869 45.129 59.398 1.00 0.00 ATOM 1281 N VAL 178 2.011 45.459 60.351 1.00 0.00 ATOM 1282 CA VAL 178 0.570 45.268 60.198 1.00 0.00 ATOM 1283 CB VAL 178 -0.200 45.643 61.512 1.00 0.00 ATOM 1284 CG1 VAL 178 -1.724 45.538 61.317 1.00 0.00 ATOM 1285 CG2 VAL 178 0.262 44.759 62.623 1.00 0.00 ATOM 1286 O VAL 178 -0.642 45.699 58.172 1.00 0.00 ATOM 1287 C VAL 178 0.080 46.150 59.084 1.00 0.00 ATOM 1288 N VAL 179 0.478 47.414 59.152 1.00 0.00 ATOM 1289 CA VAL 179 0.030 48.404 58.180 1.00 0.00 ATOM 1290 CB VAL 179 0.521 49.812 58.572 1.00 0.00 ATOM 1291 CG1 VAL 179 0.208 50.817 57.472 1.00 0.00 ATOM 1292 CG2 VAL 179 -0.106 50.262 59.912 1.00 0.00 ATOM 1293 O VAL 179 -0.235 48.198 55.796 1.00 0.00 ATOM 1294 C VAL 179 0.513 48.089 56.767 1.00 0.00 ATOM 1295 N ASP 180 1.771 47.698 56.614 1.00 0.00 ATOM 1296 CA ASP 180 2.228 47.472 55.247 1.00 0.00 ATOM 1297 CB ASP 180 3.645 48.025 55.029 1.00 0.00 ATOM 1298 CG ASP 180 4.632 47.395 55.888 1.00 0.00 ATOM 1299 OD1 ASP 180 4.363 46.242 56.292 1.00 0.00 ATOM 1300 OD2 ASP 180 5.685 48.035 56.146 1.00 0.00 ATOM 1301 O ASP 180 2.331 45.744 53.579 1.00 0.00 ATOM 1302 C ASP 180 2.033 46.028 54.731 1.00 0.00 ATOM 1303 N LYS 181 1.462 45.161 55.562 1.00 0.00 ATOM 1304 CA LYS 181 1.123 43.778 55.170 1.00 0.00 ATOM 1305 CB LYS 181 0.177 43.735 53.970 1.00 0.00 ATOM 1306 CG LYS 181 -1.332 43.606 54.335 1.00 0.00 ATOM 1307 CD LYS 181 -1.936 44.841 54.971 1.00 0.00 ATOM 1308 CE LYS 181 -2.127 45.974 53.945 1.00 0.00 ATOM 1309 NZ LYS 181 -2.574 47.208 54.689 1.00 0.00 ATOM 1310 O LYS 181 2.237 41.823 54.327 1.00 0.00 ATOM 1311 C LYS 181 2.333 42.871 54.954 1.00 0.00 ATOM 1312 N THR 182 3.464 43.252 55.527 1.00 0.00 ATOM 1313 CA THR 182 4.655 42.379 55.549 1.00 0.00 ATOM 1314 CB THR 182 5.956 43.209 55.723 1.00 0.00 ATOM 1315 CG2 THR 182 6.194 44.033 54.487 1.00 0.00 ATOM 1316 OG1 THR 182 5.857 44.060 56.876 1.00 0.00 ATOM 1317 O THR 182 5.240 40.304 56.624 1.00 0.00 ATOM 1318 C THR 182 4.545 41.334 56.655 1.00 0.00 ATOM 1319 N LEU 183 3.670 41.587 57.628 1.00 0.00 ATOM 1320 CA LEU 183 3.649 40.780 58.846 1.00 0.00 ATOM 1321 CB LEU 183 2.614 41.310 59.855 1.00 0.00 ATOM 1322 CG LEU 183 2.531 40.570 61.195 1.00 0.00 ATOM 1323 CD1 LEU 183 3.827 40.665 61.968 1.00 0.00 ATOM 1324 CD2 LEU 183 1.397 41.136 62.062 1.00 0.00 ATOM 1325 O LEU 183 4.165 38.477 59.144 1.00 0.00 ATOM 1326 C LEU 183 3.437 39.275 58.597 1.00 0.00 ATOM 1327 N PRO 184 2.427 38.887 57.798 1.00 0.00 ATOM 1328 CA PRO 184 2.207 37.429 57.697 1.00 0.00 ATOM 1329 CB PRO 184 1.022 37.315 56.744 1.00 0.00 ATOM 1330 CG PRO 184 0.318 38.673 56.820 1.00 0.00 ATOM 1331 CD PRO 184 1.406 39.671 57.049 1.00 0.00 ATOM 1332 O PRO 184 3.776 35.637 57.733 1.00 0.00 ATOM 1333 C PRO 184 3.440 36.683 57.185 1.00 0.00 ATOM 1334 N ARG 185 4.151 37.217 56.193 1.00 0.00 ATOM 1335 CA ARG 185 5.336 36.511 55.683 1.00 0.00 ATOM 1336 CB ARG 185 5.846 37.106 54.368 1.00 0.00 ATOM 1337 CG ARG 185 7.121 36.404 53.849 1.00 0.00 ATOM 1338 CD ARG 185 6.876 34.900 53.696 1.00 0.00 ATOM 1339 NE ARG 185 8.048 34.226 53.153 1.00 0.00 ATOM 1340 CZ ARG 185 8.171 32.901 53.032 1.00 0.00 ATOM 1341 NH1 ARG 185 7.208 32.103 53.432 1.00 0.00 ATOM 1342 NH2 ARG 185 9.288 32.381 52.552 1.00 0.00 ATOM 1343 O ARG 185 7.105 35.496 56.971 1.00 0.00 ATOM 1344 C ARG 185 6.445 36.504 56.748 1.00 0.00 ATOM 1345 N LEU 186 6.612 37.630 57.435 1.00 0.00 ATOM 1346 CA LEU 186 7.592 37.717 58.497 1.00 0.00 ATOM 1347 CB LEU 186 7.603 39.106 59.134 1.00 0.00 ATOM 1348 CG LEU 186 8.106 40.241 58.245 1.00 0.00 ATOM 1349 CD1 LEU 186 7.994 41.564 58.972 1.00 0.00 ATOM 1350 CD2 LEU 186 9.530 40.039 57.726 1.00 0.00 ATOM 1351 O LEU 186 8.284 36.071 60.068 1.00 0.00 ATOM 1352 C LEU 186 7.343 36.685 59.571 1.00 0.00 ATOM 1353 N LEU 187 6.084 36.527 59.944 1.00 0.00 ATOM 1354 CA LEU 187 5.687 35.469 60.892 1.00 0.00 ATOM 1355 CB LEU 187 4.194 35.572 61.240 1.00 0.00 ATOM 1356 CG LEU 187 3.804 36.856 62.016 1.00 0.00 ATOM 1357 CD1 LEU 187 2.329 36.843 62.398 1.00 0.00 ATOM 1358 CD2 LEU 187 4.687 37.016 63.247 1.00 0.00 ATOM 1359 O LEU 187 6.544 33.271 61.215 1.00 0.00 ATOM 1360 C LEU 187 6.047 34.071 60.421 1.00 0.00 ATOM 1361 N GLU 188 5.801 33.764 59.152 1.00 0.00 ATOM 1362 CA GLU 188 6.170 32.458 58.594 1.00 0.00 ATOM 1363 CB GLU 188 5.562 32.278 57.201 1.00 0.00 ATOM 1364 CG GLU 188 5.921 30.946 56.507 1.00 0.00 ATOM 1365 CD GLU 188 5.114 29.720 56.999 1.00 0.00 ATOM 1366 OE1 GLU 188 4.411 29.818 58.030 1.00 0.00 ATOM 1367 OE2 GLU 188 5.194 28.658 56.338 1.00 0.00 ATOM 1368 O GLU 188 8.185 31.184 58.923 1.00 0.00 ATOM 1369 C GLU 188 7.688 32.254 58.567 1.00 0.00 ATOM 1370 N LEU 189 8.442 33.280 58.192 1.00 0.00 ATOM 1371 CA LEU 189 9.883 33.177 58.213 1.00 0.00 ATOM 1372 CB LEU 189 10.506 34.462 57.648 1.00 0.00 ATOM 1373 CG LEU 189 10.259 34.671 56.172 1.00 0.00 ATOM 1374 CD1 LEU 189 10.674 36.079 55.786 1.00 0.00 ATOM 1375 CD2 LEU 189 11.012 33.637 55.406 1.00 0.00 ATOM 1376 O LEU 189 11.476 32.272 59.764 1.00 0.00 ATOM 1377 C LEU 189 10.446 32.931 59.615 1.00 0.00 ATOM 1378 N SER 190 9.787 33.494 60.620 1.00 0.00 ATOM 1379 CA SER 190 10.265 33.460 62.001 1.00 0.00 ATOM 1380 CB SER 190 9.922 34.799 62.671 1.00 0.00 ATOM 1381 OG SER 190 10.367 35.905 61.882 1.00 0.00 ATOM 1382 O SER 190 9.942 32.217 64.020 1.00 0.00 ATOM 1383 C SER 190 9.667 32.321 62.832 1.00 0.00 ATOM 1384 N ARG 191 8.836 31.470 62.228 1.00 0.00 ATOM 1385 CA ARG 191 7.995 30.556 63.013 1.00 0.00 ATOM 1386 CB ARG 191 7.052 29.754 62.124 1.00 0.00 ATOM 1387 CG ARG 191 7.732 28.786 61.219 1.00 0.00 ATOM 1388 CD ARG 191 6.714 28.136 60.292 1.00 0.00 ATOM 1389 NE ARG 191 7.351 27.063 59.542 1.00 0.00 ATOM 1390 CZ ARG 191 8.213 27.240 58.542 1.00 0.00 ATOM 1391 NH1 ARG 191 8.545 28.465 58.137 1.00 0.00 ATOM 1392 NH2 ARG 191 8.746 26.179 57.935 1.00 0.00 ATOM 1393 O ARG 191 8.223 29.171 64.947 1.00 0.00 ATOM 1394 C ARG 191 8.776 29.612 63.948 1.00 0.00 ATOM 1395 N ASN 192 10.047 29.342 63.647 1.00 0.00 ATOM 1396 CA ASN 192 10.860 28.482 64.495 1.00 0.00 ATOM 1397 CB ASN 192 11.711 27.545 63.632 1.00 0.00 ATOM 1398 CG ASN 192 10.864 26.586 62.782 1.00 0.00 ATOM 1399 ND2 ASN 192 11.294 26.368 61.547 1.00 0.00 ATOM 1400 OD1 ASN 192 9.853 26.054 63.230 1.00 0.00 ATOM 1401 O ASN 192 12.550 28.599 66.192 1.00 0.00 ATOM 1402 C ASN 192 11.748 29.227 65.503 1.00 0.00 ATOM 1403 N ALA 193 11.620 30.551 65.603 1.00 0.00 ATOM 1404 CA ALA 193 12.201 31.286 66.737 1.00 0.00 ATOM 1405 CB ALA 193 11.898 32.765 66.603 1.00 0.00 ATOM 1406 O ALA 193 10.489 30.342 68.106 1.00 0.00 ATOM 1407 C ALA 193 11.628 30.764 68.068 1.00 0.00 ATOM 1408 N ARG 194 12.389 30.846 69.157 1.00 0.00 ATOM 1409 CA ARG 194 11.831 30.558 70.486 1.00 0.00 ATOM 1410 CB ARG 194 12.902 30.581 71.593 1.00 0.00 ATOM 1411 CG ARG 194 14.224 29.871 71.285 1.00 0.00 ATOM 1412 CD ARG 194 15.072 29.659 72.561 1.00 0.00 ATOM 1413 NE ARG 194 16.482 29.335 72.291 1.00 0.00 ATOM 1414 O ARG 194 9.739 31.247 71.483 1.00 0.00 ATOM 1415 C ARG 194 10.721 31.573 70.825 1.00 0.00 ATOM 1416 N ARG 195 10.884 32.811 70.382 1.00 0.00 ATOM 1417 CA ARG 195 9.867 33.817 70.579 1.00 0.00 ATOM 1418 CB ARG 195 10.043 34.467 71.937 1.00 0.00 ATOM 1419 CG ARG 195 8.921 35.452 72.256 1.00 0.00 ATOM 1420 CD ARG 195 9.322 36.337 73.383 1.00 0.00 ATOM 1421 NE ARG 195 9.448 35.535 74.580 1.00 0.00 ATOM 1422 CZ ARG 195 10.343 35.740 75.539 1.00 0.00 ATOM 1423 NH1 ARG 195 11.217 36.747 75.462 1.00 0.00 ATOM 1424 NH2 ARG 195 10.359 34.922 76.588 1.00 0.00 ATOM 1425 O ARG 195 10.957 35.411 69.138 1.00 0.00 ATOM 1426 C ARG 195 9.875 34.907 69.519 1.00 0.00 ATOM 1427 N ILE 196 8.655 35.292 69.104 1.00 0.00 ATOM 1428 CA ILE 196 8.399 36.427 68.214 1.00 0.00 ATOM 1429 CB ILE 196 7.672 36.004 66.912 1.00 0.00 ATOM 1430 CG1 ILE 196 8.370 34.834 66.233 1.00 0.00 ATOM 1431 CG2 ILE 196 7.571 37.236 65.935 1.00 0.00 ATOM 1432 CD1 ILE 196 7.456 34.073 65.292 1.00 0.00 ATOM 1433 O ILE 196 6.465 37.098 69.508 1.00 0.00 ATOM 1434 C ILE 196 7.521 37.454 68.946 1.00 0.00 ATOM 1435 N THR 197 7.972 38.706 68.931 1.00 0.00 ATOM 1436 CA THR 197 7.345 39.824 69.633 1.00 0.00 ATOM 1437 CB THR 197 8.321 40.430 70.681 1.00 0.00 ATOM 1438 CG2 THR 197 7.687 41.545 71.484 1.00 0.00 ATOM 1439 OG1 THR 197 8.776 39.409 71.580 1.00 0.00 ATOM 1440 O THR 197 7.806 41.241 67.783 1.00 0.00 ATOM 1441 C THR 197 6.986 40.906 68.641 1.00 0.00 ATOM 1442 N LEU 198 5.754 41.414 68.724 1.00 0.00 ATOM 1443 CA LEU 198 5.292 42.600 67.963 1.00 0.00 ATOM 1444 CB LEU 198 3.857 42.426 67.495 1.00 0.00 ATOM 1445 CG LEU 198 3.381 43.343 66.374 1.00 0.00 ATOM 1446 CD1 LEU 198 4.000 42.965 65.067 1.00 0.00 ATOM 1447 CD2 LEU 198 1.835 43.225 66.289 1.00 0.00 ATOM 1448 O LEU 198 4.980 43.731 70.014 1.00 0.00 ATOM 1449 C LEU 198 5.405 43.796 68.865 1.00 0.00 ATOM 1450 N VAL 199 6.048 44.864 68.382 1.00 0.00 ATOM 1451 CA VAL 199 6.455 45.975 69.239 1.00 0.00 ATOM 1452 CB VAL 199 8.028 46.029 69.445 1.00 0.00 ATOM 1453 CG1 VAL 199 8.425 47.124 70.447 1.00 0.00 ATOM 1454 CG2 VAL 199 8.565 44.719 69.889 1.00 0.00 ATOM 1455 O VAL 199 6.285 47.560 67.445 1.00 0.00 ATOM 1456 C VAL 199 6.094 47.314 68.644 1.00 0.00 ATOM 1457 N GLY 200 5.630 48.211 69.507 1.00 0.00 ATOM 1458 CA GLY 200 5.476 49.602 69.158 1.00 0.00 ATOM 1459 O GLY 200 3.235 49.289 69.964 1.00 0.00 ATOM 1460 C GLY 200 4.087 50.082 69.582 1.00 0.00 ATOM 1461 N PRO 201 3.866 51.393 69.515 1.00 0.00 ATOM 1462 CA PRO 201 2.622 52.018 69.930 1.00 0.00 ATOM 1463 CB PRO 201 2.866 53.493 69.594 1.00 0.00 ATOM 1464 CG PRO 201 4.332 53.649 69.648 1.00 0.00 ATOM 1465 CD PRO 201 4.858 52.396 69.074 1.00 0.00 ATOM 1466 O PRO 201 0.264 51.552 69.821 1.00 0.00 ATOM 1467 C PRO 201 1.353 51.514 69.224 1.00 0.00 ATOM 1468 N GLY 202 1.505 51.043 67.983 1.00 0.00 ATOM 1469 CA GLY 202 0.433 50.500 67.177 1.00 0.00 ATOM 1470 O GLY 202 -0.523 48.401 66.483 1.00 0.00 ATOM 1471 C GLY 202 0.201 48.994 67.289 1.00 0.00 ATOM 1472 N THR 203 0.772 48.381 68.314 1.00 0.00 ATOM 1473 CA THR 203 0.561 46.971 68.585 1.00 0.00 ATOM 1474 CB THR 203 1.663 46.430 69.487 1.00 0.00 ATOM 1475 CG2 THR 203 1.453 44.950 69.753 1.00 0.00 ATOM 1476 OG1 THR 203 2.947 46.674 68.863 1.00 0.00 ATOM 1477 O THR 203 -1.034 47.413 70.335 1.00 0.00 ATOM 1478 C THR 203 -0.785 46.788 69.288 1.00 0.00 ATOM 1479 N PRO 204 -1.675 45.972 68.690 1.00 0.00 ATOM 1480 CA PRO 204 -2.910 45.591 69.367 1.00 0.00 ATOM 1481 CB PRO 204 -3.758 44.951 68.239 1.00 0.00 ATOM 1482 CG PRO 204 -3.011 45.166 66.963 1.00 0.00 ATOM 1483 CD PRO 204 -1.594 45.416 67.324 1.00 0.00 ATOM 1484 O PRO 204 -1.961 43.621 70.333 1.00 0.00 ATOM 1485 C PRO 204 -2.669 44.614 70.505 1.00 0.00 ATOM 1486 N LEU 205 -3.272 44.887 71.653 1.00 0.00 ATOM 1487 CA LEU 205 -3.111 44.064 72.828 1.00 0.00 ATOM 1488 CB LEU 205 -3.141 44.958 74.068 1.00 0.00 ATOM 1489 CG LEU 205 -1.985 45.985 74.111 1.00 0.00 ATOM 1490 CD1 LEU 205 -2.244 47.063 75.132 1.00 0.00 ATOM 1491 CD2 LEU 205 -0.627 45.326 74.396 1.00 0.00 ATOM 1492 O LEU 205 -5.000 42.855 73.762 1.00 0.00 ATOM 1493 C LEU 205 -4.176 42.972 72.836 1.00 0.00 ATOM 1494 N ALA 206 -4.105 42.167 71.775 1.00 0.00 ATOM 1495 CA ALA 206 -5.136 41.252 71.336 1.00 0.00 ATOM 1496 CB ALA 206 -5.486 41.556 69.901 1.00 0.00 ATOM 1497 O ALA 206 -3.922 39.324 70.519 1.00 0.00 ATOM 1498 C ALA 206 -4.600 39.821 71.447 1.00 0.00 ATOM 1499 N PRO 207 -4.869 39.159 72.586 1.00 0.00 ATOM 1500 CA PRO 207 -4.412 37.786 72.833 1.00 0.00 ATOM 1501 CB PRO 207 -5.152 37.389 74.106 1.00 0.00 ATOM 1502 CG PRO 207 -5.459 38.666 74.799 1.00 0.00 ATOM 1503 CD PRO 207 -5.625 39.707 73.727 1.00 0.00 ATOM 1504 O PRO 207 -4.064 35.791 71.595 1.00 0.00 ATOM 1505 C PRO 207 -4.732 36.803 71.711 1.00 0.00 ATOM 1506 N VAL 208 -5.741 37.086 70.888 1.00 0.00 ATOM 1507 CA VAL 208 -6.033 36.253 69.725 1.00 0.00 ATOM 1508 CB VAL 208 -7.288 36.781 68.934 1.00 0.00 ATOM 1509 CG1 VAL 208 -6.954 38.017 68.118 1.00 0.00 ATOM 1510 CG2 VAL 208 -7.883 35.691 68.051 1.00 0.00 ATOM 1511 O VAL 208 -4.562 35.077 68.197 1.00 0.00 ATOM 1512 C VAL 208 -4.797 36.121 68.817 1.00 0.00 ATOM 1513 N LEU 209 -3.963 37.152 68.798 1.00 0.00 ATOM 1514 CA LEU 209 -2.706 37.103 68.048 1.00 0.00 ATOM 1515 CB LEU 209 -2.012 38.477 68.098 1.00 0.00 ATOM 1516 CG LEU 209 -2.821 39.638 67.476 1.00 0.00 ATOM 1517 CD1 LEU 209 -2.216 40.995 67.757 1.00 0.00 ATOM 1518 CD2 LEU 209 -3.025 39.471 65.971 1.00 0.00 ATOM 1519 O LEU 209 -0.960 35.471 67.681 1.00 0.00 ATOM 1520 C LEU 209 -1.759 35.954 68.484 1.00 0.00 ATOM 1521 N PHE 210 -1.896 35.468 69.720 1.00 0.00 ATOM 1522 CA PHE 210 -1.062 34.368 70.208 1.00 0.00 ATOM 1523 CB PHE 210 -1.166 34.237 71.733 1.00 0.00 ATOM 1524 CG PHE 210 -0.721 35.460 72.504 1.00 0.00 ATOM 1525 CD1 PHE 210 0.402 36.190 72.122 1.00 0.00 ATOM 1526 CD2 PHE 210 -1.411 35.849 73.648 1.00 0.00 ATOM 1527 CE1 PHE 210 0.800 37.304 72.836 1.00 0.00 ATOM 1528 CE2 PHE 210 -1.001 36.952 74.378 1.00 0.00 ATOM 1529 CZ PHE 210 0.102 37.676 73.970 1.00 0.00 ATOM 1530 O PHE 210 -0.709 32.050 69.659 1.00 0.00 ATOM 1531 C PHE 210 -1.443 33.033 69.566 1.00 0.00 ATOM 1532 N GLU 211 -2.612 33.019 68.932 1.00 0.00 ATOM 1533 CA GLU 211 -3.106 31.887 68.155 1.00 0.00 ATOM 1534 CB GLU 211 -4.633 31.774 68.343 1.00 0.00 ATOM 1535 CG GLU 211 -5.073 31.767 69.837 1.00 0.00 ATOM 1536 CD GLU 211 -6.595 31.989 70.044 1.00 0.00 ATOM 1537 OE1 GLU 211 -7.372 31.939 69.059 1.00 0.00 ATOM 1538 OE2 GLU 211 -7.020 32.221 71.201 1.00 0.00 ATOM 1539 O GLU 211 -3.011 31.176 65.865 1.00 0.00 ATOM 1540 C GLU 211 -2.724 32.048 66.681 1.00 0.00 ATOM 1541 N HIS 212 -2.046 33.156 66.356 1.00 0.00 ATOM 1542 CA HIS 212 -1.700 33.492 64.979 1.00 0.00 ATOM 1543 CB HIS 212 -2.555 34.677 64.489 1.00 0.00 ATOM 1544 CG HIS 212 -3.962 34.283 64.181 1.00 0.00 ATOM 1545 CD2 HIS 212 -5.099 34.383 64.910 1.00 0.00 ATOM 1546 ND1 HIS 212 -4.298 33.605 63.032 1.00 0.00 ATOM 1547 CE1 HIS 212 -5.589 33.322 63.058 1.00 0.00 ATOM 1548 NE2 HIS 212 -6.099 33.787 64.185 1.00 0.00 ATOM 1549 O HIS 212 0.178 34.658 64.050 1.00 0.00 ATOM 1550 C HIS 212 -0.212 33.768 64.807 1.00 0.00 ATOM 1551 N GLY 213 0.619 32.996 65.506 1.00 0.00 ATOM 1552 CA GLY 213 2.064 32.983 65.234 1.00 0.00 ATOM 1553 O GLY 213 4.115 34.129 65.630 1.00 0.00 ATOM 1554 C GLY 213 2.934 33.988 65.966 1.00 0.00 ATOM 1555 N LEU 214 2.357 34.675 66.951 1.00 0.00 ATOM 1556 CA LEU 214 3.082 35.566 67.857 1.00 0.00 ATOM 1557 CB LEU 214 2.434 36.951 67.846 1.00 0.00 ATOM 1558 CG LEU 214 2.744 37.822 66.618 1.00 0.00 ATOM 1559 CD1 LEU 214 1.740 38.923 66.463 1.00 0.00 ATOM 1560 CD2 LEU 214 4.176 38.428 66.718 1.00 0.00 ATOM 1561 O LEU 214 2.122 34.408 69.725 1.00 0.00 ATOM 1562 C LEU 214 3.093 35.027 69.294 1.00 0.00 ATOM 1563 N GLN 215 4.174 35.285 70.047 1.00 0.00 ATOM 1564 CA GLN 215 4.235 34.888 71.458 1.00 0.00 ATOM 1565 CB GLN 215 5.357 33.887 71.701 1.00 0.00 ATOM 1566 CG GLN 215 5.201 32.594 70.922 1.00 0.00 ATOM 1567 CD GLN 215 5.639 32.729 69.478 1.00 0.00 ATOM 1568 OE1 GLN 215 6.727 33.215 69.196 1.00 0.00 ATOM 1569 NE2 GLN 215 4.786 32.273 68.555 1.00 0.00 ATOM 1570 O GLN 215 4.272 35.850 73.651 1.00 0.00 ATOM 1571 C GLN 215 4.340 36.055 72.443 1.00 0.00 ATOM 1572 N GLU 216 4.483 37.280 71.944 1.00 0.00 ATOM 1573 CA GLU 216 4.486 38.445 72.828 1.00 0.00 ATOM 1574 CB GLU 216 5.874 38.654 73.474 1.00 0.00 ATOM 1575 CG GLU 216 6.000 39.911 74.386 1.00 0.00 ATOM 1576 CD GLU 216 7.402 40.069 75.004 1.00 0.00 ATOM 1577 OE1 GLU 216 7.810 39.192 75.763 1.00 0.00 ATOM 1578 OE2 GLU 216 8.085 41.082 74.739 1.00 0.00 ATOM 1579 O GLU 216 4.328 39.883 70.899 1.00 0.00 ATOM 1580 C GLU 216 4.055 39.698 72.083 1.00 0.00 ATOM 1581 N LEU 217 3.389 40.574 72.810 1.00 0.00 ATOM 1582 CA LEU 217 2.909 41.813 72.258 1.00 0.00 ATOM 1583 CB LEU 217 1.384 41.788 72.126 1.00 0.00 ATOM 1584 CG LEU 217 0.818 40.638 71.299 1.00 0.00 ATOM 1585 CD1 LEU 217 -0.673 40.512 71.542 1.00 0.00 ATOM 1586 CD2 LEU 217 1.140 40.790 69.830 1.00 0.00 ATOM 1587 O LEU 217 2.958 42.930 74.371 1.00 0.00 ATOM 1588 C LEU 217 3.321 42.917 73.193 1.00 0.00 ATOM 1589 N SER 218 4.106 43.840 72.662 1.00 0.00 ATOM 1590 CA SER 218 4.652 44.937 73.446 1.00 0.00 ATOM 1591 CB SER 218 6.179 44.899 73.384 1.00 0.00 ATOM 1592 OG SER 218 6.670 43.766 74.074 1.00 0.00 ATOM 1593 O SER 218 4.629 46.721 71.887 1.00 0.00 ATOM 1594 C SER 218 4.133 46.245 72.889 1.00 0.00 ATOM 1595 N GLY 219 3.137 46.815 73.541 1.00 0.00 ATOM 1596 CA GLY 219 2.506 48.027 73.046 1.00 0.00 ATOM 1597 O GLY 219 3.333 49.351 74.867 1.00 0.00 ATOM 1598 C GLY 219 2.435 49.147 74.058 1.00 0.00 ATOM 1599 N PHE 220 1.319 49.850 74.028 1.00 0.00 ATOM 1600 CA PHE 220 1.208 51.147 74.657 1.00 0.00 ATOM 1601 CB PHE 220 1.613 52.215 73.637 1.00 0.00 ATOM 1602 CG PHE 220 1.636 53.603 74.190 1.00 0.00 ATOM 1603 CD1 PHE 220 2.624 53.984 75.072 1.00 0.00 ATOM 1604 CD2 PHE 220 0.669 54.527 73.816 1.00 0.00 ATOM 1605 CE1 PHE 220 2.654 55.254 75.594 1.00 0.00 ATOM 1606 CE2 PHE 220 0.690 55.806 74.321 1.00 0.00 ATOM 1607 CZ PHE 220 1.688 56.177 75.209 1.00 0.00 ATOM 1608 O PHE 220 -1.168 51.093 74.349 1.00 0.00 ATOM 1609 C PHE 220 -0.244 51.348 75.106 1.00 0.00 ATOM 1610 N MET 221 -0.433 51.774 76.348 1.00 0.00 ATOM 1611 CA MET 221 -1.763 52.163 76.842 1.00 0.00 ATOM 1612 CB MET 221 -1.960 51.549 78.233 1.00 0.00 ATOM 1613 CG MET 221 -3.247 51.876 78.955 1.00 0.00 ATOM 1614 SD MET 221 -4.717 51.315 77.896 1.00 0.00 ATOM 1615 CE MET 221 -4.128 49.382 77.653 1.00 0.00 ATOM 1616 O MET 221 -1.030 54.288 77.623 1.00 0.00 ATOM 1617 C MET 221 -1.814 53.684 76.917 1.00 0.00 ATOM 1618 N VAL 222 -2.715 54.316 76.179 1.00 0.00 ATOM 1619 CA VAL 222 -2.939 55.755 76.374 1.00 0.00 ATOM 1620 CB VAL 222 -3.752 56.377 75.204 1.00 0.00 ATOM 1621 CG1 VAL 222 -4.193 57.826 75.563 1.00 0.00 ATOM 1622 CG2 VAL 222 -2.931 56.366 73.943 1.00 0.00 ATOM 1623 O VAL 222 -4.730 55.455 77.958 1.00 0.00 ATOM 1624 C VAL 222 -3.671 56.016 77.711 1.00 0.00 ATOM 1625 N LYS 223 -3.111 56.865 78.562 1.00 0.00 ATOM 1626 CA LYS 223 -3.770 57.242 79.824 1.00 0.00 ATOM 1627 CB LYS 223 -2.805 57.089 81.009 1.00 0.00 ATOM 1628 CG LYS 223 -2.314 55.648 81.244 1.00 0.00 ATOM 1629 CD LYS 223 -1.235 55.571 82.337 1.00 0.00 ATOM 1630 O LYS 223 -5.251 59.020 80.558 1.00 0.00 ATOM 1631 C LYS 223 -4.357 58.672 79.772 1.00 0.00 ATOM 1632 N ASP 224 -3.842 59.489 78.852 1.00 0.00 ATOM 1633 CA ASP 224 -4.313 60.854 78.642 1.00 0.00 ATOM 1634 CB ASP 224 -3.164 61.832 78.906 1.00 0.00 ATOM 1635 CG ASP 224 -3.643 63.223 79.268 1.00 0.00 ATOM 1636 OD1 ASP 224 -4.653 63.708 78.704 1.00 0.00 ATOM 1637 OD2 ASP 224 -2.991 63.839 80.135 1.00 0.00 ATOM 1638 O ASP 224 -4.047 61.242 76.275 1.00 0.00 ATOM 1639 C ASP 224 -4.819 60.950 77.197 1.00 0.00 ATOM 1640 N ASN 225 -6.115 60.667 77.027 1.00 0.00 ATOM 1641 CA ASN 225 -6.793 60.696 75.731 1.00 0.00 ATOM 1642 CB ASN 225 -8.292 60.362 75.892 1.00 0.00 ATOM 1643 CG ASN 225 -8.554 58.884 76.225 1.00 0.00 ATOM 1644 ND2 ASN 225 -9.843 58.522 76.296 1.00 0.00 ATOM 1645 OD1 ASN 225 -7.619 58.078 76.406 1.00 0.00 ATOM 1646 O ASN 225 -6.195 62.126 73.911 1.00 0.00 ATOM 1647 C ASN 225 -6.659 62.048 75.044 1.00 0.00 ATOM 1648 N ALA 226 -7.057 63.107 75.742 1.00 0.00 ATOM 1649 CA ALA 226 -6.965 64.468 75.212 1.00 0.00 ATOM 1650 CB ALA 226 -7.468 65.490 76.256 1.00 0.00 ATOM 1651 O ALA 226 -5.313 65.336 73.683 1.00 0.00 ATOM 1652 C ALA 226 -5.530 64.788 74.766 1.00 0.00 ATOM 1653 N ARG 227 -4.554 64.380 75.571 1.00 0.00 ATOM 1654 CA ARG 227 -3.160 64.687 75.293 1.00 0.00 ATOM 1655 CB ARG 227 -2.287 64.420 76.516 1.00 0.00 ATOM 1656 CG ARG 227 -0.855 64.841 76.301 1.00 0.00 ATOM 1657 CD ARG 227 0.003 64.680 77.528 1.00 0.00 ATOM 1658 NE ARG 227 1.370 65.111 77.240 1.00 0.00 ATOM 1659 CZ ARG 227 2.240 65.526 78.151 1.00 0.00 ATOM 1660 NH1 ARG 227 1.904 65.573 79.433 1.00 0.00 ATOM 1661 NH2 ARG 227 3.453 65.907 77.775 1.00 0.00 ATOM 1662 O ARG 227 -1.910 64.491 73.284 1.00 0.00 ATOM 1663 C ARG 227 -2.615 63.922 74.110 1.00 0.00 ATOM 1664 N ALA 228 -2.921 62.627 74.040 1.00 0.00 ATOM 1665 CA ALA 228 -2.574 61.799 72.885 1.00 0.00 ATOM 1666 CB ALA 228 -3.228 60.426 73.016 1.00 0.00 ATOM 1667 O ALA 228 -2.212 62.427 70.606 1.00 0.00 ATOM 1668 C ALA 228 -2.971 62.451 71.557 1.00 0.00 ATOM 1669 N PHE 229 -4.165 63.023 71.500 1.00 0.00 ATOM 1670 CA PHE 229 -4.628 63.746 70.301 1.00 0.00 ATOM 1671 CB PHE 229 -6.121 64.041 70.378 1.00 0.00 ATOM 1672 CG PHE 229 -6.996 62.917 69.857 1.00 0.00 ATOM 1673 CD1 PHE 229 -7.252 61.786 70.637 1.00 0.00 ATOM 1674 CD2 PHE 229 -7.555 62.991 68.586 1.00 0.00 ATOM 1675 CE1 PHE 229 -8.070 60.755 70.162 1.00 0.00 ATOM 1676 CE2 PHE 229 -8.368 61.980 68.111 1.00 0.00 ATOM 1677 CZ PHE 229 -8.622 60.846 68.902 1.00 0.00 ATOM 1678 O PHE 229 -3.520 65.342 68.900 1.00 0.00 ATOM 1679 C PHE 229 -3.853 65.038 70.042 1.00 0.00 ATOM 1680 N ARG 230 -3.560 65.785 71.100 1.00 0.00 ATOM 1681 CA ARG 230 -2.723 66.976 70.963 1.00 0.00 ATOM 1682 CB ARG 230 -2.489 67.653 72.316 1.00 0.00 ATOM 1683 CG ARG 230 -3.775 68.201 72.938 1.00 0.00 ATOM 1684 CD ARG 230 -3.514 69.226 74.040 1.00 0.00 ATOM 1685 NE ARG 230 -3.089 68.629 75.313 1.00 0.00 ATOM 1686 CZ ARG 230 -3.915 68.186 76.266 1.00 0.00 ATOM 1687 NH1 ARG 230 -5.240 68.253 76.123 1.00 0.00 ATOM 1688 NH2 ARG 230 -3.406 67.665 77.381 1.00 0.00 ATOM 1689 O ARG 230 -1.017 67.222 69.331 1.00 0.00 ATOM 1690 C ARG 230 -1.415 66.604 70.306 1.00 0.00 ATOM 1691 N ILE 231 -0.762 65.566 70.814 1.00 0.00 ATOM 1692 CA ILE 231 0.523 65.138 70.283 1.00 0.00 ATOM 1693 CB ILE 231 1.138 63.979 71.138 1.00 0.00 ATOM 1694 CG1 ILE 231 1.517 64.490 72.541 1.00 0.00 ATOM 1695 CG2 ILE 231 2.346 63.374 70.434 1.00 0.00 ATOM 1696 CD1 ILE 231 1.711 63.405 73.586 1.00 0.00 ATOM 1697 O ILE 231 1.182 65.202 67.974 1.00 0.00 ATOM 1698 C ILE 231 0.418 64.716 68.811 1.00 0.00 ATOM 1699 N VAL 232 -0.518 63.815 68.500 1.00 0.00 ATOM 1700 CA VAL 232 -0.665 63.278 67.129 1.00 0.00 ATOM 1701 CB VAL 232 -1.797 62.190 67.018 1.00 0.00 ATOM 1702 CG1 VAL 232 -1.984 61.729 65.553 1.00 0.00 ATOM 1703 CG2 VAL 232 -1.501 60.985 67.929 1.00 0.00 ATOM 1704 O VAL 232 -0.499 64.352 64.980 1.00 0.00 ATOM 1705 C VAL 232 -0.968 64.389 66.122 1.00 0.00 ATOM 1706 N ALA 233 -1.747 65.374 66.562 1.00 0.00 ATOM 1707 CA ALA 233 -2.111 66.510 65.724 1.00 0.00 ATOM 1708 CB ALA 233 -3.344 67.212 66.298 1.00 0.00 ATOM 1709 O ALA 233 -1.165 68.504 64.822 1.00 0.00 ATOM 1710 C ALA 233 -0.982 67.525 65.542 1.00 0.00 ATOM 1711 N GLY 234 0.146 67.326 66.220 1.00 0.00 ATOM 1712 CA GLY 234 1.297 68.232 66.114 1.00 0.00 ATOM 1713 O GLY 234 2.020 70.400 66.833 1.00 0.00 ATOM 1714 C GLY 234 1.198 69.485 66.974 1.00 0.00 ATOM 1715 N ALA 235 0.200 69.522 67.863 1.00 0.00 ATOM 1716 CA ALA 235 0.006 70.625 68.813 1.00 0.00 ATOM 1717 CB ALA 235 -1.467 70.743 69.193 1.00 0.00 ATOM 1718 O ALA 235 0.886 71.379 70.922 1.00 0.00 ATOM 1719 C ALA 235 0.871 70.485 70.080 1.00 0.00 ATOM 1720 N GLU 236 1.557 69.350 70.225 1.00 0.00 ATOM 1721 CA GLU 236 2.660 69.206 71.186 1.00 0.00 ATOM 1722 CB GLU 236 2.276 68.337 72.387 1.00 0.00 ATOM 1723 CG GLU 236 1.227 68.946 73.311 1.00 0.00 ATOM 1724 CD GLU 236 1.128 68.232 74.658 1.00 0.00 ATOM 1725 OE1 GLU 236 2.154 67.690 75.135 1.00 0.00 ATOM 1726 OE2 GLU 236 0.021 68.237 75.247 1.00 0.00 ATOM 1727 O GLU 236 3.688 67.497 69.851 1.00 0.00 ATOM 1728 C GLU 236 3.835 68.570 70.462 1.00 0.00 ATOM 1729 N LYS 237 4.992 69.228 70.542 1.00 0.00 ATOM 1730 CA LYS 237 6.202 68.796 69.842 1.00 0.00 ATOM 1731 CB LYS 237 7.120 70.006 69.629 1.00 0.00 ATOM 1732 O LYS 237 8.131 67.764 70.906 1.00 0.00 ATOM 1733 C LYS 237 6.926 67.680 70.625 1.00 0.00 ATOM 1734 N VAL 238 6.173 66.620 70.928 1.00 0.00 ATOM 1735 CA VAL 238 6.515 65.647 71.969 1.00 0.00 ATOM 1736 CB VAL 238 5.663 65.915 73.254 1.00 0.00 ATOM 1737 CG1 VAL 238 6.041 64.974 74.375 1.00 0.00 ATOM 1738 CG2 VAL 238 5.832 67.365 73.722 1.00 0.00 ATOM 1739 O VAL 238 5.475 64.043 70.527 1.00 0.00 ATOM 1740 C VAL 238 6.261 64.232 71.446 1.00 0.00 ATOM 1741 N LYS 239 6.948 63.246 72.010 1.00 0.00 ATOM 1742 CA LYS 239 6.752 61.859 71.615 1.00 0.00 ATOM 1743 CB LYS 239 7.936 60.994 72.044 1.00 0.00 ATOM 1744 CG LYS 239 9.281 61.457 71.476 1.00 0.00 ATOM 1745 O LYS 239 5.065 61.792 73.324 1.00 0.00 ATOM 1746 C LYS 239 5.463 61.345 72.242 1.00 0.00 ATOM 1747 N ILE 240 4.815 60.401 71.568 1.00 0.00 ATOM 1748 CA ILE 240 3.509 59.894 72.018 1.00 0.00 ATOM 1749 CB ILE 240 2.937 58.870 71.013 1.00 0.00 ATOM 1750 CG1 ILE 240 1.428 58.631 71.248 1.00 0.00 ATOM 1751 CG2 ILE 240 3.734 57.550 71.069 1.00 0.00 ATOM 1752 CD1 ILE 240 0.550 59.902 71.262 1.00 0.00 ATOM 1753 O ILE 240 2.567 59.248 74.138 1.00 0.00 ATOM 1754 C ILE 240 3.564 59.257 73.411 1.00 0.00 ATOM 1755 N TYR 241 4.738 58.750 73.787 1.00 0.00 ATOM 1756 CA TYR 241 4.904 58.038 75.055 1.00 0.00 ATOM 1757 CB TYR 241 6.320 57.456 75.176 1.00 0.00 ATOM 1758 CG TYR 241 6.602 56.407 74.131 1.00 0.00 ATOM 1759 CD1 TYR 241 6.051 55.127 74.237 1.00 0.00 ATOM 1760 CD2 TYR 241 7.388 56.700 73.015 1.00 0.00 ATOM 1761 CE1 TYR 241 6.292 54.160 73.269 1.00 0.00 ATOM 1762 CE2 TYR 241 7.635 55.736 72.042 1.00 0.00 ATOM 1763 CZ TYR 241 7.086 54.470 72.174 1.00 0.00 ATOM 1764 OH TYR 241 7.337 53.527 71.207 1.00 0.00 ATOM 1765 O TYR 241 4.205 58.314 77.308 1.00 0.00 ATOM 1766 C TYR 241 4.564 58.865 76.280 1.00 0.00 ATOM 1767 N SER 242 4.654 60.187 76.157 1.00 0.00 ATOM 1768 CA SER 242 4.231 61.109 77.218 1.00 0.00 ATOM 1769 CB SER 242 4.448 62.555 76.765 1.00 0.00 ATOM 1770 OG SER 242 5.772 62.726 76.306 1.00 0.00 ATOM 1771 O SER 242 2.392 61.320 78.754 1.00 0.00 ATOM 1772 C SER 242 2.769 60.952 77.631 1.00 0.00 ATOM 1773 N ALA 243 1.949 60.443 76.709 1.00 0.00 ATOM 1774 CA ALA 243 0.503 60.335 76.919 1.00 0.00 ATOM 1775 CB ALA 243 -0.232 60.601 75.605 1.00 0.00 ATOM 1776 O ALA 243 -1.149 58.730 77.605 1.00 0.00 ATOM 1777 C ALA 243 0.060 58.986 77.494 1.00 0.00 ATOM 1778 N GLY 244 1.018 58.129 77.857 1.00 0.00 ATOM 1779 CA GLY 244 0.675 56.854 78.476 1.00 0.00 ATOM 1780 O GLY 244 2.868 56.497 79.319 1.00 0.00 ATOM 1781 C GLY 244 1.833 55.997 78.941 1.00 0.00 ATOM 1782 N GLN 245 1.643 54.689 78.868 1.00 0.00 ATOM 1783 CA GLN 245 2.496 53.715 79.530 1.00 0.00 ATOM 1784 CB GLN 245 1.746 53.242 80.776 1.00 0.00 ATOM 1785 CG GLN 245 2.335 52.086 81.569 1.00 0.00 ATOM 1786 CD GLN 245 1.515 51.793 82.827 1.00 0.00 ATOM 1787 OE1 GLN 245 0.408 52.318 82.999 1.00 0.00 ATOM 1788 NE2 GLN 245 2.058 50.956 83.712 1.00 0.00 ATOM 1789 O GLN 245 1.810 52.130 77.890 1.00 0.00 ATOM 1790 C GLN 245 2.730 52.547 78.579 1.00 0.00 ATOM 1791 N LYS 246 3.950 52.023 78.538 1.00 0.00 ATOM 1792 CA LYS 246 4.235 50.818 77.776 1.00 0.00 ATOM 1793 CB LYS 246 5.745 50.608 77.605 1.00 0.00 ATOM 1794 CG LYS 246 6.485 51.769 76.905 1.00 0.00 ATOM 1795 CD LYS 246 7.965 51.453 76.699 1.00 0.00 ATOM 1796 CE LYS 246 8.593 52.347 75.634 1.00 0.00 ATOM 1797 NZ LYS 246 10.074 52.203 75.520 1.00 0.00 ATOM 1798 O LYS 246 3.649 49.573 79.740 1.00 0.00 ATOM 1799 C LYS 246 3.636 49.617 78.510 1.00 0.00 ATOM 1800 N VAL 247 3.128 48.650 77.751 1.00 0.00 ATOM 1801 CA VAL 247 2.577 47.423 78.310 1.00 0.00 ATOM 1802 CB VAL 247 1.030 47.510 78.470 1.00 0.00 ATOM 1803 CG1 VAL 247 0.609 48.758 79.232 1.00 0.00 ATOM 1804 CG2 VAL 247 0.365 47.519 77.144 1.00 0.00 ATOM 1805 O VAL 247 2.883 46.291 76.188 1.00 0.00 ATOM 1806 C VAL 247 2.927 46.216 77.419 1.00 0.00 ATOM 1807 N THR 248 3.231 45.098 78.053 1.00 0.00 ATOM 1808 CA THR 248 3.632 43.887 77.349 1.00 0.00 ATOM 1809 CB THR 248 5.131 43.590 77.620 1.00 0.00 ATOM 1810 CG2 THR 248 5.541 42.232 77.057 1.00 0.00 ATOM 1811 OG1 THR 248 5.935 44.618 77.025 1.00 0.00 ATOM 1812 O THR 248 2.560 42.528 79.009 1.00 0.00 ATOM 1813 C THR 248 2.760 42.713 77.807 1.00 0.00 ATOM 1814 N ILE 249 2.209 41.946 76.871 1.00 0.00 ATOM 1815 CA ILE 249 1.590 40.671 77.236 1.00 0.00 ATOM 1816 CB ILE 249 0.055 40.622 76.998 1.00 0.00 ATOM 1817 CG1 ILE 249 -0.339 41.202 75.641 1.00 0.00 ATOM 1818 CG2 ILE 249 -0.656 41.397 78.089 1.00 0.00 ATOM 1819 CD1 ILE 249 -1.845 41.152 75.394 1.00 0.00 ATOM 1820 O ILE 249 2.718 39.633 75.390 1.00 0.00 ATOM 1821 C ILE 249 2.299 39.518 76.546 1.00 0.00 ATOM 1822 N LYS 250 2.492 38.440 77.300 1.00 0.00 ATOM 1823 CA LYS 250 3.066 37.217 76.776 1.00 0.00 ATOM 1824 CB LYS 250 4.197 36.726 77.675 1.00 0.00 ATOM 1825 CG LYS 250 5.399 37.661 77.791 1.00 0.00 ATOM 1826 CD LYS 250 6.520 36.954 78.556 1.00 0.00 ATOM 1827 CE LYS 250 7.765 37.816 78.734 1.00 0.00 ATOM 1828 NZ LYS 250 7.528 38.958 79.656 1.00 0.00 ATOM 1829 O LYS 250 1.062 36.032 77.422 1.00 0.00 ATOM 1830 C LYS 250 2.024 36.108 76.648 1.00 0.00 ATOM 1831 N LYS 251 2.241 35.235 75.670 1.00 0.00 ATOM 1832 CA LYS 251 1.407 34.049 75.477 1.00 0.00 ATOM 1833 CB LYS 251 1.795 33.364 74.171 1.00 0.00 ATOM 1834 CG LYS 251 1.124 32.057 73.917 1.00 0.00 ATOM 1835 CD LYS 251 1.527 31.505 72.575 1.00 0.00 ATOM 1836 CE LYS 251 0.860 30.165 72.333 1.00 0.00 ATOM 1837 NZ LYS 251 0.613 29.924 70.885 1.00 0.00 ATOM 1838 O LYS 251 2.678 32.823 77.139 1.00 0.00 ATOM 1839 C LYS 251 1.566 33.086 76.663 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1157020456.pdb -s /var/tmp/to_scwrl_1157020456.seq -o /var/tmp/from_scwrl_1157020456.pdb > /var/tmp/scwrl_1157020456.log sh: /var/tmp/scwrl_1157020456.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1157020456.pdb or /var/tmp/from_scwrl_1157020456.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1157020456_b.pdb or /var/tmp/from_scwrl_1157020456_b.pdb.gz for input Trying /var/tmp/from_scwrl_1157020456_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1157020456_b.pdb or /var/tmp/from_scwrl_1157020456_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1157020456_a.pdb or /var/tmp/from_scwrl_1157020456_a.pdb.gz for input Trying /var/tmp/from_scwrl_1157020456_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1157020456_a.pdb or /var/tmp/from_scwrl_1157020456_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1157020456.pdb or /var/tmp/from_scwrl_1157020456_b.pdb or /var/tmp/from_scwrl_1157020456_a.pdb Error: no new SCWRL conformation added # command:# naming current conformation model1-scwrl # command:# ReadConformPDB reading from PDB file model2.ts-submitted looking for model 1 # Found a chain break before 244 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -21.721 # GDT_score(maxd=8.000,maxw=2.900)= -21.596 # GDT_score(maxd=8.000,maxw=3.200)= -20.256 # GDT_score(maxd=8.000,maxw=3.500)= -19.034 # GDT_score(maxd=10.000,maxw=3.800)= -20.939 # GDT_score(maxd=10.000,maxw=4.000)= -20.144 # GDT_score(maxd=10.000,maxw=4.200)= -19.419 # GDT_score(maxd=12.000,maxw=4.300)= -21.421 # GDT_score(maxd=12.000,maxw=4.500)= -20.688 # GDT_score(maxd=12.000,maxw=4.700)= -20.017 # GDT_score(maxd=14.000,maxw=5.200)= -20.329 # GDT_score(maxd=14.000,maxw=5.500)= -19.450 # command:# request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1139349641.pdb -s /var/tmp/to_scwrl_1139349641.seq -o /var/tmp/from_scwrl_1139349641.pdb > /var/tmp/scwrl_1139349641.log sh: /var/tmp/scwrl_1139349641.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1139349641.pdb or /var/tmp/from_scwrl_1139349641.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1139349641_b.pdb or /var/tmp/from_scwrl_1139349641_b.pdb.gz for input Trying /var/tmp/from_scwrl_1139349641_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1139349641_b.pdb or /var/tmp/from_scwrl_1139349641_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1139349641_a.pdb or /var/tmp/from_scwrl_1139349641_a.pdb.gz for input Trying /var/tmp/from_scwrl_1139349641_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1139349641_a.pdb or /var/tmp/from_scwrl_1139349641_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1139349641.pdb or /var/tmp/from_scwrl_1139349641_b.pdb or /var/tmp/from_scwrl_1139349641_a.pdb Error: no new SCWRL conformation added # command:# naming current conformation model2-scwrl # command:# ReadConformPDB reading from PDB file model3.ts-submitted looking for model 1 # Found a chain break before 244 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -22.029 # GDT_score(maxd=8.000,maxw=2.900)= -21.683 # GDT_score(maxd=8.000,maxw=3.200)= -20.375 # GDT_score(maxd=8.000,maxw=3.500)= -19.202 # GDT_score(maxd=10.000,maxw=3.800)= -21.089 # GDT_score(maxd=10.000,maxw=4.000)= -20.340 # GDT_score(maxd=10.000,maxw=4.200)= -19.615 # GDT_score(maxd=12.000,maxw=4.300)= -21.602 # GDT_score(maxd=12.000,maxw=4.500)= -20.866 # GDT_score(maxd=12.000,maxw=4.700)= -20.187 # GDT_score(maxd=14.000,maxw=5.200)= -20.478 # GDT_score(maxd=14.000,maxw=5.500)= -19.591 # command:# request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_721566081.pdb -s /var/tmp/to_scwrl_721566081.seq -o /var/tmp/from_scwrl_721566081.pdb > /var/tmp/scwrl_721566081.log sh: /var/tmp/scwrl_721566081.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_721566081.pdb or /var/tmp/from_scwrl_721566081.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_721566081_b.pdb or /var/tmp/from_scwrl_721566081_b.pdb.gz for input Trying /var/tmp/from_scwrl_721566081_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_721566081_b.pdb or /var/tmp/from_scwrl_721566081_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_721566081_a.pdb or /var/tmp/from_scwrl_721566081_a.pdb.gz for input Trying /var/tmp/from_scwrl_721566081_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_721566081_a.pdb or /var/tmp/from_scwrl_721566081_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_721566081.pdb or /var/tmp/from_scwrl_721566081_b.pdb or /var/tmp/from_scwrl_721566081_a.pdb Error: no new SCWRL conformation added # command:# naming current conformation model3-scwrl # command:# ReadConformPDB reading from PDB file model4.ts-submitted looking for model 1 # Found a chain break before 249 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -21.619 # GDT_score(maxd=8.000,maxw=2.900)= -21.704 # GDT_score(maxd=8.000,maxw=3.200)= -20.405 # GDT_score(maxd=8.000,maxw=3.500)= -19.271 # GDT_score(maxd=10.000,maxw=3.800)= -21.124 # GDT_score(maxd=10.000,maxw=4.000)= -20.377 # GDT_score(maxd=10.000,maxw=4.200)= -19.667 # GDT_score(maxd=12.000,maxw=4.300)= -21.660 # GDT_score(maxd=12.000,maxw=4.500)= -20.934 # GDT_score(maxd=12.000,maxw=4.700)= -20.223 # GDT_score(maxd=14.000,maxw=5.200)= -20.467 # GDT_score(maxd=14.000,maxw=5.500)= -19.552 # command:# request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_877661667.pdb -s /var/tmp/to_scwrl_877661667.seq -o /var/tmp/from_scwrl_877661667.pdb > /var/tmp/scwrl_877661667.log sh: /var/tmp/scwrl_877661667.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_877661667.pdb or /var/tmp/from_scwrl_877661667.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_877661667_b.pdb or /var/tmp/from_scwrl_877661667_b.pdb.gz for input Trying /var/tmp/from_scwrl_877661667_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_877661667_b.pdb or /var/tmp/from_scwrl_877661667_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_877661667_a.pdb or /var/tmp/from_scwrl_877661667_a.pdb.gz for input Trying /var/tmp/from_scwrl_877661667_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_877661667_a.pdb or /var/tmp/from_scwrl_877661667_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_877661667.pdb or /var/tmp/from_scwrl_877661667_b.pdb or /var/tmp/from_scwrl_877661667_a.pdb Error: no new SCWRL conformation added # command:# naming current conformation model4-scwrl # command:# ReadConformPDB reading from PDB file model5.ts-submitted looking for model 1 # Found a chain break before 248 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -22.439 # GDT_score(maxd=8.000,maxw=2.900)= -22.086 # GDT_score(maxd=8.000,maxw=3.200)= -20.789 # GDT_score(maxd=8.000,maxw=3.500)= -19.616 # GDT_score(maxd=10.000,maxw=3.800)= -21.482 # GDT_score(maxd=10.000,maxw=4.000)= -20.715 # GDT_score(maxd=10.000,maxw=4.200)= -19.973 # GDT_score(maxd=12.000,maxw=4.300)= -21.981 # GDT_score(maxd=12.000,maxw=4.500)= -21.221 # GDT_score(maxd=12.000,maxw=4.700)= -20.499 # GDT_score(maxd=14.000,maxw=5.200)= -20.705 # GDT_score(maxd=14.000,maxw=5.500)= -19.777 # command:# request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_557389403.pdb -s /var/tmp/to_scwrl_557389403.seq -o /var/tmp/from_scwrl_557389403.pdb > /var/tmp/scwrl_557389403.log sh: /var/tmp/scwrl_557389403.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_557389403.pdb or /var/tmp/from_scwrl_557389403.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_557389403_b.pdb or /var/tmp/from_scwrl_557389403_b.pdb.gz for input Trying /var/tmp/from_scwrl_557389403_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_557389403_b.pdb or /var/tmp/from_scwrl_557389403_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_557389403_a.pdb or /var/tmp/from_scwrl_557389403_a.pdb.gz for input Trying /var/tmp/from_scwrl_557389403_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_557389403_a.pdb or /var/tmp/from_scwrl_557389403_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_557389403.pdb or /var/tmp/from_scwrl_557389403_b.pdb or /var/tmp/from_scwrl_557389403_a.pdb Error: no new SCWRL conformation added # command:# naming current conformation model5-scwrl # command:# Prefix for input files set to decoys/ # command:# ReadConformPDB reading from PDB file T0321.try1-opt2.pdb looking for model 1 # Found a chain break before 249 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -23.770 # GDT_score(maxd=8.000,maxw=2.900)= -23.935 # GDT_score(maxd=8.000,maxw=3.200)= -22.489 # GDT_score(maxd=8.000,maxw=3.500)= -21.170 # GDT_score(maxd=10.000,maxw=3.800)= -22.994 # GDT_score(maxd=10.000,maxw=4.000)= -22.172 # GDT_score(maxd=10.000,maxw=4.200)= -21.396 # GDT_score(maxd=12.000,maxw=4.300)= -23.335 # GDT_score(maxd=12.000,maxw=4.500)= -22.548 # GDT_score(maxd=12.000,maxw=4.700)= -21.794 # GDT_score(maxd=14.000,maxw=5.200)= -21.862 # GDT_score(maxd=14.000,maxw=5.500)= -20.871 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0321.try1-real.pdb for output Error: Couldn't open file T0321.try1-real.pdb for output superimposing iter= 0 total_weight= 2815.000 rmsd (weighted)= 21.380 (unweighted)= 30.623 superimposing iter= 1 total_weight= 4102.507 rmsd (weighted)= 13.996 (unweighted)= 30.222 superimposing iter= 2 total_weight= 2281.111 rmsd (weighted)= 12.421 (unweighted)= 29.819 superimposing iter= 3 total_weight= 2007.295 rmsd (weighted)= 11.772 (unweighted)= 29.491 superimposing iter= 4 total_weight= 1937.147 rmsd (weighted)= 11.370 (unweighted)= 29.256 superimposing iter= 5 total_weight= 1921.177 rmsd (weighted)= 11.023 (unweighted)= 29.097 EXPDTA T0321.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0321.try1-opt2.pdb ATOM 1 N MET A 1 19.837 54.158 49.592 1.00 0.00 ATOM 2 CA MET A 1 20.504 55.481 49.398 1.00 0.00 ATOM 3 CB MET A 1 19.977 56.167 48.135 1.00 0.00 ATOM 4 CG MET A 1 20.704 57.453 47.778 1.00 0.00 ATOM 5 SD MET A 1 20.081 58.207 46.264 1.00 0.00 ATOM 6 CE MET A 1 20.793 57.124 45.028 1.00 0.00 ATOM 7 O MET A 1 19.093 56.508 51.027 1.00 0.00 ATOM 8 C MET A 1 20.233 56.388 50.592 1.00 0.00 ATOM 9 N TRP A 2 21.255 57.035 51.138 1.00 0.00 ATOM 10 CA TRP A 2 21.107 57.950 52.207 1.00 0.00 ATOM 11 CB TRP A 2 22.473 58.476 52.655 1.00 0.00 ATOM 12 CG TRP A 2 23.302 57.454 53.370 1.00 0.00 ATOM 13 CD1 TRP A 2 24.434 56.846 52.908 1.00 0.00 ATOM 14 CD2 TRP A 2 23.066 56.920 54.680 1.00 0.00 ATOM 15 CE2 TRP A 2 24.094 55.993 54.943 1.00 0.00 ATOM 16 CE3 TRP A 2 22.085 57.134 55.653 1.00 0.00 ATOM 17 NE1 TRP A 2 24.917 55.968 53.846 1.00 0.00 ATOM 18 CZ2 TRP A 2 24.171 55.284 56.141 1.00 0.00 ATOM 19 CZ3 TRP A 2 22.165 56.427 56.839 1.00 0.00 ATOM 20 CH2 TRP A 2 23.197 55.513 57.075 1.00 0.00 ATOM 21 O TRP A 2 19.389 59.562 52.669 1.00 0.00 ATOM 22 C TRP A 2 20.225 59.146 51.863 1.00 0.00 ATOM 23 N GLU A 3 20.428 59.719 50.696 1.00 0.00 ATOM 24 CA GLU A 3 19.638 60.870 50.285 1.00 0.00 ATOM 25 CB GLU A 3 20.059 61.377 48.922 1.00 0.00 ATOM 26 CG GLU A 3 21.497 61.968 48.888 1.00 0.00 ATOM 27 CD GLU A 3 21.708 63.146 49.856 1.00 0.00 ATOM 28 OE1 GLU A 3 20.727 63.815 50.248 1.00 0.00 ATOM 29 OE2 GLU A 3 22.872 63.418 50.221 1.00 0.00 ATOM 30 O GLU A 3 17.382 61.503 50.721 1.00 0.00 ATOM 31 C GLU A 3 18.141 60.629 50.283 1.00 0.00 ATOM 32 N ILE A 4 17.716 59.463 49.793 1.00 0.00 ATOM 33 CA ILE A 4 16.272 59.170 49.760 1.00 0.00 ATOM 34 CB ILE A 4 15.973 57.885 48.966 1.00 0.00 ATOM 35 CG1 ILE A 4 16.232 58.119 47.466 1.00 0.00 ATOM 36 CG2 ILE A 4 14.452 57.530 49.080 1.00 0.00 ATOM 37 CD1 ILE A 4 16.269 56.853 46.598 1.00 0.00 ATOM 38 O ILE A 4 14.671 59.585 51.514 1.00 0.00 ATOM 39 C ILE A 4 15.744 59.060 51.198 1.00 0.00 ATOM 40 N TYR A 5 16.497 58.402 52.077 1.00 0.00 ATOM 41 CA TYR A 5 16.054 58.298 53.467 1.00 0.00 ATOM 42 CB TYR A 5 17.063 57.525 54.349 1.00 0.00 ATOM 43 CG TYR A 5 17.297 56.101 53.923 1.00 0.00 ATOM 44 CD1 TYR A 5 16.316 55.399 53.231 1.00 0.00 ATOM 45 CD2 TYR A 5 18.500 55.445 54.217 1.00 0.00 ATOM 46 CE1 TYR A 5 16.520 54.088 52.835 1.00 0.00 ATOM 47 CE2 TYR A 5 18.698 54.113 53.820 1.00 0.00 ATOM 48 CZ TYR A 5 17.700 53.453 53.129 1.00 0.00 ATOM 49 OH TYR A 5 17.846 52.146 52.682 1.00 0.00 ATOM 50 O TYR A 5 14.959 59.949 54.781 1.00 0.00 ATOM 51 C TYR A 5 15.904 59.687 54.052 1.00 0.00 ATOM 52 N ASP A 6 16.839 60.582 53.735 1.00 0.00 ATOM 53 CA ASP A 6 16.750 61.932 54.296 1.00 0.00 ATOM 54 CB ASP A 6 18.042 62.740 54.072 1.00 0.00 ATOM 55 CG ASP A 6 19.179 62.303 54.979 1.00 0.00 ATOM 56 OD1 ASP A 6 18.953 61.521 55.958 1.00 0.00 ATOM 57 OD2 ASP A 6 20.329 62.755 54.715 1.00 0.00 ATOM 58 O ASP A 6 14.970 63.514 54.377 1.00 0.00 ATOM 59 C ASP A 6 15.569 62.688 53.695 1.00 0.00 ATOM 60 N ALA A 7 15.245 62.406 52.461 1.00 0.00 ATOM 61 CA ALA A 7 14.100 63.023 51.800 1.00 0.00 ATOM 62 CB ALA A 7 13.985 62.528 50.367 1.00 0.00 ATOM 63 O ALA A 7 11.999 63.550 52.882 1.00 0.00 ATOM 64 C ALA A 7 12.804 62.675 52.540 1.00 0.00 ATOM 65 N MET A 8 12.624 61.386 52.793 1.00 0.00 ATOM 66 CA MET A 8 11.421 60.907 53.473 1.00 0.00 ATOM 67 CB MET A 8 11.346 59.373 53.443 1.00 0.00 ATOM 68 CG MET A 8 10.952 58.782 52.100 1.00 0.00 ATOM 69 SD MET A 8 10.591 57.006 52.228 1.00 0.00 ATOM 70 CE MET A 8 12.195 56.339 52.053 1.00 0.00 ATOM 71 O MET A 8 10.278 61.695 55.429 1.00 0.00 ATOM 72 C MET A 8 11.350 61.368 54.924 1.00 0.00 ATOM 73 N ILE A 9 12.496 61.373 55.594 1.00 0.00 ATOM 74 CA ILE A 9 12.559 61.799 56.989 1.00 0.00 ATOM 75 CB ILE A 9 13.972 61.533 57.576 1.00 0.00 ATOM 76 CG1 ILE A 9 14.199 60.019 57.668 1.00 0.00 ATOM 77 CG2 ILE A 9 14.110 62.164 58.960 1.00 0.00 ATOM 78 CD1 ILE A 9 15.624 59.612 58.028 1.00 0.00 ATOM 79 O ILE A 9 11.459 63.690 57.974 1.00 0.00 ATOM 80 C ILE A 9 12.202 63.280 57.084 1.00 0.00 ATOM 81 N ASN A 10 12.712 64.075 56.148 1.00 0.00 ATOM 82 CA ASN A 10 12.426 65.504 56.137 1.00 0.00 ATOM 83 CB ASN A 10 13.240 66.205 55.042 1.00 0.00 ATOM 84 CG ASN A 10 13.075 67.718 55.069 1.00 0.00 ATOM 85 ND2 ASN A 10 12.650 68.289 53.955 1.00 0.00 ATOM 86 OD1 ASN A 10 13.329 68.360 56.082 1.00 0.00 ATOM 87 O ASN A 10 10.315 66.567 56.531 1.00 0.00 ATOM 88 C ASN A 10 10.936 65.715 55.901 1.00 0.00 ATOM 89 N GLY A 11 10.353 64.944 54.993 1.00 0.00 ATOM 90 CA GLY A 11 8.925 65.065 54.694 1.00 0.00 ATOM 91 O GLY A 11 6.982 65.046 56.122 1.00 0.00 ATOM 92 C GLY A 11 8.101 64.580 55.893 1.00 0.00 ATOM 93 N ILE A 12 8.696 63.505 56.872 1.00 0.00 ATOM 94 CA ILE A 12 7.956 62.962 58.008 1.00 0.00 ATOM 95 CB ILE A 12 8.551 61.622 58.479 1.00 0.00 ATOM 96 CG1 ILE A 12 8.339 60.541 57.417 1.00 0.00 ATOM 97 CG2 ILE A 12 7.885 61.167 59.769 1.00 0.00 ATOM 98 CD1 ILE A 12 9.116 59.269 57.677 1.00 0.00 ATOM 99 O ILE A 12 6.972 64.265 59.776 1.00 0.00 ATOM 100 C ILE A 12 8.003 63.943 59.184 1.00 0.00 ATOM 101 N PRO A 13 9.180 64.495 59.455 1.00 0.00 ATOM 102 CA PRO A 13 9.348 65.426 60.556 1.00 0.00 ATOM 103 CB PRO A 13 10.793 65.897 60.405 1.00 0.00 ATOM 104 CG PRO A 13 11.505 64.777 59.741 1.00 0.00 ATOM 105 CD PRO A 13 10.490 64.143 58.800 1.00 0.00 ATOM 106 O PRO A 13 7.914 67.007 61.620 1.00 0.00 ATOM 107 C PRO A 13 8.333 66.568 60.558 1.00 0.00 ATOM 108 N GLU A 14 7.891 67.001 59.382 1.00 0.00 ATOM 109 CA GLU A 14 6.701 67.838 59.269 1.00 0.00 ATOM 110 CB GLU A 14 6.661 68.532 57.907 1.00 0.00 ATOM 111 CG GLU A 14 7.774 69.545 57.692 1.00 0.00 ATOM 112 CD GLU A 14 7.715 70.194 56.324 1.00 0.00 ATOM 113 OE1 GLU A 14 6.773 69.889 55.561 1.00 0.00 ATOM 114 OE2 GLU A 14 8.608 71.009 56.014 1.00 0.00 ATOM 115 O GLU A 14 4.354 67.750 59.666 1.00 0.00 ATOM 116 C GLU A 14 5.381 67.113 59.403 1.00 0.00 ATOM 117 N ASP A 15 5.545 65.740 58.743 1.00 0.00 ATOM 118 CA ASP A 15 4.371 64.894 58.777 1.00 0.00 ATOM 119 CB ASP A 15 3.225 65.597 59.509 1.00 0.00 ATOM 120 CG ASP A 15 3.454 65.678 61.005 1.00 0.00 ATOM 121 OD1 ASP A 15 4.360 64.984 61.507 1.00 0.00 ATOM 122 OD2 ASP A 15 2.723 66.438 61.676 1.00 0.00 ATOM 123 O ASP A 15 3.021 63.674 57.231 1.00 0.00 ATOM 124 C ASP A 15 3.872 64.551 57.379 1.00 0.00 ATOM 125 N PHE A 16 4.415 65.192 56.349 1.00 0.00 ATOM 126 CA PHE A 16 3.988 64.921 54.989 1.00 0.00 ATOM 127 CB PHE A 16 4.774 65.782 53.998 1.00 0.00 ATOM 128 CG PHE A 16 4.424 65.525 52.560 1.00 0.00 ATOM 129 CD1 PHE A 16 3.282 66.072 52.002 1.00 0.00 ATOM 130 CD2 PHE A 16 5.237 64.737 51.765 1.00 0.00 ATOM 131 CE1 PHE A 16 2.961 65.836 50.678 1.00 0.00 ATOM 132 CE2 PHE A 16 4.916 64.501 50.442 1.00 0.00 ATOM 133 CZ PHE A 16 3.784 65.046 49.899 1.00 0.00 ATOM 134 O PHE A 16 3.271 62.806 54.114 1.00 0.00 ATOM 135 C PHE A 16 4.199 63.463 54.577 1.00 0.00 ATOM 136 N LEU A 17 5.395 62.943 54.819 1.00 0.00 ATOM 137 CA LEU A 17 5.739 61.587 54.419 1.00 0.00 ATOM 138 CB LEU A 17 7.234 61.333 54.614 1.00 0.00 ATOM 139 CG LEU A 17 7.747 59.951 54.206 1.00 0.00 ATOM 140 CD1 LEU A 17 7.503 59.703 52.726 1.00 0.00 ATOM 141 CD2 LEU A 17 9.241 59.833 54.467 1.00 0.00 ATOM 142 O LEU A 17 4.546 59.531 54.658 1.00 0.00 ATOM 143 C LEU A 17 4.998 60.525 55.214 1.00 0.00 ATOM 144 N VAL A 18 4.820 60.772 56.501 1.00 0.00 ATOM 145 CA VAL A 18 4.135 59.818 57.357 1.00 0.00 ATOM 146 CB VAL A 18 4.081 60.307 58.816 1.00 0.00 ATOM 147 CG1 VAL A 18 3.192 59.397 59.650 1.00 0.00 ATOM 148 CG2 VAL A 18 5.473 60.310 59.428 1.00 0.00 ATOM 149 O VAL A 18 2.229 58.510 56.671 1.00 0.00 ATOM 150 C VAL A 18 2.704 59.639 56.842 1.00 0.00 ATOM 151 N ASP A 19 1.849 60.788 56.676 1.00 0.00 ATOM 152 CA ASP A 19 0.491 60.687 56.140 1.00 0.00 ATOM 153 CB ASP A 19 -0.123 62.077 55.969 1.00 0.00 ATOM 154 CG ASP A 19 -0.492 62.718 57.293 1.00 0.00 ATOM 155 OD1 ASP A 19 -0.497 62.004 58.318 1.00 0.00 ATOM 156 OD2 ASP A 19 -0.777 63.934 57.306 1.00 0.00 ATOM 157 O ASP A 19 -0.413 59.193 54.502 1.00 0.00 ATOM 158 C ASP A 19 0.474 60.004 54.764 1.00 0.00 ATOM 159 N GLU A 20 1.478 60.267 53.918 1.00 0.00 ATOM 160 CA GLU A 20 1.545 59.619 52.606 1.00 0.00 ATOM 161 CB GLU A 20 2.742 60.144 51.810 1.00 0.00 ATOM 162 CG GLU A 20 2.861 59.562 50.411 1.00 0.00 ATOM 163 CD GLU A 20 4.023 60.148 49.632 1.00 0.00 ATOM 164 OE1 GLU A 20 4.723 61.024 50.182 1.00 0.00 ATOM 165 OE2 GLU A 20 4.232 59.731 48.475 1.00 0.00 ATOM 166 O GLU A 20 1.132 57.336 51.979 1.00 0.00 ATOM 167 C GLU A 20 1.703 58.095 52.750 1.00 0.00 ATOM 168 N LEU A 21 2.493 57.658 53.730 1.00 0.00 ATOM 169 CA LEU A 21 2.723 56.234 53.975 1.00 0.00 ATOM 170 CB LEU A 21 3.790 56.041 55.055 1.00 0.00 ATOM 171 CG LEU A 21 5.218 56.439 54.675 1.00 0.00 ATOM 172 CD1 LEU A 21 6.136 56.367 55.887 1.00 0.00 ATOM 173 CD2 LEU A 21 5.768 55.507 53.606 1.00 0.00 ATOM 174 O LEU A 21 1.054 54.509 53.964 1.00 0.00 ATOM 175 C LEU A 21 1.424 55.581 54.440 1.00 0.00 ATOM 176 N VAL A 22 0.691 56.259 55.349 1.00 0.00 ATOM 177 CA VAL A 22 -0.568 55.727 55.859 1.00 0.00 ATOM 178 CB VAL A 22 -1.210 56.680 56.885 1.00 0.00 ATOM 179 CG1 VAL A 22 -2.608 56.206 57.252 1.00 0.00 ATOM 180 CG2 VAL A 22 -0.373 56.738 58.154 1.00 0.00 ATOM 181 O VAL A 22 -2.083 54.456 54.529 1.00 0.00 ATOM 182 C VAL A 22 -1.522 55.525 54.691 1.00 0.00 ATOM 183 N CYS A 23 -1.598 56.548 53.744 1.00 0.00 ATOM 184 CA CYS A 23 -2.496 56.470 52.576 1.00 0.00 ATOM 185 CB CYS A 23 -2.539 57.808 51.833 1.00 0.00 ATOM 186 SG CYS A 23 -3.355 59.141 52.742 1.00 0.00 ATOM 187 O CYS A 23 -2.882 54.706 50.984 1.00 0.00 ATOM 188 C CYS A 23 -2.053 55.407 51.563 1.00 0.00 ATOM 189 N GLY A 24 -0.745 55.229 51.403 1.00 0.00 ATOM 190 CA GLY A 24 -0.218 54.222 50.475 1.00 0.00 ATOM 191 O GLY A 24 -0.992 51.989 50.075 1.00 0.00 ATOM 192 C GLY A 24 -0.641 52.823 50.910 1.00 0.00 ATOM 193 N THR A 25 -0.563 52.651 52.309 1.00 0.00 ATOM 194 CA THR A 25 -0.922 51.359 52.895 1.00 0.00 ATOM 195 CB THR A 25 -0.206 51.131 54.240 1.00 0.00 ATOM 196 CG2 THR A 25 1.303 51.154 54.050 1.00 0.00 ATOM 197 OG1 THR A 25 -0.574 52.166 55.161 1.00 0.00 ATOM 198 O THR A 25 -3.046 50.261 52.777 1.00 0.00 ATOM 199 C THR A 25 -2.415 51.249 53.159 1.00 0.00 ATOM 200 N THR A 26 -2.970 52.279 53.792 1.00 0.00 ATOM 201 CA THR A 26 -4.372 52.305 54.189 1.00 0.00 ATOM 202 CB THR A 26 -4.535 51.952 55.705 1.00 0.00 ATOM 203 CG2 THR A 26 -3.851 53.015 56.560 1.00 0.00 ATOM 204 OG1 THR A 26 -5.928 51.902 56.042 1.00 0.00 ATOM 205 O THR A 26 -4.329 54.725 54.042 1.00 0.00 ATOM 206 C THR A 26 -4.971 53.668 53.917 1.00 0.00 ATOM 207 N HIS A 27 -6.243 53.626 53.542 1.00 0.00 ATOM 208 CA HIS A 27 -7.119 54.790 53.348 1.00 0.00 ATOM 209 CB HIS A 27 -7.822 54.771 51.989 1.00 0.00 ATOM 210 CG HIS A 27 -8.543 56.042 51.665 1.00 0.00 ATOM 211 CD2 HIS A 27 -8.223 57.260 50.933 1.00 0.00 ATOM 212 ND1 HIS A 27 -9.834 56.293 52.077 1.00 0.00 ATOM 213 CE1 HIS A 27 -10.207 57.508 51.636 1.00 0.00 ATOM 214 NE2 HIS A 27 -9.245 58.093 50.948 1.00 0.00 ATOM 215 O HIS A 27 -8.896 53.857 54.674 1.00 0.00 ATOM 216 C HIS A 27 -8.161 54.825 54.467 1.00 0.00 ATOM 217 N SER A 28 -8.193 55.933 55.201 1.00 0.00 ATOM 218 CA SER A 28 -9.091 56.088 56.337 1.00 0.00 ATOM 219 CB SER A 28 -8.407 56.872 57.459 1.00 0.00 ATOM 220 OG SER A 28 -9.297 57.101 58.537 1.00 0.00 ATOM 221 O SER A 28 -10.211 57.933 55.316 1.00 0.00 ATOM 222 C SER A 28 -10.321 56.839 55.856 1.00 0.00 ATOM 223 N VAL A 29 -11.487 56.229 56.032 1.00 0.00 ATOM 224 CA VAL A 29 -12.740 56.813 55.577 1.00 0.00 ATOM 225 CB VAL A 29 -13.426 55.936 54.512 1.00 0.00 ATOM 226 CG1 VAL A 29 -14.656 56.637 53.956 1.00 0.00 ATOM 227 CG2 VAL A 29 -12.473 55.653 53.361 1.00 0.00 ATOM 228 O VAL A 29 -14.559 56.107 56.998 1.00 0.00 ATOM 229 C VAL A 29 -13.677 56.951 56.784 1.00 0.00 ATOM 230 N ILE A 30 -13.463 58.000 57.602 1.00 0.00 ATOM 231 CA ILE A 30 -14.147 58.129 58.890 1.00 0.00 ATOM 232 CB ILE A 30 -13.320 58.962 59.887 1.00 0.00 ATOM 233 CG1 ILE A 30 -13.108 60.379 59.351 1.00 0.00 ATOM 234 CG2 ILE A 30 -11.959 58.323 60.114 1.00 0.00 ATOM 235 CD1 ILE A 30 -12.511 61.331 60.363 1.00 0.00 ATOM 236 O ILE A 30 -15.890 59.573 59.682 1.00 0.00 ATOM 237 C ILE A 30 -15.511 58.812 58.785 1.00 0.00 ATOM 238 N ARG A 31 -16.237 58.525 57.707 1.00 0.00 ATOM 239 CA ARG A 31 -17.501 59.198 57.407 1.00 0.00 ATOM 240 CB ARG A 31 -18.098 58.660 56.105 1.00 0.00 ATOM 241 CG ARG A 31 -17.200 58.837 54.892 1.00 0.00 ATOM 242 CD ARG A 31 -17.105 60.299 54.484 1.00 0.00 ATOM 243 NE ARG A 31 -16.282 60.482 53.291 1.00 0.00 ATOM 244 CZ ARG A 31 -16.046 61.659 52.718 1.00 0.00 ATOM 245 NH1 ARG A 31 -15.286 61.728 51.634 1.00 0.00 ATOM 246 NH2 ARG A 31 -16.571 62.762 53.233 1.00 0.00 ATOM 247 O ARG A 31 -18.966 57.831 58.675 1.00 0.00 ATOM 248 C ARG A 31 -18.682 58.971 58.307 1.00 0.00 ATOM 249 N SER A 32 -19.373 60.023 58.678 1.00 0.00 ATOM 250 CA SER A 32 -20.634 59.938 59.412 1.00 0.00 ATOM 251 CB SER A 32 -21.332 61.423 59.537 1.00 0.00 ATOM 252 OG SER A 32 -22.226 61.510 60.635 1.00 0.00 ATOM 253 O SER A 32 -22.682 58.874 58.717 1.00 0.00 ATOM 254 C SER A 32 -21.741 59.619 58.407 1.00 0.00 ATOM 255 N GLY A 33 -21.620 60.212 57.216 1.00 0.00 ATOM 256 CA GLY A 33 -22.600 60.096 56.140 1.00 0.00 ATOM 257 O GLY A 33 -21.012 60.345 54.343 1.00 0.00 ATOM 258 C GLY A 33 -21.900 59.651 54.854 1.00 0.00 ATOM 259 N ASN A 34 -22.265 58.404 54.353 1.00 0.00 ATOM 260 CA ASN A 34 -21.630 57.856 53.157 1.00 0.00 ATOM 261 CB ASN A 34 -20.364 57.081 53.529 1.00 0.00 ATOM 262 CG ASN A 34 -19.489 56.783 52.328 1.00 0.00 ATOM 263 ND2 ASN A 34 -18.242 56.405 52.585 1.00 0.00 ATOM 264 OD1 ASN A 34 -19.931 56.890 51.184 1.00 0.00 ATOM 265 O ASN A 34 -22.479 55.682 52.585 1.00 0.00 ATOM 266 C ASN A 34 -22.582 56.907 52.436 1.00 0.00 ATOM 267 N GLY A 35 -23.526 57.469 51.657 1.00 0.00 ATOM 268 CA GLY A 35 -24.537 56.625 51.026 1.00 0.00 ATOM 269 O GLY A 35 -24.471 54.531 49.872 1.00 0.00 ATOM 270 C GLY A 35 -23.980 55.659 49.980 1.00 0.00 ATOM 271 N VAL A 36 -22.944 56.159 49.173 1.00 0.00 ATOM 272 CA VAL A 36 -22.436 55.326 48.079 1.00 0.00 ATOM 273 CB VAL A 36 -22.163 56.161 46.814 1.00 0.00 ATOM 274 CG1 VAL A 36 -21.527 55.299 45.734 1.00 0.00 ATOM 275 CG2 VAL A 36 -23.459 56.739 46.267 1.00 0.00 ATOM 276 O VAL A 36 -20.982 53.426 48.044 1.00 0.00 ATOM 277 C VAL A 36 -21.129 54.601 48.383 1.00 0.00 ATOM 278 N GLY A 37 -20.181 55.303 49.000 1.00 0.00 ATOM 279 CA GLY A 37 -18.883 54.718 49.352 1.00 0.00 ATOM 280 O GLY A 37 -17.116 53.549 48.356 1.00 0.00 ATOM 281 C GLY A 37 -18.026 54.358 48.179 1.00 0.00 ATOM 282 N LEU A 38 -18.330 54.962 46.962 1.00 0.00 ATOM 283 CA LEU A 38 -17.527 54.639 45.783 1.00 0.00 ATOM 284 CB LEU A 38 -17.987 55.557 44.650 1.00 0.00 ATOM 285 CG LEU A 38 -17.355 55.313 43.279 1.00 0.00 ATOM 286 CD1 LEU A 38 -17.659 53.907 42.789 1.00 0.00 ATOM 287 CD2 LEU A 38 -17.891 56.301 42.255 1.00 0.00 ATOM 288 O LEU A 38 -15.203 54.102 45.499 1.00 0.00 ATOM 289 C LEU A 38 -16.035 54.825 46.041 1.00 0.00 ATOM 290 N GLY A 39 -15.704 55.772 46.966 1.00 0.00 ATOM 291 CA GLY A 39 -14.325 56.051 47.338 1.00 0.00 ATOM 292 O GLY A 39 -12.431 54.575 47.635 1.00 0.00 ATOM 293 C GLY A 39 -13.612 54.807 47.910 1.00 0.00 ATOM 294 N PRO A 40 -14.329 54.018 48.705 1.00 0.00 ATOM 295 CA PRO A 40 -13.787 52.766 49.238 1.00 0.00 ATOM 296 CB PRO A 40 -14.791 52.259 50.217 1.00 0.00 ATOM 297 CG PRO A 40 -15.388 53.523 50.745 1.00 0.00 ATOM 298 CD PRO A 40 -15.562 54.398 49.526 1.00 0.00 ATOM 299 O PRO A 40 -12.426 51.138 48.124 1.00 0.00 ATOM 300 C PRO A 40 -13.470 51.793 48.108 1.00 0.00 ATOM 301 N ASN A 41 -14.361 51.686 47.128 1.00 0.00 ATOM 302 CA ASN A 41 -14.117 50.760 46.032 1.00 0.00 ATOM 303 CB ASN A 41 -15.026 51.307 44.818 1.00 0.00 ATOM 304 CG ASN A 41 -15.503 50.321 43.774 1.00 0.00 ATOM 305 ND2 ASN A 41 -16.497 50.741 42.971 1.00 0.00 ATOM 306 OD1 ASN A 41 -14.963 49.206 43.659 1.00 0.00 ATOM 307 O ASN A 41 -12.186 50.412 44.661 1.00 0.00 ATOM 308 C ASN A 41 -12.959 51.228 45.169 1.00 0.00 ATOM 309 N ARG A 42 -12.719 52.616 44.970 1.00 0.00 ATOM 310 CA ARG A 42 -11.643 53.116 44.131 1.00 0.00 ATOM 311 CB ARG A 42 -11.785 54.625 43.921 1.00 0.00 ATOM 312 CG ARG A 42 -12.952 55.021 43.030 1.00 0.00 ATOM 313 CD ARG A 42 -13.062 56.532 42.903 1.00 0.00 ATOM 314 NE ARG A 42 -14.195 56.930 42.071 1.00 0.00 ATOM 315 CZ ARG A 42 -14.529 58.190 41.817 1.00 0.00 ATOM 316 NH1 ARG A 42 -15.575 58.457 41.048 1.00 0.00 ATOM 317 NH2 ARG A 42 -13.814 59.182 42.332 1.00 0.00 ATOM 318 O ARG A 42 -9.383 52.311 44.140 1.00 0.00 ATOM 319 C ARG A 42 -10.290 52.844 44.779 1.00 0.00 ATOM 320 N PRO A 43 -10.175 53.187 46.060 1.00 0.00 ATOM 321 CA PRO A 43 -8.966 52.923 46.838 1.00 0.00 ATOM 322 CB PRO A 43 -9.322 53.400 48.247 1.00 0.00 ATOM 323 CG PRO A 43 -10.320 54.489 48.033 1.00 0.00 ATOM 324 CD PRO A 43 -11.199 54.032 46.902 1.00 0.00 ATOM 325 O PRO A 43 -7.496 51.036 46.645 1.00 0.00 ATOM 326 C PRO A 43 -8.647 51.429 46.837 1.00 0.00 ATOM 327 N PHE A 44 -9.736 50.522 47.015 1.00 0.00 ATOM 328 CA PHE A 44 -9.540 49.080 47.014 1.00 0.00 ATOM 329 CB PHE A 44 -10.880 48.400 47.307 1.00 0.00 ATOM 330 CG PHE A 44 -10.811 46.900 47.306 1.00 0.00 ATOM 331 CD1 PHE A 44 -10.311 46.214 48.399 1.00 0.00 ATOM 332 CD2 PHE A 44 -11.245 46.172 46.211 1.00 0.00 ATOM 333 CE1 PHE A 44 -10.248 44.834 48.398 1.00 0.00 ATOM 334 CE2 PHE A 44 -11.182 44.792 46.209 1.00 0.00 ATOM 335 CZ PHE A 44 -10.685 44.123 47.297 1.00 0.00 ATOM 336 O PHE A 44 -8.156 47.702 45.624 1.00 0.00 ATOM 337 C PHE A 44 -9.015 48.585 45.674 1.00 0.00 ATOM 338 N GLU A 45 -9.547 49.141 44.553 1.00 0.00 ATOM 339 CA GLU A 45 -9.094 48.746 43.226 1.00 0.00 ATOM 340 CB GLU A 45 -9.797 49.619 42.185 1.00 0.00 ATOM 341 CG GLU A 45 -9.489 49.240 40.746 1.00 0.00 ATOM 342 CD GLU A 45 -10.275 50.064 39.746 1.00 0.00 ATOM 343 OE1 GLU A 45 -11.039 50.952 40.177 1.00 0.00 ATOM 344 OE2 GLU A 45 -10.129 49.818 38.530 1.00 0.00 ATOM 345 O GLU A 45 -6.967 48.303 42.210 1.00 0.00 ATOM 346 C GLU A 45 -7.592 48.954 43.042 1.00 0.00 ATOM 347 N THR A 46 -7.025 49.886 43.804 1.00 0.00 ATOM 348 CA THR A 46 -5.608 50.224 43.688 1.00 0.00 ATOM 349 CB THR A 46 -5.389 51.748 43.717 1.00 0.00 ATOM 350 CG2 THR A 46 -6.116 52.415 42.560 1.00 0.00 ATOM 351 OG1 THR A 46 -5.888 52.282 44.949 1.00 0.00 ATOM 352 O THR A 46 -3.567 49.967 44.917 1.00 0.00 ATOM 353 C THR A 46 -4.751 49.649 44.806 1.00 0.00 ATOM 354 N ARG A 47 -5.477 48.675 45.674 1.00 0.00 ATOM 355 CA ARG A 47 -4.754 47.964 46.720 1.00 0.00 ATOM 356 CB ARG A 47 -3.332 47.635 46.260 1.00 0.00 ATOM 357 CG ARG A 47 -3.269 46.700 45.063 1.00 0.00 ATOM 358 CD ARG A 47 -1.836 46.304 44.747 1.00 0.00 ATOM 359 NE ARG A 47 -1.020 47.457 44.371 1.00 0.00 ATOM 360 CZ ARG A 47 0.282 47.400 44.117 1.00 0.00 ATOM 361 NH1 ARG A 47 0.942 48.500 43.782 1.00 0.00 ATOM 362 NH2 ARG A 47 0.923 46.242 44.197 1.00 0.00 ATOM 363 O ARG A 47 -3.919 48.225 48.926 1.00 0.00 ATOM 364 C ARG A 47 -4.598 48.710 48.032 1.00 0.00 ATOM 365 N MET A 48 -5.215 49.887 48.147 1.00 0.00 ATOM 366 CA MET A 48 -5.265 50.599 49.428 1.00 0.00 ATOM 367 CB MET A 48 -5.636 52.067 49.211 1.00 0.00 ATOM 368 CG MET A 48 -4.524 52.904 48.601 1.00 0.00 ATOM 369 SD MET A 48 -4.972 54.644 48.437 1.00 0.00 ATOM 370 CE MET A 48 -5.979 54.595 46.956 1.00 0.00 ATOM 371 O MET A 48 -7.437 49.700 49.890 1.00 0.00 ATOM 372 C MET A 48 -6.311 49.933 50.324 1.00 0.00 ATOM 373 N PRO A 49 -5.922 49.626 51.562 1.00 0.00 ATOM 374 CA PRO A 49 -6.780 48.914 52.510 1.00 0.00 ATOM 375 CB PRO A 49 -5.796 48.247 53.491 1.00 0.00 ATOM 376 CG PRO A 49 -4.504 48.247 52.792 1.00 0.00 ATOM 377 CD PRO A 49 -4.494 49.524 51.950 1.00 0.00 ATOM 378 O PRO A 49 -7.117 50.805 53.954 1.00 0.00 ATOM 379 C PRO A 49 -7.645 49.909 53.295 1.00 0.00 ATOM 380 N MET A 50 -8.971 49.805 53.199 1.00 0.00 ATOM 381 CA MET A 50 -9.849 50.746 53.885 1.00 0.00 ATOM 382 CB MET A 50 -11.286 50.604 53.379 1.00 0.00 ATOM 383 CG MET A 50 -11.474 50.998 51.924 1.00 0.00 ATOM 384 SD MET A 50 -11.074 52.729 51.614 1.00 0.00 ATOM 385 CE MET A 50 -12.422 53.546 52.466 1.00 0.00 ATOM 386 O MET A 50 -10.353 49.433 55.825 1.00 0.00 ATOM 387 C MET A 50 -10.096 50.556 55.384 1.00 0.00 ATOM 388 N LEU A 51 -9.810 51.602 56.113 1.00 0.00 ATOM 389 CA LEU A 51 -10.113 51.583 57.537 1.00 0.00 ATOM 390 CB LEU A 51 -8.958 52.178 58.289 1.00 0.00 ATOM 391 CG LEU A 51 -7.692 51.316 58.255 1.00 0.00 ATOM 392 CD1 LEU A 51 -6.544 52.009 58.983 1.00 0.00 ATOM 393 CD2 LEU A 51 -7.990 49.966 58.889 1.00 0.00 ATOM 394 O LEU A 51 -11.108 53.630 56.879 1.00 0.00 ATOM 395 C LEU A 51 -11.284 52.521 57.380 1.00 0.00 ATOM 396 N THR A 52 -12.637 52.146 57.714 1.00 0.00 ATOM 397 CA THR A 52 -13.821 52.959 57.487 1.00 0.00 ATOM 398 CB THR A 52 -14.438 52.632 56.093 1.00 0.00 ATOM 399 CG2 THR A 52 -13.371 52.632 54.974 1.00 0.00 ATOM 400 OG1 THR A 52 -15.033 51.340 56.203 1.00 0.00 ATOM 401 O THR A 52 -14.998 51.867 59.274 1.00 0.00 ATOM 402 C THR A 52 -14.873 52.885 58.585 1.00 0.00 ATOM 403 N GLN A 53 -15.641 53.967 58.729 1.00 0.00 ATOM 404 CA GLN A 53 -16.813 53.970 59.599 1.00 0.00 ATOM 405 CB GLN A 53 -17.469 55.353 59.605 1.00 0.00 ATOM 406 CG GLN A 53 -18.523 55.533 60.687 1.00 0.00 ATOM 407 CD GLN A 53 -19.868 54.955 60.291 1.00 0.00 ATOM 408 OE1 GLN A 53 -20.206 54.895 59.110 1.00 0.00 ATOM 409 NE2 GLN A 53 -20.640 54.525 61.283 1.00 0.00 ATOM 410 O GLN A 53 -18.110 52.845 57.921 1.00 0.00 ATOM 411 C GLN A 53 -17.838 52.954 59.119 1.00 0.00 ATOM 412 N ASN A 54 -18.412 52.218 60.061 1.00 0.00 ATOM 413 CA ASN A 54 -19.443 51.239 59.735 1.00 0.00 ATOM 414 CB ASN A 54 -19.618 50.244 60.882 1.00 0.00 ATOM 415 CG ASN A 54 -20.556 49.105 60.528 1.00 0.00 ATOM 416 ND2 ASN A 54 -21.101 48.449 61.546 1.00 0.00 ATOM 417 OD1 ASN A 54 -20.786 48.821 59.352 1.00 0.00 ATOM 418 O ASN A 54 -21.552 52.128 60.512 1.00 0.00 ATOM 419 C ASN A 54 -20.762 51.921 59.579 1.00 0.00 ATOM 420 N LEU A 55 -20.991 52.487 58.323 1.00 0.00 ATOM 421 CA LEU A 55 -22.090 53.388 58.002 1.00 0.00 ATOM 422 CB LEU A 55 -21.637 54.840 58.335 1.00 0.00 ATOM 423 CG LEU A 55 -22.619 55.974 57.981 1.00 0.00 ATOM 424 CD1 LEU A 55 -23.981 55.715 58.615 1.00 0.00 ATOM 425 CD2 LEU A 55 -22.059 57.298 58.519 1.00 0.00 ATOM 426 O LEU A 55 -21.590 53.472 55.694 1.00 0.00 ATOM 427 C LEU A 55 -22.490 53.405 56.552 1.00 0.00 ATOM 428 N LEU A 56 -23.861 53.246 56.339 1.00 0.00 ATOM 429 CA LEU A 56 -24.407 53.257 54.999 1.00 0.00 ATOM 430 CB LEU A 56 -24.214 54.694 54.446 1.00 0.00 ATOM 431 CG LEU A 56 -25.248 55.668 55.040 1.00 0.00 ATOM 432 CD1 LEU A 56 -25.039 57.071 54.467 1.00 0.00 ATOM 433 CD2 LEU A 56 -26.684 55.273 54.766 1.00 0.00 ATOM 434 O LEU A 56 -23.760 51.004 54.552 1.00 0.00 ATOM 435 C LEU A 56 -23.835 52.161 54.131 1.00 0.00 ATOM 436 N GLY A 57 -23.421 52.535 52.921 1.00 0.00 ATOM 437 CA GLY A 57 -22.890 51.595 51.934 1.00 0.00 ATOM 438 O GLY A 57 -21.273 49.831 51.919 1.00 0.00 ATOM 439 C GLY A 57 -21.567 50.955 52.327 1.00 0.00 ATOM 440 N LEU A 58 -20.784 51.662 53.143 1.00 0.00 ATOM 441 CA LEU A 58 -19.470 51.166 53.583 1.00 0.00 ATOM 442 CB LEU A 58 -18.803 52.175 54.520 1.00 0.00 ATOM 443 CG LEU A 58 -18.336 53.486 53.882 1.00 0.00 ATOM 444 CD1 LEU A 58 -17.861 54.463 54.947 1.00 0.00 ATOM 445 CD2 LEU A 58 -17.185 53.234 52.919 1.00 0.00 ATOM 446 O LEU A 58 -18.709 48.977 54.215 1.00 0.00 ATOM 447 C LEU A 58 -19.581 49.840 54.335 1.00 0.00 ATOM 448 N PRO A 59 -20.742 49.769 55.101 1.00 0.00 ATOM 449 CA PRO A 59 -21.103 48.497 55.726 1.00 0.00 ATOM 450 CB PRO A 59 -22.428 48.792 56.430 1.00 0.00 ATOM 451 CG PRO A 59 -22.370 50.251 56.740 1.00 0.00 ATOM 452 CD PRO A 59 -21.695 50.900 55.564 1.00 0.00 ATOM 453 O PRO A 59 -20.928 46.220 54.986 1.00 0.00 ATOM 454 C PRO A 59 -21.267 47.374 54.706 1.00 0.00 ATOM 455 N LEU A 60 -21.801 47.719 53.535 1.00 0.00 ATOM 456 CA LEU A 60 -22.102 46.745 52.484 1.00 0.00 ATOM 457 CB LEU A 60 -23.087 47.335 51.472 1.00 0.00 ATOM 458 CG LEU A 60 -24.492 47.640 51.994 1.00 0.00 ATOM 459 CD1 LEU A 60 -25.322 48.339 50.927 1.00 0.00 ATOM 460 CD2 LEU A 60 -25.209 46.359 52.391 1.00 0.00 ATOM 461 O LEU A 60 -20.651 45.178 51.362 1.00 0.00 ATOM 462 C LEU A 60 -20.829 46.341 51.733 1.00 0.00 ATOM 463 N ARG A 61 -19.949 47.318 51.532 1.00 0.00 ATOM 464 CA ARG A 61 -18.751 47.165 50.700 1.00 0.00 ATOM 465 CB ARG A 61 -18.261 48.529 50.211 1.00 0.00 ATOM 466 CG ARG A 61 -19.170 49.184 49.183 1.00 0.00 ATOM 467 CD ARG A 61 -18.652 50.557 48.784 1.00 0.00 ATOM 468 NE ARG A 61 -19.501 51.188 47.776 1.00 0.00 ATOM 469 CZ ARG A 61 -19.455 50.905 46.477 1.00 0.00 ATOM 470 NH1 ARG A 61 -20.265 51.530 45.634 1.00 0.00 ATOM 471 NH2 ARG A 61 -18.600 49.996 46.028 1.00 0.00 ATOM 472 O ARG A 61 -16.949 45.581 50.959 1.00 0.00 ATOM 473 C ARG A 61 -17.597 46.506 51.461 1.00 0.00 ATOM 474 N VAL A 62 -17.344 46.982 52.675 1.00 0.00 ATOM 475 CA VAL A 62 -16.171 46.559 53.429 1.00 0.00 ATOM 476 CB VAL A 62 -15.682 47.665 54.381 1.00 0.00 ATOM 477 CG1 VAL A 62 -14.505 47.174 55.208 1.00 0.00 ATOM 478 CG2 VAL A 62 -15.241 48.890 53.594 1.00 0.00 ATOM 479 O VAL A 62 -17.463 45.258 54.990 1.00 0.00 ATOM 480 C VAL A 62 -16.459 45.327 54.277 1.00 0.00 ATOM 481 N ALA A 63 -15.561 44.351 54.166 1.00 0.00 ATOM 482 CA ALA A 63 -15.672 43.082 54.869 1.00 0.00 ATOM 483 CB ALA A 63 -15.810 41.937 53.877 1.00 0.00 ATOM 484 O ALA A 63 -13.421 43.578 55.539 1.00 0.00 ATOM 485 C ALA A 63 -14.419 42.869 55.710 1.00 0.00 ATOM 486 N ALA A 64 -14.472 41.888 56.608 1.00 0.00 ATOM 487 CA ALA A 64 -13.311 41.500 57.405 1.00 0.00 ATOM 488 CB ALA A 64 -13.687 40.408 58.395 1.00 0.00 ATOM 489 O ALA A 64 -10.994 41.368 56.834 1.00 0.00 ATOM 490 C ALA A 64 -12.168 41.115 56.503 1.00 0.00 ATOM 491 N GLY A 65 -12.583 40.542 55.280 1.00 0.00 ATOM 492 CA GLY A 65 -11.514 40.089 54.392 1.00 0.00 ATOM 493 O GLY A 65 -9.796 41.018 52.988 1.00 0.00 ATOM 494 C GLY A 65 -10.830 41.225 53.633 1.00 0.00 ATOM 495 N CYS A 66 -11.411 42.422 53.699 1.00 0.00 ATOM 496 CA CYS A 66 -10.968 43.524 52.837 1.00 0.00 ATOM 497 CB CYS A 66 -12.106 43.976 51.919 1.00 0.00 ATOM 498 SG CYS A 66 -12.788 42.668 50.875 1.00 0.00 ATOM 499 O CYS A 66 -9.693 45.535 53.069 1.00 0.00 ATOM 500 C CYS A 66 -10.500 44.774 53.588 1.00 0.00 ATOM 501 N VAL A 67 -10.971 44.970 54.816 1.00 0.00 ATOM 502 CA VAL A 67 -10.611 46.176 55.552 1.00 0.00 ATOM 503 CB VAL A 67 -11.326 47.417 54.985 1.00 0.00 ATOM 504 CG1 VAL A 67 -10.915 47.655 53.541 1.00 0.00 ATOM 505 CG2 VAL A 67 -12.835 47.231 55.031 1.00 0.00 ATOM 506 O VAL A 67 -11.214 45.072 57.591 1.00 0.00 ATOM 507 C VAL A 67 -10.956 46.141 57.020 1.00 0.00 ATOM 508 N LYS A 68 -10.941 47.319 57.637 1.00 0.00 ATOM 509 CA LYS A 68 -11.248 47.445 59.054 1.00 0.00 ATOM 510 CB LYS A 68 -10.037 47.979 59.820 1.00 0.00 ATOM 511 CG LYS A 68 -10.283 48.181 61.307 1.00 0.00 ATOM 512 CD LYS A 68 -10.356 46.851 62.040 1.00 0.00 ATOM 513 CE LYS A 68 -10.348 47.051 63.547 1.00 0.00 ATOM 514 NZ LYS A 68 -10.656 45.790 64.275 1.00 0.00 ATOM 515 O LYS A 68 -12.438 49.482 58.681 1.00 0.00 ATOM 516 C LYS A 68 -12.439 48.378 59.220 1.00 0.00 ATOM 517 N SER A 69 -13.535 47.952 59.991 1.00 0.00 ATOM 518 CA SER A 69 -14.735 48.750 60.184 1.00 0.00 ATOM 519 CB SER A 69 -16.040 47.983 59.962 1.00 0.00 ATOM 520 OG SER A 69 -17.157 48.746 60.385 1.00 0.00 ATOM 521 O SER A 69 -14.276 48.427 62.523 1.00 0.00 ATOM 522 C SER A 69 -14.684 49.190 61.645 1.00 0.00 ATOM 523 N TRP A 70 -15.062 50.442 61.883 1.00 0.00 ATOM 524 CA TRP A 70 -15.065 51.033 63.214 1.00 0.00 ATOM 525 CB TRP A 70 -14.673 52.477 62.959 1.00 0.00 ATOM 526 CG TRP A 70 -13.188 52.618 62.851 1.00 0.00 ATOM 527 CD1 TRP A 70 -12.249 51.625 62.852 1.00 0.00 ATOM 528 CD2 TRP A 70 -12.470 53.850 62.734 1.00 0.00 ATOM 529 CE2 TRP A 70 -11.096 53.530 62.671 1.00 0.00 ATOM 530 CE3 TRP A 70 -12.856 55.196 62.677 1.00 0.00 ATOM 531 NE1 TRP A 70 -10.986 52.166 62.745 1.00 0.00 ATOM 532 CZ2 TRP A 70 -10.105 54.510 62.554 1.00 0.00 ATOM 533 CZ3 TRP A 70 -11.871 56.172 62.561 1.00 0.00 ATOM 534 CH2 TRP A 70 -10.509 55.820 62.501 1.00 0.00 ATOM 535 O TRP A 70 -17.102 52.083 62.508 1.00 0.00 ATOM 536 C TRP A 70 -16.399 51.738 63.456 1.00 0.00 ATOM 537 N ASN A 71 -16.717 51.979 64.725 1.00 0.00 ATOM 538 CA ASN A 71 -17.910 52.740 65.098 1.00 0.00 ATOM 539 CB ASN A 71 -18.180 52.613 66.598 1.00 0.00 ATOM 540 CG ASN A 71 -18.606 51.214 66.998 1.00 0.00 ATOM 541 ND2 ASN A 71 -18.406 50.875 68.266 1.00 0.00 ATOM 542 OD1 ASN A 71 -19.109 50.450 66.175 1.00 0.00 ATOM 543 O ASN A 71 -16.675 54.784 65.093 1.00 0.00 ATOM 544 C ASN A 71 -17.708 54.210 64.756 1.00 0.00 ATOM 545 N TYR A 72 -18.678 54.805 64.064 1.00 0.00 ATOM 546 CA TYR A 72 -18.586 56.215 63.679 1.00 0.00 ATOM 547 CB TYR A 72 -19.905 56.677 63.097 1.00 0.00 ATOM 548 CG TYR A 72 -19.940 58.165 62.858 1.00 0.00 ATOM 549 CD1 TYR A 72 -19.095 58.761 61.923 1.00 0.00 ATOM 550 CD2 TYR A 72 -20.810 58.982 63.578 1.00 0.00 ATOM 551 CE1 TYR A 72 -19.118 60.137 61.706 1.00 0.00 ATOM 552 CE2 TYR A 72 -20.839 60.358 63.371 1.00 0.00 ATOM 553 CZ TYR A 72 -19.994 60.928 62.434 1.00 0.00 ATOM 554 OH TYR A 72 -20.027 62.286 62.222 1.00 0.00 ATOM 555 O TYR A 72 -19.103 56.822 65.944 1.00 0.00 ATOM 556 C TYR A 72 -18.503 57.116 64.910 1.00 0.00 ATOM 557 N VAL A 73 -17.712 58.287 64.635 1.00 0.00 ATOM 558 CA VAL A 73 -17.634 59.325 65.655 1.00 0.00 ATOM 559 CB VAL A 73 -19.029 59.688 66.198 1.00 0.00 ATOM 560 CG1 VAL A 73 -19.589 58.549 67.035 1.00 0.00 ATOM 561 CG2 VAL A 73 -18.953 60.933 67.070 1.00 0.00 ATOM 562 O VAL A 73 -16.870 59.754 67.877 1.00 0.00 ATOM 563 C VAL A 73 -16.804 59.014 66.890 1.00 0.00 ATOM 564 N GLU A 74 -16.020 57.943 66.838 1.00 0.00 ATOM 565 CA GLU A 74 -15.234 57.494 67.989 1.00 0.00 ATOM 566 CB GLU A 74 -15.556 56.669 68.902 1.00 0.00 ATOM 567 CG GLU A 74 -16.196 57.454 70.048 1.00 0.00 ATOM 568 CD GLU A 74 -15.187 58.228 70.898 1.00 0.00 ATOM 569 OE1 GLU A 74 -15.501 59.362 71.309 1.00 0.00 ATOM 570 OE2 GLU A 74 -14.079 57.707 71.160 1.00 0.00 ATOM 571 O GLU A 74 -13.285 56.974 66.747 1.00 0.00 ATOM 572 C GLU A 74 -13.767 57.669 67.618 1.00 0.00 ATOM 573 N ALA A 75 -12.989 58.649 68.236 1.00 0.00 ATOM 574 CA ALA A 75 -11.597 58.808 67.844 1.00 0.00 ATOM 575 CB ALA A 75 -11.116 60.139 68.401 1.00 0.00 ATOM 576 O ALA A 75 -9.780 57.245 67.947 1.00 0.00 ATOM 577 C ALA A 75 -10.781 57.699 68.502 1.00 0.00 ATOM 578 N SER A 76 -11.204 57.247 69.691 1.00 0.00 ATOM 579 CA SER A 76 -10.500 56.187 70.405 1.00 0.00 ATOM 580 CB SER A 76 -11.217 55.915 71.730 1.00 0.00 ATOM 581 OG SER A 76 -11.060 56.999 72.628 1.00 0.00 ATOM 582 O SER A 76 -9.447 54.254 69.485 1.00 0.00 ATOM 583 C SER A 76 -10.498 54.878 69.635 1.00 0.00 ATOM 584 N ILE A 77 -11.663 54.469 69.132 1.00 0.00 ATOM 585 CA ILE A 77 -11.787 53.256 68.324 1.00 0.00 ATOM 586 CB ILE A 77 -13.248 53.006 67.902 1.00 0.00 ATOM 587 CG1 ILE A 77 -14.103 52.657 69.121 1.00 0.00 ATOM 588 CG2 ILE A 77 -13.326 51.856 66.911 1.00 0.00 ATOM 589 CD1 ILE A 77 -15.591 52.657 68.844 1.00 0.00 ATOM 590 O ILE A 77 -10.228 52.408 66.713 1.00 0.00 ATOM 591 C ILE A 77 -10.923 53.361 67.077 1.00 0.00 ATOM 592 N GLY A 78 -10.947 54.537 66.440 1.00 0.00 ATOM 593 CA GLY A 78 -10.166 54.777 65.240 1.00 0.00 ATOM 594 O GLY A 78 -7.941 53.985 64.823 1.00 0.00 ATOM 595 C GLY A 78 -8.672 54.657 65.552 1.00 0.00 ATOM 596 N LEU A 79 -8.235 55.307 66.628 1.00 0.00 ATOM 597 CA LEU A 79 -6.843 55.216 67.073 1.00 0.00 ATOM 598 CB LEU A 79 -6.655 55.957 68.399 1.00 0.00 ATOM 599 CG LEU A 79 -5.245 55.939 68.991 1.00 0.00 ATOM 600 CD1 LEU A 79 -4.262 56.637 68.063 1.00 0.00 ATOM 601 CD2 LEU A 79 -5.216 56.649 70.336 1.00 0.00 ATOM 602 O LEU A 79 -5.340 53.348 66.873 1.00 0.00 ATOM 603 C LEU A 79 -6.426 53.754 67.294 1.00 0.00 ATOM 604 N ALA A 80 -7.293 52.969 67.945 1.00 0.00 ATOM 605 CA ALA A 80 -7.058 51.527 68.140 1.00 0.00 ATOM 606 CB ALA A 80 -8.237 50.893 68.863 1.00 0.00 ATOM 607 O ALA A 80 -6.042 49.908 66.681 1.00 0.00 ATOM 608 C ALA A 80 -6.912 50.774 66.819 1.00 0.00 ATOM 609 N ALA A 81 -7.766 51.101 65.837 1.00 0.00 ATOM 610 CA ALA A 81 -7.724 50.452 64.530 1.00 0.00 ATOM 611 CB ALA A 81 -8.915 50.912 63.702 1.00 0.00 ATOM 612 O ALA A 81 -5.822 49.948 63.166 1.00 0.00 ATOM 613 C ALA A 81 -6.436 50.811 63.804 1.00 0.00 ATOM 614 N ILE A 82 -6.041 52.064 63.868 1.00 0.00 ATOM 615 CA ILE A 82 -4.779 52.504 63.241 1.00 0.00 ATOM 616 CB ILE A 82 -4.572 54.015 63.455 1.00 0.00 ATOM 617 CG1 ILE A 82 -5.627 54.811 62.683 1.00 0.00 ATOM 618 CG2 ILE A 82 -3.197 54.439 62.968 1.00 0.00 ATOM 619 CD1 ILE A 82 -5.667 56.280 63.044 1.00 0.00 ATOM 620 O ILE A 82 -2.628 51.428 63.071 1.00 0.00 ATOM 621 C ILE A 82 -3.540 51.790 63.819 1.00 0.00 ATOM 622 N ASN A 83 -3.521 51.583 65.136 1.00 0.00 ATOM 623 CA ASN A 83 -2.443 50.835 65.790 1.00 0.00 ATOM 624 CB ASN A 83 -2.610 50.871 67.310 1.00 0.00 ATOM 625 CG ASN A 83 -2.280 52.227 67.900 1.00 0.00 ATOM 626 ND2 ASN A 83 -2.790 52.492 69.098 1.00 0.00 ATOM 627 OD1 ASN A 83 -1.574 53.028 67.286 1.00 0.00 ATOM 628 O ASN A 83 -1.385 48.793 65.085 1.00 0.00 ATOM 629 C ASN A 83 -2.439 49.368 65.348 1.00 0.00 ATOM 630 N ALA A 84 -3.632 48.784 65.259 1.00 0.00 ATOM 631 CA ALA A 84 -3.825 47.426 64.767 1.00 0.00 ATOM 632 CB ALA A 84 -5.300 47.059 64.790 1.00 0.00 ATOM 633 O ALA A 84 -2.605 46.353 62.982 1.00 0.00 ATOM 634 C ALA A 84 -3.315 47.301 63.325 1.00 0.00 ATOM 635 N TYR A 85 -3.679 48.271 62.488 1.00 0.00 ATOM 636 CA TYR A 85 -3.268 48.293 61.081 1.00 0.00 ATOM 637 CB TYR A 85 -4.021 49.386 60.315 1.00 0.00 ATOM 638 CG TYR A 85 -3.649 49.446 58.848 1.00 0.00 ATOM 639 CD1 TYR A 85 -4.410 48.782 57.885 1.00 0.00 ATOM 640 CD2 TYR A 85 -2.504 50.123 58.428 1.00 0.00 ATOM 641 CE1 TYR A 85 -4.037 48.788 56.540 1.00 0.00 ATOM 642 CE2 TYR A 85 -2.121 50.134 57.091 1.00 0.00 ATOM 643 CZ TYR A 85 -2.891 49.464 56.153 1.00 0.00 ATOM 644 OH TYR A 85 -2.505 49.470 54.831 1.00 0.00 ATOM 645 O TYR A 85 -1.079 47.839 60.174 1.00 0.00 ATOM 646 C TYR A 85 -1.760 48.525 60.947 1.00 0.00 ATOM 647 N TYR A 86 -1.239 49.470 61.723 1.00 0.00 ATOM 648 CA TYR A 86 0.178 49.821 61.676 1.00 0.00 ATOM 649 CB TYR A 86 0.527 50.792 62.805 1.00 0.00 ATOM 650 CG TYR A 86 1.993 51.157 62.870 1.00 0.00 ATOM 651 CD1 TYR A 86 2.529 52.103 62.007 1.00 0.00 ATOM 652 CD2 TYR A 86 2.836 50.551 63.795 1.00 0.00 ATOM 653 CE1 TYR A 86 3.868 52.441 62.060 1.00 0.00 ATOM 654 CE2 TYR A 86 4.176 50.877 63.859 1.00 0.00 ATOM 655 CZ TYR A 86 4.690 51.831 62.982 1.00 0.00 ATOM 656 OH TYR A 86 6.024 52.166 63.037 1.00 0.00 ATOM 657 O TYR A 86 2.112 48.482 61.141 1.00 0.00 ATOM 658 C TYR A 86 1.094 48.598 61.828 1.00 0.00 ATOM 659 N ASN A 87 0.698 47.689 62.716 1.00 0.00 ATOM 660 CA ASN A 87 1.534 46.566 63.126 1.00 0.00 ATOM 661 CB ASN A 87 1.056 46.004 64.467 1.00 0.00 ATOM 662 CG ASN A 87 1.258 46.977 65.612 1.00 0.00 ATOM 663 ND2 ASN A 87 0.422 46.863 66.638 1.00 0.00 ATOM 664 OD1 ASN A 87 2.153 47.819 65.573 1.00 0.00 ATOM 665 O ASN A 87 2.662 44.591 62.372 1.00 0.00 ATOM 666 C ASN A 87 1.809 45.443 62.123 1.00 0.00 ATOM 667 N ASN A 88 1.052 45.503 60.956 1.00 0.00 ATOM 668 CA ASN A 88 1.265 44.471 59.939 1.00 0.00 ATOM 669 CB ASN A 88 0.296 43.309 60.164 1.00 0.00 ATOM 670 CG ASN A 88 0.461 42.682 61.530 1.00 0.00 ATOM 671 ND2 ASN A 88 -0.572 42.794 62.359 1.00 0.00 ATOM 672 OD1 ASN A 88 1.512 42.113 61.844 1.00 0.00 ATOM 673 O ASN A 88 0.128 44.752 57.848 1.00 0.00 ATOM 674 C ASN A 88 1.211 44.751 58.438 1.00 0.00 ATOM 675 N PRO A 89 2.380 44.950 57.823 1.00 0.00 ATOM 676 CA PRO A 89 2.463 45.137 56.368 1.00 0.00 ATOM 677 CB PRO A 89 3.904 45.447 56.092 1.00 0.00 ATOM 678 CG PRO A 89 4.638 44.817 57.234 1.00 0.00 ATOM 679 CD PRO A 89 3.757 45.138 58.413 1.00 0.00 ATOM 680 O PRO A 89 1.261 44.067 54.590 1.00 0.00 ATOM 681 C PRO A 89 1.925 43.920 55.619 1.00 0.00 ATOM 682 N GLN A 90 2.181 42.723 56.154 1.00 0.00 ATOM 683 CA GLN A 90 1.636 41.496 55.558 1.00 0.00 ATOM 684 CB GLN A 90 2.178 40.251 56.139 1.00 0.00 ATOM 685 CG GLN A 90 3.600 39.967 55.667 1.00 0.00 ATOM 686 CD GLN A 90 4.337 38.932 56.516 1.00 0.00 ATOM 687 OE1 GLN A 90 5.565 38.834 56.449 1.00 0.00 ATOM 688 NE2 GLN A 90 3.593 38.156 57.315 1.00 0.00 ATOM 689 O GLN A 90 -0.596 41.113 54.769 1.00 0.00 ATOM 690 C GLN A 90 0.114 41.428 55.719 1.00 0.00 ATOM 691 N VAL A 91 -0.375 41.745 56.919 1.00 0.00 ATOM 692 CA VAL A 91 -1.810 41.673 57.209 1.00 0.00 ATOM 693 CB VAL A 91 -2.102 41.980 58.689 1.00 0.00 ATOM 694 CG1 VAL A 91 -3.601 42.096 58.923 1.00 0.00 ATOM 695 CG2 VAL A 91 -1.560 40.873 59.580 1.00 0.00 ATOM 696 O VAL A 91 -3.688 42.367 55.895 1.00 0.00 ATOM 697 C VAL A 91 -2.599 42.683 56.383 1.00 0.00 ATOM 698 N ALA A 92 -2.073 43.877 56.216 1.00 0.00 ATOM 699 CA ALA A 92 -2.758 44.881 55.388 1.00 0.00 ATOM 700 CB ALA A 92 -1.905 46.139 55.316 1.00 0.00 ATOM 701 O ALA A 92 -3.948 44.437 53.363 1.00 0.00 ATOM 702 C ALA A 92 -2.868 44.356 53.970 1.00 0.00 ATOM 703 N ARG A 93 -1.764 43.787 53.431 1.00 0.00 ATOM 704 CA ARG A 93 -1.794 43.219 52.095 1.00 0.00 ATOM 705 CB ARG A 93 -0.383 42.806 51.647 1.00 0.00 ATOM 706 CG ARG A 93 -0.435 42.463 50.144 1.00 0.00 ATOM 707 CD ARG A 93 0.811 41.743 49.671 1.00 0.00 ATOM 708 NE ARG A 93 0.854 41.641 48.208 1.00 0.00 ATOM 709 CZ ARG A 93 0.516 40.507 47.592 1.00 0.00 ATOM 710 NH1 ARG A 93 0.094 39.435 48.266 1.00 0.00 ATOM 711 NH2 ARG A 93 0.622 40.481 46.266 1.00 0.00 ATOM 712 O ARG A 93 -3.520 41.958 51.086 1.00 0.00 ATOM 713 C ARG A 93 -2.751 42.050 52.046 1.00 0.00 ATOM 714 N GLU A 94 -2.803 41.199 53.087 1.00 0.00 ATOM 715 CA GLU A 94 -3.774 40.108 53.044 1.00 0.00 ATOM 716 CB GLU A 94 -3.829 39.265 54.278 1.00 0.00 ATOM 717 CG GLU A 94 -2.538 38.509 54.527 1.00 0.00 ATOM 718 CD GLU A 94 -2.213 37.639 53.321 1.00 0.00 ATOM 719 OE1 GLU A 94 -3.169 37.144 52.688 1.00 0.00 ATOM 720 OE2 GLU A 94 -1.019 37.478 53.012 1.00 0.00 ATOM 721 O GLU A 94 -6.026 40.115 52.189 1.00 0.00 ATOM 722 C GLU A 94 -5.203 40.631 52.947 1.00 0.00 ATOM 723 N HIS A 95 -5.560 41.677 53.702 1.00 0.00 ATOM 724 CA HIS A 95 -6.890 42.264 53.599 1.00 0.00 ATOM 725 CB HIS A 95 -7.158 43.351 54.639 1.00 0.00 ATOM 726 CG HIS A 95 -7.374 42.802 56.019 1.00 0.00 ATOM 727 CD2 HIS A 95 -7.628 41.592 56.552 1.00 0.00 ATOM 728 ND1 HIS A 95 -7.348 43.675 57.083 1.00 0.00 ATOM 729 CE1 HIS A 95 -7.580 43.022 58.226 1.00 0.00 ATOM 730 NE2 HIS A 95 -7.756 41.725 57.935 1.00 0.00 ATOM 731 O HIS A 95 -8.261 42.648 51.675 1.00 0.00 ATOM 732 C HIS A 95 -7.155 42.830 52.197 1.00 0.00 ATOM 733 N GLY A 96 -6.179 43.496 51.607 1.00 0.00 ATOM 734 CA GLY A 96 -6.357 44.061 50.258 1.00 0.00 ATOM 735 O GLY A 96 -7.423 43.079 48.339 1.00 0.00 ATOM 736 C GLY A 96 -6.548 42.972 49.203 1.00 0.00 ATOM 737 N VAL A 97 -5.718 41.942 49.277 1.00 0.00 ATOM 738 CA VAL A 97 -5.750 40.812 48.321 1.00 0.00 ATOM 739 CB VAL A 97 -4.872 41.092 47.086 1.00 0.00 ATOM 740 CG1 VAL A 97 -5.403 42.291 46.317 1.00 0.00 ATOM 741 CG2 VAL A 97 -3.440 41.386 47.507 1.00 0.00 ATOM 742 O VAL A 97 -4.666 39.731 50.144 1.00 0.00 ATOM 743 C VAL A 97 -5.221 39.590 49.066 1.00 0.00 ATOM 744 N ILE A 98 -5.413 38.403 48.494 1.00 0.00 ATOM 745 CA ILE A 98 -4.976 37.130 49.083 1.00 0.00 ATOM 746 CB ILE A 98 -6.004 36.594 50.096 1.00 0.00 ATOM 747 CG1 ILE A 98 -5.474 35.332 50.779 1.00 0.00 ATOM 748 CG2 ILE A 98 -7.310 36.249 49.397 1.00 0.00 ATOM 749 CD1 ILE A 98 -4.372 35.598 51.782 1.00 0.00 ATOM 750 O ILE A 98 -5.708 35.311 47.628 1.00 0.00 ATOM 751 C ILE A 98 -4.787 36.059 47.994 1.00 0.00 ATOM 752 N PHE A 99 -3.591 35.977 47.082 1.00 0.00 ATOM 753 CA PHE A 99 -3.457 35.059 45.988 1.00 0.00 ATOM 754 CB PHE A 99 -1.989 34.917 45.584 1.00 0.00 ATOM 755 CG PHE A 99 -1.147 34.199 46.600 1.00 0.00 ATOM 756 CD1 PHE A 99 -0.982 32.827 46.538 1.00 0.00 ATOM 757 CD2 PHE A 99 -0.520 34.896 47.618 1.00 0.00 ATOM 758 CE1 PHE A 99 -0.208 32.166 47.472 1.00 0.00 ATOM 759 CE2 PHE A 99 0.254 34.235 48.553 1.00 0.00 ATOM 760 CZ PHE A 99 0.412 32.876 48.482 1.00 0.00 ATOM 761 O PHE A 99 -4.710 33.072 45.405 1.00 0.00 ATOM 762 C PHE A 99 -4.067 33.674 46.273 1.00 0.00 ATOM 763 N SER A 100 -3.955 33.225 47.510 1.00 0.00 ATOM 764 CA SER A 100 -4.458 31.913 47.913 1.00 0.00 ATOM 765 CB SER A 100 -3.967 31.565 49.310 1.00 0.00 ATOM 766 OG SER A 100 -4.402 32.533 50.239 1.00 0.00 ATOM 767 O SER A 100 -6.482 30.641 47.824 1.00 0.00 ATOM 768 C SER A 100 -5.975 31.760 47.901 1.00 0.00 ATOM 769 N ASP A 101 -6.704 32.866 48.002 1.00 0.00 ATOM 770 CA ASP A 101 -8.160 32.771 48.022 1.00 0.00 ATOM 771 CB ASP A 101 -8.736 33.612 49.164 1.00 0.00 ATOM 772 CG ASP A 101 -10.144 33.194 49.541 1.00 0.00 ATOM 773 OD1 ASP A 101 -10.361 31.989 49.786 1.00 0.00 ATOM 774 OD2 ASP A 101 -11.030 34.074 49.592 1.00 0.00 ATOM 775 O ASP A 101 -10.125 33.232 46.705 1.00 0.00 ATOM 776 C ASP A 101 -8.887 33.247 46.757 1.00 0.00 ATOM 777 N ALA A 102 -8.146 33.653 45.731 1.00 0.00 ATOM 778 CA ALA A 102 -8.775 34.079 44.487 1.00 0.00 ATOM 779 CB ALA A 102 -7.719 34.385 43.436 1.00 0.00 ATOM 780 O ALA A 102 -9.282 31.844 43.883 1.00 0.00 ATOM 781 C ALA A 102 -9.692 33.004 43.931 1.00 0.00 ATOM 782 N LYS A 103 -7.825 30.783 45.633 1.00 0.00 ATOM 783 CA LYS A 103 -7.168 29.505 45.397 1.00 0.00 ATOM 784 CB LYS A 103 -5.812 29.717 44.720 1.00 0.00 ATOM 785 CG LYS A 103 -5.071 28.429 44.399 1.00 0.00 ATOM 786 CD LYS A 103 -3.770 28.709 43.666 1.00 0.00 ATOM 787 CE LYS A 103 -3.006 27.425 43.388 1.00 0.00 ATOM 788 NZ LYS A 103 -1.716 27.687 42.692 1.00 0.00 ATOM 789 O LYS A 103 -7.386 27.657 46.903 1.00 0.00 ATOM 790 C LYS A 103 -6.954 28.796 46.737 1.00 0.00 ATOM 791 N ARG A 104 -6.347 29.489 47.699 1.00 0.00 ATOM 792 CA ARG A 104 -5.865 28.868 48.920 1.00 0.00 ATOM 793 CB ARG A 104 -5.028 27.659 48.693 1.00 0.00 ATOM 794 CG ARG A 104 -5.599 26.418 49.330 1.00 0.00 ATOM 795 CD ARG A 104 -4.587 25.318 49.560 1.00 0.00 ATOM 796 NE ARG A 104 -3.870 24.961 48.332 1.00 0.00 ATOM 797 CZ ARG A 104 -2.583 25.199 48.095 1.00 0.00 ATOM 798 NH1 ARG A 104 -1.823 25.816 48.997 1.00 0.00 ATOM 799 NH2 ARG A 104 -2.046 24.819 46.936 1.00 0.00 ATOM 800 O ARG A 104 -5.252 30.185 50.824 1.00 0.00 ATOM 801 C ARG A 104 -6.156 29.703 50.165 1.00 0.00 ATOM 802 N VAL A 105 -7.428 29.893 50.497 1.00 0.00 ATOM 803 CA VAL A 105 -7.741 30.688 51.689 1.00 0.00 ATOM 804 CB VAL A 105 -9.261 30.831 51.890 1.00 0.00 ATOM 805 CG1 VAL A 105 -9.864 29.511 52.349 1.00 0.00 ATOM 806 CG2 VAL A 105 -9.563 31.888 52.941 1.00 0.00 ATOM 807 O VAL A 105 -6.988 30.855 53.939 1.00 0.00 ATOM 808 C VAL A 105 -7.210 30.119 52.985 1.00 0.00 ATOM 809 N GLU A 106 -6.985 28.816 53.036 1.00 0.00 ATOM 810 CA GLU A 106 -6.436 28.248 54.231 1.00 0.00 ATOM 811 CB GLU A 106 -6.403 26.721 54.132 1.00 0.00 ATOM 812 CG GLU A 106 -7.772 26.067 54.179 1.00 0.00 ATOM 813 CD GLU A 106 -7.708 24.564 53.986 1.00 0.00 ATOM 814 OE1 GLU A 106 -6.597 24.042 53.754 1.00 0.00 ATOM 815 OE2 GLU A 106 -8.768 23.907 54.067 1.00 0.00 ATOM 816 O GLU A 106 -4.627 28.924 55.659 1.00 0.00 ATOM 817 C GLU A 106 -5.029 28.780 54.503 1.00 0.00 ATOM 818 N ASP A 107 -4.242 29.148 53.367 1.00 0.00 ATOM 819 CA ASP A 107 -2.907 29.712 53.533 1.00 0.00 ATOM 820 CB ASP A 107 -2.285 30.012 52.167 1.00 0.00 ATOM 821 CG ASP A 107 -1.835 28.759 51.444 1.00 0.00 ATOM 822 OD1 ASP A 107 -1.784 27.687 52.085 1.00 0.00 ATOM 823 OD2 ASP A 107 -1.533 28.846 50.235 1.00 0.00 ATOM 824 O ASP A 107 -2.120 31.309 55.166 1.00 0.00 ATOM 825 C ASP A 107 -2.979 31.025 54.318 1.00 0.00 ATOM 826 N ARG A 108 -3.983 31.834 54.034 1.00 0.00 ATOM 827 CA ARG A 108 -4.141 33.132 54.726 1.00 0.00 ATOM 828 CB ARG A 108 -5.232 33.967 54.055 1.00 0.00 ATOM 829 CG ARG A 108 -5.435 35.339 54.677 1.00 0.00 ATOM 830 CD ARG A 108 -6.542 36.106 53.976 1.00 0.00 ATOM 831 NE ARG A 108 -7.844 35.462 54.139 1.00 0.00 ATOM 832 CZ ARG A 108 -8.902 35.710 53.374 1.00 0.00 ATOM 833 NH1 ARG A 108 -10.045 35.075 53.596 1.00 0.00 ATOM 834 NH2 ARG A 108 -8.814 36.592 52.388 1.00 0.00 ATOM 835 O ARG A 108 -3.981 33.505 57.074 1.00 0.00 ATOM 836 C ARG A 108 -4.523 32.897 56.169 1.00 0.00 ATOM 837 N MET A 109 -5.504 32.032 56.400 1.00 0.00 ATOM 838 CA MET A 109 -5.920 31.747 57.781 1.00 0.00 ATOM 839 CB MET A 109 -7.065 30.730 57.796 1.00 0.00 ATOM 840 CG MET A 109 -8.377 31.266 57.253 1.00 0.00 ATOM 841 SD MET A 109 -9.661 30.003 57.164 1.00 0.00 ATOM 842 CE MET A 109 -9.966 29.707 58.905 1.00 0.00 ATOM 843 O MET A 109 -4.583 31.621 59.721 1.00 0.00 ATOM 844 C MET A 109 -4.771 31.178 58.608 1.00 0.00 ATOM 845 N ASN A 110 -4.016 30.208 58.089 1.00 0.00 ATOM 846 CA ASN A 110 -2.852 29.675 58.781 1.00 0.00 ATOM 847 CB ASN A 110 -2.165 28.604 57.930 1.00 0.00 ATOM 848 CG ASN A 110 -2.954 27.312 57.873 1.00 0.00 ATOM 849 ND2 ASN A 110 -2.672 26.492 56.867 1.00 0.00 ATOM 850 OD1 ASN A 110 -3.808 27.055 58.722 1.00 0.00 ATOM 851 O ASN A 110 -1.192 30.704 60.144 1.00 0.00 ATOM 852 C ASN A 110 -1.815 30.759 59.087 1.00 0.00 ATOM 853 N ASP A 111 -1.633 31.712 58.174 1.00 0.00 ATOM 854 CA ASP A 111 -0.715 32.835 58.397 1.00 0.00 ATOM 855 CB ASP A 111 -0.641 33.723 57.154 1.00 0.00 ATOM 856 CG ASP A 111 0.124 33.073 56.019 1.00 0.00 ATOM 857 OD1 ASP A 111 0.796 32.049 56.262 1.00 0.00 ATOM 858 OD2 ASP A 111 0.051 33.587 54.881 1.00 0.00 ATOM 859 O ASP A 111 -0.403 34.044 60.419 1.00 0.00 ATOM 860 C ASP A 111 -1.187 33.671 59.556 1.00 0.00 ATOM 861 N PRO A 112 -2.559 34.041 59.586 1.00 0.00 ATOM 862 CA PRO A 112 -3.167 34.751 60.738 1.00 0.00 ATOM 863 CB PRO A 112 -4.622 34.873 60.361 1.00 0.00 ATOM 864 CG PRO A 112 -4.563 35.045 58.862 1.00 0.00 ATOM 865 CD PRO A 112 -3.534 34.004 58.461 1.00 0.00 ATOM 866 O PRO A 112 -2.491 34.634 63.032 1.00 0.00 ATOM 867 C PRO A 112 -2.944 34.014 62.068 1.00 0.00 ATOM 868 N PHE A 113 -3.094 32.732 62.076 1.00 0.00 ATOM 869 CA PHE A 113 -2.889 31.963 63.322 1.00 0.00 ATOM 870 CB PHE A 113 -3.293 30.505 63.095 1.00 0.00 ATOM 871 CG PHE A 113 -3.193 29.649 64.325 1.00 0.00 ATOM 872 CD1 PHE A 113 -4.163 29.712 65.310 1.00 0.00 ATOM 873 CD2 PHE A 113 -2.128 28.781 64.498 1.00 0.00 ATOM 874 CE1 PHE A 113 -4.071 28.926 66.443 1.00 0.00 ATOM 875 CE2 PHE A 113 -2.037 27.995 65.630 1.00 0.00 ATOM 876 CZ PHE A 113 -3.002 28.064 66.601 1.00 0.00 ATOM 877 O PHE A 113 -1.186 32.168 64.987 1.00 0.00 ATOM 878 C PHE A 113 -1.451 31.999 63.795 1.00 0.00 ATOM 879 N ILE A 114 -0.501 31.771 62.900 1.00 0.00 ATOM 880 CA ILE A 114 0.881 31.710 63.288 1.00 0.00 ATOM 881 CB ILE A 114 1.782 31.308 62.105 1.00 0.00 ATOM 882 CG1 ILE A 114 1.504 29.861 61.692 1.00 0.00 ATOM 883 CG2 ILE A 114 3.249 31.427 62.489 1.00 0.00 ATOM 884 CD1 ILE A 114 2.149 29.465 60.381 1.00 0.00 ATOM 885 O ILE A 114 2.187 33.101 64.701 1.00 0.00 ATOM 886 C ILE A 114 1.373 33.057 63.798 1.00 0.00 ATOM 887 N MET A 115 0.956 34.128 63.132 1.00 0.00 ATOM 888 CA MET A 115 1.286 35.528 63.589 1.00 0.00 ATOM 889 CB MET A 115 0.759 36.557 62.585 1.00 0.00 ATOM 890 CG MET A 115 1.512 36.577 61.264 1.00 0.00 ATOM 891 SD MET A 115 3.243 37.043 61.459 1.00 0.00 ATOM 892 CE MET A 115 3.081 38.765 61.928 1.00 0.00 ATOM 893 O MET A 115 1.278 36.276 65.903 1.00 0.00 ATOM 894 C MET A 115 0.628 35.798 64.976 1.00 0.00 ATOM 895 N SER A 116 -0.655 35.456 65.108 1.00 0.00 ATOM 896 CA SER A 116 -1.387 35.672 66.363 1.00 0.00 ATOM 897 CB SER A 116 -2.842 35.223 66.219 1.00 0.00 ATOM 898 OG SER A 116 -3.537 36.038 65.292 1.00 0.00 ATOM 899 O SER A 116 -1.001 35.228 68.688 1.00 0.00 ATOM 900 C SER A 116 -0.804 34.880 67.525 1.00 0.00 ATOM 901 N GLN A 117 -0.120 33.847 67.176 1.00 0.00 ATOM 902 CA GLN A 117 0.492 32.989 68.185 1.00 0.00 ATOM 903 CB GLN A 117 0.509 31.520 67.757 1.00 0.00 ATOM 904 CG GLN A 117 -0.871 30.910 67.581 1.00 0.00 ATOM 905 CD GLN A 117 -1.711 30.993 68.840 1.00 0.00 ATOM 906 OE1 GLN A 117 -1.247 30.658 69.931 1.00 0.00 ATOM 907 NE2 GLN A 117 -2.951 31.443 68.694 1.00 0.00 ATOM 908 O GLN A 117 2.492 32.982 69.460 1.00 0.00 ATOM 909 C GLN A 117 1.935 33.384 68.465 1.00 0.00 ATOM 910 N ASN A 118 2.562 34.143 67.573 1.00 0.00 ATOM 911 CA ASN A 118 3.953 34.506 67.733 1.00 0.00 ATOM 912 CB ASN A 118 4.176 35.191 69.083 1.00 0.00 ATOM 913 CG ASN A 118 3.449 36.517 69.190 1.00 0.00 ATOM 914 ND2 ASN A 118 3.090 36.896 70.411 1.00 0.00 ATOM 915 OD1 ASN A 118 3.217 37.191 68.188 1.00 0.00 ATOM 916 O ASN A 118 5.414 32.876 68.698 1.00 0.00 ATOM 917 C ASN A 118 4.862 33.291 67.678 1.00 0.00 ATOM 918 N GLU A 119 4.722 32.465 66.464 1.00 0.00 ATOM 919 CA GLU A 119 5.555 31.284 66.305 1.00 0.00 ATOM 920 CB GLU A 119 4.899 30.352 65.285 1.00 0.00 ATOM 921 CG GLU A 119 5.647 29.047 65.063 1.00 0.00 ATOM 922 CD GLU A 119 4.985 28.164 64.024 1.00 0.00 ATOM 923 OE1 GLU A 119 3.942 28.575 63.473 1.00 0.00 ATOM 924 OE2 GLU A 119 5.508 27.062 63.761 1.00 0.00 ATOM 925 O GLU A 119 6.927 32.687 64.914 1.00 0.00 ATOM 926 C GLU A 119 6.907 31.843 65.813 1.00 0.00 ATOM 927 N VAL A 120 8.006 31.460 66.475 1.00 0.00 ATOM 928 CA VAL A 120 9.277 32.094 66.161 1.00 0.00 ATOM 929 CB VAL A 120 10.219 32.095 67.409 1.00 0.00 ATOM 930 CG1 VAL A 120 11.530 32.785 67.142 1.00 0.00 ATOM 931 CG2 VAL A 120 9.496 32.769 68.587 1.00 0.00 ATOM 932 O VAL A 120 9.877 30.294 64.737 1.00 0.00 ATOM 933 C VAL A 120 10.035 31.475 65.012 1.00 0.00 ATOM 934 N LYS A 121 10.809 32.310 64.334 1.00 0.00 ATOM 935 CA LYS A 121 11.754 31.909 63.339 1.00 0.00 ATOM 936 CB LYS A 121 11.913 33.002 62.280 1.00 0.00 ATOM 937 CG LYS A 121 12.930 32.674 61.199 1.00 0.00 ATOM 938 CD LYS A 121 12.408 31.601 60.256 1.00 0.00 ATOM 939 CE LYS A 121 13.312 31.445 59.044 1.00 0.00 ATOM 940 NZ LYS A 121 12.855 30.345 58.150 1.00 0.00 ATOM 941 O LYS A 121 13.580 32.424 64.828 1.00 0.00 ATOM 942 C LYS A 121 13.058 31.592 64.061 1.00 0.00 ATOM 943 N GLY A 122 13.708 30.406 63.807 1.00 0.00 ATOM 944 CA GLY A 122 14.933 30.083 64.527 1.00 0.00 ATOM 945 O GLY A 122 16.181 31.512 63.083 1.00 0.00 ATOM 946 C GLY A 122 16.012 31.087 64.228 1.00 0.00 ATOM 947 N LYS A 123 16.776 31.385 65.395 1.00 0.00 ATOM 948 CA LYS A 123 17.904 32.277 65.206 1.00 0.00 ATOM 949 CB LYS A 123 18.602 31.983 63.877 1.00 0.00 ATOM 950 CG LYS A 123 19.252 30.612 63.806 1.00 0.00 ATOM 951 CD LYS A 123 19.945 30.396 62.471 1.00 0.00 ATOM 952 CE LYS A 123 20.576 29.015 62.393 1.00 0.00 ATOM 953 NZ LYS A 123 21.325 28.819 61.121 1.00 0.00 ATOM 954 O LYS A 123 18.455 34.586 65.292 1.00 0.00 ATOM 955 C LYS A 123 17.562 33.758 65.184 1.00 0.00 ATOM 956 N LYS A 124 16.278 34.111 65.049 1.00 0.00 ATOM 957 CA LYS A 124 15.907 35.525 64.859 1.00 0.00 ATOM 958 CB LYS A 124 14.530 35.631 64.201 1.00 0.00 ATOM 959 CG LYS A 124 14.457 35.020 62.811 1.00 0.00 ATOM 960 CD LYS A 124 15.321 35.789 61.824 1.00 0.00 ATOM 961 CE LYS A 124 15.196 35.219 60.420 1.00 0.00 ATOM 962 NZ LYS A 124 16.087 35.920 59.455 1.00 0.00 ATOM 963 O LYS A 124 15.159 35.837 67.124 1.00 0.00 ATOM 964 C LYS A 124 15.856 36.263 66.201 1.00 0.00 ATOM 965 N VAL A 125 16.685 37.289 66.312 1.00 0.00 ATOM 966 CA VAL A 125 16.698 38.182 67.468 1.00 0.00 ATOM 967 CB VAL A 125 18.122 38.360 68.028 1.00 0.00 ATOM 968 CG1 VAL A 125 18.116 39.331 69.199 1.00 0.00 ATOM 969 CG2 VAL A 125 18.674 37.027 68.511 1.00 0.00 ATOM 970 O VAL A 125 16.679 40.142 66.092 1.00 0.00 ATOM 971 C VAL A 125 16.162 39.543 67.030 1.00 0.00 ATOM 972 N GLY A 126 15.140 40.044 67.723 1.00 0.00 ATOM 973 CA GLY A 126 14.585 41.350 67.445 1.00 0.00 ATOM 974 O GLY A 126 16.014 42.089 69.176 1.00 0.00 ATOM 975 C GLY A 126 15.470 42.377 68.119 1.00 0.00 ATOM 976 N VAL A 127 15.620 43.551 67.511 1.00 0.00 ATOM 977 CA VAL A 127 16.385 44.634 68.147 1.00 0.00 ATOM 978 CB VAL A 127 17.845 44.656 67.659 1.00 0.00 ATOM 979 CG1 VAL A 127 18.612 45.789 68.323 1.00 0.00 ATOM 980 CG2 VAL A 127 18.538 43.344 67.996 1.00 0.00 ATOM 981 O VAL A 127 15.752 46.373 66.638 1.00 0.00 ATOM 982 C VAL A 127 15.730 45.950 67.798 1.00 0.00 ATOM 983 N VAL A 128 15.150 46.627 68.798 1.00 0.00 ATOM 984 CA VAL A 128 14.404 47.847 68.567 1.00 0.00 ATOM 985 CB VAL A 128 12.938 47.705 69.016 1.00 0.00 ATOM 986 CG1 VAL A 128 12.186 49.009 68.799 1.00 0.00 ATOM 987 CG2 VAL A 128 12.241 46.610 68.224 1.00 0.00 ATOM 988 O VAL A 128 15.112 48.887 70.601 1.00 0.00 ATOM 989 C VAL A 128 15.079 48.954 69.372 1.00 0.00 ATOM 990 N GLY A 129 15.584 49.959 68.663 1.00 0.00 ATOM 991 CA GLY A 129 16.298 51.084 69.242 1.00 0.00 ATOM 992 O GLY A 129 18.541 50.308 69.381 1.00 0.00 ATOM 993 C GLY A 129 17.743 51.036 68.812 1.00 0.00 ATOM 994 N HIS A 130 18.064 51.805 67.774 1.00 0.00 ATOM 995 CA HIS A 130 19.359 51.788 67.111 1.00 0.00 ATOM 996 CB HIS A 130 19.138 51.045 65.681 1.00 0.00 ATOM 997 CG HIS A 130 20.244 50.385 64.926 1.00 0.00 ATOM 998 CD2 HIS A 130 21.599 50.325 65.108 1.00 0.00 ATOM 999 ND1 HIS A 130 19.931 49.757 63.739 1.00 0.00 ATOM 1000 CE1 HIS A 130 21.066 49.322 63.245 1.00 0.00 ATOM 1001 NE2 HIS A 130 22.074 49.631 64.021 1.00 0.00 ATOM 1002 O HIS A 130 20.546 53.755 66.309 1.00 0.00 ATOM 1003 C HIS A 130 20.034 53.151 67.270 1.00 0.00 ATOM 1004 N PHE A 131 20.030 53.646 68.504 1.00 0.00 ATOM 1005 CA PHE A 131 20.632 54.938 68.802 1.00 0.00 ATOM 1006 CB PHE A 131 19.972 55.564 70.032 1.00 0.00 ATOM 1007 CG PHE A 131 20.301 57.019 70.221 1.00 0.00 ATOM 1008 CD1 PHE A 131 19.782 57.977 69.368 1.00 0.00 ATOM 1009 CD2 PHE A 131 21.129 57.428 71.252 1.00 0.00 ATOM 1010 CE1 PHE A 131 20.085 59.314 69.543 1.00 0.00 ATOM 1011 CE2 PHE A 131 21.430 58.764 71.427 1.00 0.00 ATOM 1012 CZ PHE A 131 20.912 59.706 70.577 1.00 0.00 ATOM 1013 O PHE A 131 22.813 53.896 68.659 1.00 0.00 ATOM 1014 C PHE A 131 22.129 54.831 69.091 1.00 0.00 ATOM 1015 N PRO A 132 25.165 50.859 67.882 1.00 0.00 ATOM 1016 CA PRO A 132 26.404 50.078 68.028 1.00 0.00 ATOM 1017 CB PRO A 132 27.328 50.995 68.832 1.00 0.00 ATOM 1018 CG PRO A 132 26.846 52.372 68.524 1.00 0.00 ATOM 1019 CD PRO A 132 25.351 52.278 68.411 1.00 0.00 ATOM 1020 O PRO A 132 27.006 47.810 68.458 1.00 0.00 ATOM 1021 C PRO A 132 26.248 48.748 68.749 1.00 0.00 ATOM 1022 N HIS A 133 25.277 48.660 69.648 1.00 0.00 ATOM 1023 CA HIS A 133 25.004 47.421 70.329 1.00 0.00 ATOM 1024 CB HIS A 133 23.939 47.626 71.409 1.00 0.00 ATOM 1025 CG HIS A 133 23.557 46.368 72.127 1.00 0.00 ATOM 1026 CD2 HIS A 133 22.408 45.477 72.117 1.00 0.00 ATOM 1027 ND1 HIS A 133 24.373 45.769 73.061 1.00 0.00 ATOM 1028 CE1 HIS A 133 23.763 44.664 73.529 1.00 0.00 ATOM 1029 NE2 HIS A 133 22.584 44.483 72.967 1.00 0.00 ATOM 1030 O HIS A 133 24.966 45.232 69.320 1.00 0.00 ATOM 1031 C HIS A 133 24.492 46.365 69.327 1.00 0.00 ATOM 1032 N LEU A 134 23.541 46.765 68.496 1.00 0.00 ATOM 1033 CA LEU A 134 22.988 45.867 67.477 1.00 0.00 ATOM 1034 CB LEU A 134 21.908 46.581 66.662 1.00 0.00 ATOM 1035 CG LEU A 134 21.229 45.757 65.568 1.00 0.00 ATOM 1036 CD1 LEU A 134 20.514 44.554 66.165 1.00 0.00 ATOM 1037 CD2 LEU A 134 20.203 46.596 64.820 1.00 0.00 ATOM 1038 O LEU A 134 24.124 44.217 66.150 1.00 0.00 ATOM 1039 C LEU A 134 24.088 45.403 66.518 1.00 0.00 ATOM 1040 N GLU A 135 25.007 46.302 66.164 1.00 0.00 ATOM 1041 CA GLU A 135 26.103 45.951 65.264 1.00 0.00 ATOM 1042 CB GLU A 135 26.910 47.197 64.891 1.00 0.00 ATOM 1043 CG GLU A 135 26.171 48.165 63.981 1.00 0.00 ATOM 1044 CD GLU A 135 26.964 49.427 63.709 1.00 0.00 ATOM 1045 OE1 GLU A 135 28.066 49.573 64.281 1.00 0.00 ATOM 1046 OE2 GLU A 135 26.486 50.272 62.923 1.00 0.00 ATOM 1047 O GLU A 135 27.552 44.039 65.240 1.00 0.00 ATOM 1048 C GLU A 135 27.059 44.948 65.907 1.00 0.00 ATOM 1049 N SER A 136 27.274 45.040 67.221 1.00 0.00 ATOM 1050 CA SER A 136 28.052 44.028 67.901 1.00 0.00 ATOM 1051 CB SER A 136 28.276 44.417 69.363 1.00 0.00 ATOM 1052 OG SER A 136 29.071 45.585 69.464 1.00 0.00 ATOM 1053 O SER A 136 28.031 41.624 67.790 1.00 0.00 ATOM 1054 C SER A 136 27.356 42.657 67.890 1.00 0.00 ATOM 1055 N LEU A 137 26.027 42.594 67.984 1.00 0.00 ATOM 1056 CA LEU A 137 25.347 41.317 67.922 1.00 0.00 ATOM 1057 CB LEU A 137 23.853 41.529 68.178 1.00 0.00 ATOM 1058 CG LEU A 137 23.458 41.914 69.605 1.00 0.00 ATOM 1059 CD1 LEU A 137 21.981 42.266 69.676 1.00 0.00 ATOM 1060 CD2 LEU A 137 23.720 40.764 70.565 1.00 0.00 ATOM 1061 O LEU A 137 25.738 39.518 66.397 1.00 0.00 ATOM 1062 C LEU A 137 25.534 40.724 66.529 1.00 0.00 ATOM 1063 N LEU A 138 25.482 41.565 65.507 1.00 0.00 ATOM 1064 CA LEU A 138 25.664 41.089 64.124 1.00 0.00 ATOM 1065 CB LEU A 138 25.486 42.240 63.133 1.00 0.00 ATOM 1066 CG LEU A 138 24.067 42.794 62.984 1.00 0.00 ATOM 1067 CD1 LEU A 138 24.065 44.041 62.113 1.00 0.00 ATOM 1068 CD2 LEU A 138 23.153 41.763 62.340 1.00 0.00 ATOM 1069 O LEU A 138 27.209 39.461 63.310 1.00 0.00 ATOM 1070 C LEU A 138 27.059 40.506 63.935 1.00 0.00 ATOM 1071 N GLU A 139 28.070 41.184 64.477 1.00 0.00 ATOM 1072 CA GLU A 139 29.449 40.712 64.439 1.00 0.00 ATOM 1073 CB GLU A 139 30.387 41.747 65.061 1.00 0.00 ATOM 1074 CG GLU A 139 30.571 43.000 64.222 1.00 0.00 ATOM 1075 CD GLU A 139 31.432 44.042 64.911 1.00 0.00 ATOM 1076 OE1 GLU A 139 31.825 43.811 66.073 1.00 0.00 ATOM 1077 OE2 GLU A 139 31.712 45.088 64.289 1.00 0.00 ATOM 1078 O GLU A 139 30.519 38.625 64.834 1.00 0.00 ATOM 1079 C GLU A 139 29.656 39.418 65.195 1.00 0.00 ATOM 1080 N PRO A 140 28.879 39.200 66.248 1.00 0.00 ATOM 1081 CA PRO A 140 28.941 37.963 67.010 1.00 0.00 ATOM 1082 CB PRO A 140 28.789 38.490 68.483 1.00 0.00 ATOM 1083 CG PRO A 140 28.051 39.794 68.341 1.00 0.00 ATOM 1084 CD PRO A 140 28.632 40.377 67.057 1.00 0.00 ATOM 1085 O PRO A 140 28.169 35.701 66.860 1.00 0.00 ATOM 1086 C PRO A 140 28.192 36.806 66.329 1.00 0.00 ATOM 1087 N ILE A 141 27.523 37.080 65.214 1.00 0.00 ATOM 1088 CA ILE A 141 26.867 36.043 64.415 1.00 0.00 ATOM 1089 CB ILE A 141 27.446 34.649 64.712 1.00 0.00 ATOM 1090 CG1 ILE A 141 27.201 34.268 66.175 1.00 0.00 ATOM 1091 CG2 ILE A 141 28.945 34.628 64.454 1.00 0.00 ATOM 1092 CD1 ILE A 141 27.553 32.833 66.499 1.00 0.00 ATOM 1093 O ILE A 141 24.771 34.929 64.107 1.00 0.00 ATOM 1094 C ILE A 141 25.367 35.885 64.618 1.00 0.00 ATOM 1095 N CYS A 142 24.741 36.789 65.373 1.00 0.00 ATOM 1096 CA CYS A 142 23.292 36.737 65.563 1.00 0.00 ATOM 1097 CB CYS A 142 22.884 37.556 66.790 1.00 0.00 ATOM 1098 SG CYS A 142 21.132 37.432 67.219 1.00 0.00 ATOM 1099 O CYS A 142 23.048 38.227 63.704 1.00 0.00 ATOM 1100 C CYS A 142 22.566 37.300 64.355 1.00 0.00 ATOM 1101 N ASP A 143 21.406 36.729 64.046 1.00 0.00 ATOM 1102 CA ASP A 143 20.538 37.263 63.005 1.00 0.00 ATOM 1103 CB ASP A 143 19.808 36.129 62.282 1.00 0.00 ATOM 1104 CG ASP A 143 18.948 36.628 61.137 1.00 0.00 ATOM 1105 OD1 ASP A 143 18.837 37.860 60.970 1.00 0.00 ATOM 1106 OD2 ASP A 143 18.384 35.786 60.407 1.00 0.00 ATOM 1107 O ASP A 143 18.571 37.755 64.313 1.00 0.00 ATOM 1108 C ASP A 143 19.496 38.200 63.638 1.00 0.00 ATOM 1109 N LEU A 144 19.779 39.437 63.483 1.00 0.00 ATOM 1110 CA LEU A 144 18.922 40.438 64.120 1.00 0.00 ATOM 1111 CB LEU A 144 19.781 41.579 64.674 1.00 0.00 ATOM 1112 CG LEU A 144 20.812 41.197 65.736 1.00 0.00 ATOM 1113 CD1 LEU A 144 21.678 42.393 66.099 1.00 0.00 ATOM 1114 CD2 LEU A 144 20.124 40.707 67.001 1.00 0.00 ATOM 1115 O LEU A 144 18.402 41.234 61.906 1.00 0.00 ATOM 1116 C LEU A 144 17.969 40.961 63.042 1.00 0.00 ATOM 1117 N SER A 145 16.685 41.082 63.389 1.00 0.00 ATOM 1118 CA SER A 145 15.677 41.575 62.483 1.00 0.00 ATOM 1119 CB SER A 145 14.479 40.624 62.446 1.00 0.00 ATOM 1120 OG SER A 145 14.868 39.328 62.028 1.00 0.00 ATOM 1121 O SER A 145 14.465 43.030 63.931 1.00 0.00 ATOM 1122 C SER A 145 15.240 42.943 62.988 1.00 0.00 ATOM 1123 N ILE A 146 16.168 44.263 62.731 1.00 0.00 ATOM 1124 CA ILE A 146 16.262 45.509 63.486 1.00 0.00 ATOM 1125 CB ILE A 146 17.594 46.233 63.217 1.00 0.00 ATOM 1126 CG1 ILE A 146 17.704 46.615 61.740 1.00 0.00 ATOM 1127 CG2 ILE A 146 18.770 45.335 63.572 1.00 0.00 ATOM 1128 CD1 ILE A 146 18.899 47.486 61.422 1.00 0.00 ATOM 1129 O ILE A 146 14.594 46.531 62.074 1.00 0.00 ATOM 1130 C ILE A 146 15.188 46.524 63.162 1.00 0.00 ATOM 1131 N LEU A 147 14.898 47.381 64.144 1.00 0.00 ATOM 1132 CA LEU A 147 14.040 48.527 63.936 1.00 0.00 ATOM 1133 CB LEU A 147 12.611 48.184 64.321 1.00 0.00 ATOM 1134 CG LEU A 147 11.599 49.330 64.228 1.00 0.00 ATOM 1135 CD1 LEU A 147 11.738 50.135 62.923 1.00 0.00 ATOM 1136 CD2 LEU A 147 10.214 48.755 64.363 1.00 0.00 ATOM 1137 O LEU A 147 14.463 49.510 66.045 1.00 0.00 ATOM 1138 C LEU A 147 14.286 49.694 64.866 1.00 0.00 ATOM 1139 N GLU A 148 14.222 50.902 64.308 1.00 0.00 ATOM 1140 CA GLU A 148 14.287 52.127 65.093 1.00 0.00 ATOM 1141 CB GLU A 148 15.715 52.642 64.905 1.00 0.00 ATOM 1142 CG GLU A 148 16.017 53.926 65.662 1.00 0.00 ATOM 1143 CD GLU A 148 17.449 54.390 65.476 1.00 0.00 ATOM 1144 OE1 GLU A 148 18.187 53.740 64.705 1.00 0.00 ATOM 1145 OE2 GLU A 148 17.832 55.402 66.098 1.00 0.00 ATOM 1146 O GLU A 148 13.324 53.206 63.162 1.00 0.00 ATOM 1147 C GLU A 148 13.469 53.212 64.397 1.00 0.00 ATOM 1148 N TRP A 149 12.997 54.182 65.288 1.00 0.00 ATOM 1149 CA TRP A 149 12.132 55.260 64.816 1.00 0.00 ATOM 1150 CB TRP A 149 11.835 56.248 65.945 1.00 0.00 ATOM 1151 CG TRP A 149 10.700 57.178 65.644 1.00 0.00 ATOM 1152 CD1 TRP A 149 10.775 58.528 65.447 1.00 0.00 ATOM 1153 CD2 TRP A 149 9.318 56.828 65.505 1.00 0.00 ATOM 1154 CE2 TRP A 149 8.613 58.016 65.225 1.00 0.00 ATOM 1155 CE3 TRP A 149 8.606 55.628 65.591 1.00 0.00 ATOM 1156 NE1 TRP A 149 9.526 59.041 65.194 1.00 0.00 ATOM 1157 CZ2 TRP A 149 7.233 58.038 65.029 1.00 0.00 ATOM 1158 CZ3 TRP A 149 7.238 55.655 65.396 1.00 0.00 ATOM 1159 CH2 TRP A 149 6.564 56.848 65.119 1.00 0.00 ATOM 1160 O TRP A 149 12.038 56.704 62.920 1.00 0.00 ATOM 1161 C TRP A 149 12.759 56.058 63.666 1.00 0.00 ATOM 1162 N SER A 150 14.078 56.012 63.541 1.00 0.00 ATOM 1163 CA SER A 150 14.804 56.728 62.482 1.00 0.00 ATOM 1164 CB SER A 150 16.100 57.324 63.032 1.00 0.00 ATOM 1165 OG SER A 150 16.834 57.978 62.012 1.00 0.00 ATOM 1166 O SER A 150 16.042 54.919 61.485 1.00 0.00 ATOM 1167 C SER A 150 15.154 55.763 61.334 1.00 0.00 ATOM 1168 N PRO A 151 14.512 55.892 60.171 1.00 0.00 ATOM 1169 CA PRO A 151 14.838 55.005 59.039 1.00 0.00 ATOM 1170 CB PRO A 151 13.962 55.523 57.898 1.00 0.00 ATOM 1171 CG PRO A 151 12.801 56.164 58.580 1.00 0.00 ATOM 1172 CD PRO A 151 13.352 56.814 59.817 1.00 0.00 ATOM 1173 O PRO A 151 16.817 54.047 58.148 1.00 0.00 ATOM 1174 C PRO A 151 16.308 55.040 58.634 1.00 0.00 ATOM 1175 N GLU A 152 17.002 56.164 58.813 1.00 0.00 ATOM 1176 CA GLU A 152 18.378 56.241 58.506 1.00 0.00 ATOM 1177 CB GLU A 152 18.862 57.749 58.644 1.00 0.00 ATOM 1178 CG GLU A 152 20.299 57.981 58.197 1.00 0.00 ATOM 1179 CD GLU A 152 20.790 59.377 58.455 1.00 0.00 ATOM 1180 OE1 GLU A 152 20.217 60.128 59.273 1.00 0.00 ATOM 1181 OE2 GLU A 152 21.867 59.711 57.914 1.00 0.00 ATOM 1182 O GLU A 152 20.219 54.832 58.825 1.00 0.00 ATOM 1183 C GLU A 152 19.217 55.277 59.305 1.00 0.00 ATOM 1184 N GLU A 153 18.840 54.864 60.584 1.00 0.00 ATOM 1185 CA GLU A 153 19.660 53.979 61.361 1.00 0.00 ATOM 1186 CB GLU A 153 19.790 54.696 62.781 1.00 0.00 ATOM 1187 CG GLU A 153 21.070 54.295 63.513 1.00 0.00 ATOM 1188 CD GLU A 153 21.375 55.250 64.647 1.00 0.00 ATOM 1189 OE1 GLU A 153 20.496 56.054 65.024 1.00 0.00 ATOM 1190 OE2 GLU A 153 22.521 55.200 65.152 1.00 0.00 ATOM 1191 O GLU A 153 20.052 51.628 61.577 1.00 0.00 ATOM 1192 C GLU A 153 19.270 52.515 61.216 1.00 0.00 ATOM 1193 N GLY A 154 18.076 52.262 60.617 1.00 0.00 ATOM 1194 CA GLY A 154 17.588 50.898 60.527 1.00 0.00 ATOM 1195 O GLY A 154 16.529 51.204 58.408 1.00 0.00 ATOM 1196 C GLY A 154 17.239 50.491 59.110 1.00 0.00 ATOM 1197 N ASP A 155 17.770 49.361 58.667 1.00 0.00 ATOM 1198 CA ASP A 155 17.493 48.870 57.325 1.00 0.00 ATOM 1199 CB ASP A 155 18.523 47.851 56.896 1.00 0.00 ATOM 1200 CG ASP A 155 19.875 48.487 56.593 1.00 0.00 ATOM 1201 OD1 ASP A 155 19.961 49.710 56.341 1.00 0.00 ATOM 1202 OD2 ASP A 155 20.932 47.818 56.588 1.00 0.00 ATOM 1203 O ASP A 155 15.769 47.666 58.517 1.00 0.00 ATOM 1204 C ASP A 155 16.219 48.028 57.439 1.00 0.00 ATOM 1205 N TYR A 156 15.605 47.807 56.239 1.00 0.00 ATOM 1206 CA TYR A 156 14.363 47.037 56.226 1.00 0.00 ATOM 1207 CB TYR A 156 13.919 47.344 54.554 1.00 0.00 ATOM 1208 CG TYR A 156 12.439 47.425 54.187 1.00 0.00 ATOM 1209 CD1 TYR A 156 11.630 46.299 54.136 1.00 0.00 ATOM 1210 CD2 TYR A 156 11.882 48.634 53.809 1.00 0.00 ATOM 1211 CE1 TYR A 156 10.288 46.436 53.837 1.00 0.00 ATOM 1212 CE2 TYR A 156 10.543 48.756 53.480 1.00 0.00 ATOM 1213 CZ TYR A 156 9.731 47.652 53.486 1.00 0.00 ATOM 1214 OH TYR A 156 8.399 47.714 53.104 1.00 0.00 ATOM 1215 O TYR A 156 13.792 44.719 56.451 1.00 0.00 ATOM 1216 C TYR A 156 14.050 45.779 57.022 1.00 0.00 ATOM 1217 N PRO A 157 13.957 45.789 58.534 1.00 0.00 ATOM 1218 CA PRO A 157 13.700 44.681 59.458 1.00 0.00 ATOM 1219 CB PRO A 157 14.282 45.200 60.767 1.00 0.00 ATOM 1220 CG PRO A 157 13.923 46.654 60.706 1.00 0.00 ATOM 1221 CD PRO A 157 14.284 47.021 59.277 1.00 0.00 ATOM 1222 O PRO A 157 11.902 43.431 58.460 1.00 0.00 ATOM 1223 C PRO A 157 12.226 44.307 59.266 1.00 0.00 ATOM 1224 N LEU A 158 11.351 44.910 60.060 1.00 0.00 ATOM 1225 CA LEU A 158 9.904 44.789 59.887 1.00 0.00 ATOM 1226 CB LEU A 158 9.344 43.801 60.892 1.00 0.00 ATOM 1227 CG LEU A 158 9.952 42.414 60.661 1.00 0.00 ATOM 1228 CD1 LEU A 158 9.486 41.450 61.748 1.00 0.00 ATOM 1229 CD2 LEU A 158 9.555 41.886 59.263 1.00 0.00 ATOM 1230 O LEU A 158 9.800 46.941 60.971 1.00 0.00 ATOM 1231 C LEU A 158 9.250 46.150 60.204 1.00 0.00 ATOM 1232 N PRO A 159 8.090 46.361 59.712 1.00 0.00 ATOM 1233 CA PRO A 159 7.364 47.615 59.917 1.00 0.00 ATOM 1234 CB PRO A 159 6.376 47.484 58.584 1.00 0.00 ATOM 1235 CG PRO A 159 7.008 46.400 57.772 1.00 0.00 ATOM 1236 CD PRO A 159 7.687 45.481 58.756 1.00 0.00 ATOM 1237 O PRO A 159 6.419 49.128 61.521 1.00 0.00 ATOM 1238 C PRO A 159 6.784 47.969 61.287 1.00 0.00 ATOM 1239 N ALA A 160 6.639 46.980 62.169 1.00 0.00 ATOM 1240 CA ALA A 160 6.089 47.229 63.510 1.00 0.00 ATOM 1241 CB ALA A 160 4.593 46.955 63.529 1.00 0.00 ATOM 1242 O ALA A 160 7.291 45.284 64.183 1.00 0.00 ATOM 1243 C ALA A 160 6.736 46.327 64.523 1.00 0.00 ATOM 1244 N SER A 161 6.657 46.744 65.778 1.00 0.00 ATOM 1245 CA SER A 161 7.096 45.907 66.890 1.00 0.00 ATOM 1246 CB SER A 161 6.889 46.630 68.223 1.00 0.00 ATOM 1247 OG SER A 161 7.719 47.774 68.316 1.00 0.00 ATOM 1248 O SER A 161 6.864 43.559 67.302 1.00 0.00 ATOM 1249 C SER A 161 6.313 44.592 66.947 1.00 0.00 ATOM 1250 N GLU A 162 5.034 44.645 66.598 1.00 0.00 ATOM 1251 CA GLU A 162 4.193 43.458 66.547 1.00 0.00 ATOM 1252 CB GLU A 162 2.778 43.823 66.096 1.00 0.00 ATOM 1253 CG GLU A 162 1.817 42.647 66.049 1.00 0.00 ATOM 1254 CD GLU A 162 0.417 43.053 65.631 1.00 0.00 ATOM 1255 OE1 GLU A 162 0.196 44.258 65.391 1.00 0.00 ATOM 1256 OE2 GLU A 162 -0.457 42.165 65.545 1.00 0.00 ATOM 1257 O GLU A 162 4.876 41.260 65.870 1.00 0.00 ATOM 1258 C GLU A 162 4.768 42.440 65.557 1.00 0.00 ATOM 1259 N PHE A 163 5.156 42.910 64.374 1.00 0.00 ATOM 1260 CA PHE A 163 5.729 42.023 63.359 1.00 0.00 ATOM 1261 CB PHE A 163 5.475 42.936 61.993 1.00 0.00 ATOM 1262 CG PHE A 163 5.543 42.233 60.665 1.00 0.00 ATOM 1263 CD1 PHE A 163 4.615 42.528 59.692 1.00 0.00 ATOM 1264 CD2 PHE A 163 6.507 41.307 60.337 1.00 0.00 ATOM 1265 CE1 PHE A 163 4.666 41.945 58.439 1.00 0.00 ATOM 1266 CE2 PHE A 163 6.553 40.698 59.107 1.00 0.00 ATOM 1267 CZ PHE A 163 5.639 41.046 58.153 1.00 0.00 ATOM 1268 O PHE A 163 7.341 40.225 63.625 1.00 0.00 ATOM 1269 C PHE A 163 7.053 41.421 63.859 1.00 0.00 ATOM 1270 N ILE A 164 7.856 42.241 64.496 1.00 0.00 ATOM 1271 CA ILE A 164 9.133 41.759 65.007 1.00 0.00 ATOM 1272 CB ILE A 164 9.943 42.911 65.626 1.00 0.00 ATOM 1273 CG1 ILE A 164 10.379 43.876 64.523 1.00 0.00 ATOM 1274 CG2 ILE A 164 11.174 42.358 66.357 1.00 0.00 ATOM 1275 CD1 ILE A 164 11.008 45.162 65.049 1.00 0.00 ATOM 1276 O ILE A 164 9.596 39.638 66.013 1.00 0.00 ATOM 1277 C ILE A 164 8.899 40.658 66.081 1.00 0.00 ATOM 1278 N LEU A 165 7.979 40.785 67.246 1.00 0.00 ATOM 1279 CA LEU A 165 7.696 39.835 68.374 1.00 0.00 ATOM 1280 CB LEU A 165 6.663 40.415 69.344 1.00 0.00 ATOM 1281 CG LEU A 165 6.285 39.534 70.536 1.00 0.00 ATOM 1282 CD1 LEU A 165 7.507 39.228 71.389 1.00 0.00 ATOM 1283 CD2 LEU A 165 5.256 40.231 71.413 1.00 0.00 ATOM 1284 O LEU A 165 7.240 37.487 68.266 1.00 0.00 ATOM 1285 C LEU A 165 7.086 38.579 67.738 1.00 0.00 ATOM 1286 N PRO A 166 6.400 38.737 66.619 1.00 0.00 ATOM 1287 CA PRO A 166 5.847 37.586 65.885 1.00 0.00 ATOM 1288 CB PRO A 166 4.970 38.280 64.818 1.00 0.00 ATOM 1289 CG PRO A 166 4.489 39.510 65.543 1.00 0.00 ATOM 1290 CD PRO A 166 5.766 39.985 66.230 1.00 0.00 ATOM 1291 O PRO A 166 6.724 35.450 65.180 1.00 0.00 ATOM 1292 C PRO A 166 6.938 36.660 65.342 1.00 0.00 ATOM 1293 N GLU A 167 8.109 37.221 65.065 1.00 0.00 ATOM 1294 CA GLU A 167 9.218 36.511 64.447 1.00 0.00 ATOM 1295 CB GLU A 167 9.891 37.385 63.387 1.00 0.00 ATOM 1296 CG GLU A 167 8.994 37.737 62.212 1.00 0.00 ATOM 1297 CD GLU A 167 8.463 36.510 61.496 1.00 0.00 ATOM 1298 OE1 GLU A 167 9.277 35.632 61.139 1.00 0.00 ATOM 1299 OE2 GLU A 167 7.233 36.427 61.294 1.00 0.00 ATOM 1300 O GLU A 167 11.136 35.214 65.028 1.00 0.00 ATOM 1301 C GLU A 167 10.329 36.062 65.397 1.00 0.00 ATOM 1302 N CYS A 168 10.400 36.642 66.596 1.00 0.00 ATOM 1303 CA CYS A 168 11.549 36.435 67.484 1.00 0.00 ATOM 1304 CB CYS A 168 12.275 37.761 67.720 1.00 0.00 ATOM 1305 SG CYS A 168 12.965 38.510 66.226 1.00 0.00 ATOM 1306 O CYS A 168 10.149 36.390 69.395 1.00 0.00 ATOM 1307 C CYS A 168 11.109 35.889 68.830 1.00 0.00 ATOM 1308 N ASP A 169 11.812 34.891 69.347 1.00 0.00 ATOM 1309 CA ASP A 169 11.473 34.298 70.649 1.00 0.00 ATOM 1310 CB ASP A 169 11.938 32.861 70.788 1.00 0.00 ATOM 1311 CG ASP A 169 13.229 32.493 70.113 1.00 0.00 ATOM 1312 OD1 ASP A 169 13.812 33.254 69.316 1.00 0.00 ATOM 1313 OD2 ASP A 169 13.732 31.342 70.287 1.00 0.00 ATOM 1314 O ASP A 169 11.670 34.901 72.950 1.00 0.00 ATOM 1315 C ASP A 169 12.037 35.119 71.799 1.00 0.00 ATOM 1316 N TYR A 170 13.002 35.980 71.037 1.00 0.00 ATOM 1317 CA TYR A 170 13.541 36.915 72.037 1.00 0.00 ATOM 1318 CB TYR A 170 14.951 36.512 72.421 1.00 0.00 ATOM 1319 CG TYR A 170 15.120 35.044 72.695 1.00 0.00 ATOM 1320 CD1 TYR A 170 16.019 34.272 71.989 1.00 0.00 ATOM 1321 CD2 TYR A 170 14.361 34.417 73.678 1.00 0.00 ATOM 1322 CE1 TYR A 170 16.186 32.905 72.236 1.00 0.00 ATOM 1323 CE2 TYR A 170 14.486 33.039 73.887 1.00 0.00 ATOM 1324 CZ TYR A 170 15.422 32.327 73.209 1.00 0.00 ATOM 1325 OH TYR A 170 15.592 30.962 73.388 1.00 0.00 ATOM 1326 O TYR A 170 14.152 38.359 70.208 1.00 0.00 ATOM 1327 C TYR A 170 13.730 38.272 71.370 1.00 0.00 ATOM 1328 N VAL A 171 13.392 39.343 72.123 1.00 0.00 ATOM 1329 CA VAL A 171 13.466 40.688 71.569 1.00 0.00 ATOM 1330 CB VAL A 171 12.074 41.342 71.491 1.00 0.00 ATOM 1331 CG1 VAL A 171 12.183 42.761 70.952 1.00 0.00 ATOM 1332 CG2 VAL A 171 11.162 40.547 70.571 1.00 0.00 ATOM 1333 O VAL A 171 14.351 41.299 73.697 1.00 0.00 ATOM 1334 C VAL A 171 14.393 41.473 72.464 1.00 0.00 ATOM 1335 N TYR A 172 15.306 42.237 71.875 1.00 0.00 ATOM 1336 CA TYR A 172 16.155 43.161 72.635 1.00 0.00 ATOM 1337 CB TYR A 172 17.614 43.099 72.180 1.00 0.00 ATOM 1338 CG TYR A 172 18.500 44.144 72.820 1.00 0.00 ATOM 1339 CD1 TYR A 172 18.983 43.974 74.110 1.00 0.00 ATOM 1340 CD2 TYR A 172 18.850 45.298 72.130 1.00 0.00 ATOM 1341 CE1 TYR A 172 19.793 44.924 74.703 1.00 0.00 ATOM 1342 CE2 TYR A 172 19.658 46.259 72.706 1.00 0.00 ATOM 1343 CZ TYR A 172 20.129 46.063 74.005 1.00 0.00 ATOM 1344 OH TYR A 172 20.936 47.010 74.592 1.00 0.00 ATOM 1345 O TYR A 172 15.336 44.911 71.217 1.00 0.00 ATOM 1346 C TYR A 172 15.619 44.566 72.361 1.00 0.00 ATOM 1347 N ILE A 173 15.501 45.406 73.402 1.00 0.00 ATOM 1348 CA ILE A 173 15.233 46.815 73.233 1.00 0.00 ATOM 1349 CB ILE A 173 14.037 47.270 74.089 1.00 0.00 ATOM 1350 CG1 ILE A 173 12.767 46.529 73.665 1.00 0.00 ATOM 1351 CG2 ILE A 173 13.802 48.763 73.926 1.00 0.00 ATOM 1352 CD1 ILE A 173 11.599 46.734 74.606 1.00 0.00 ATOM 1353 O ILE A 173 17.087 47.273 74.640 1.00 0.00 ATOM 1354 C ILE A 173 16.438 47.614 73.644 1.00 0.00 ATOM 1355 N THR A 174 16.736 48.650 72.880 1.00 0.00 ATOM 1356 CA THR A 174 17.773 49.636 73.192 1.00 0.00 ATOM 1357 CB THR A 174 18.878 49.653 72.118 1.00 0.00 ATOM 1358 CG2 THR A 174 19.938 50.686 72.463 1.00 0.00 ATOM 1359 OG1 THR A 174 19.494 48.362 72.044 1.00 0.00 ATOM 1360 O THR A 174 16.531 51.461 72.282 1.00 0.00 ATOM 1361 C THR A 174 17.112 50.997 73.253 1.00 0.00 ATOM 1362 N CYS A 175 17.198 51.656 74.397 1.00 0.00 ATOM 1363 CA CYS A 175 16.395 52.829 74.656 1.00 0.00 ATOM 1364 CB CYS A 175 15.426 52.570 75.812 1.00 0.00 ATOM 1365 SG CYS A 175 14.224 51.257 75.500 1.00 0.00 ATOM 1366 O CYS A 175 18.044 54.039 75.970 1.00 0.00 ATOM 1367 C CYS A 175 17.237 54.077 75.039 1.00 0.00 ATOM 1368 N ALA A 176 16.941 55.213 74.389 1.00 0.00 ATOM 1369 CA ALA A 176 17.401 56.528 74.852 1.00 0.00 ATOM 1370 CB ALA A 176 18.197 57.199 73.742 1.00 0.00 ATOM 1371 O ALA A 176 15.107 57.265 74.902 1.00 0.00 ATOM 1372 C ALA A 176 16.253 57.434 75.315 1.00 0.00 ATOM 1373 N SER A 177 16.647 58.394 76.140 1.00 0.00 ATOM 1374 CA SER A 177 15.733 59.473 76.539 1.00 0.00 ATOM 1375 CB SER A 177 16.424 60.409 77.523 1.00 0.00 ATOM 1376 OG SER A 177 17.482 61.098 76.879 1.00 0.00 ATOM 1377 O SER A 177 14.190 60.912 75.405 1.00 0.00 ATOM 1378 C SER A 177 15.261 60.256 75.321 1.00 0.00 ATOM 1379 N VAL A 178 15.962 60.218 74.213 1.00 0.00 ATOM 1380 CA VAL A 178 15.520 60.905 73.016 1.00 0.00 ATOM 1381 CB VAL A 178 16.601 60.931 71.885 1.00 0.00 ATOM 1382 CG1 VAL A 178 17.822 61.657 72.332 1.00 0.00 ATOM 1383 CG2 VAL A 178 17.005 59.509 71.426 1.00 0.00 ATOM 1384 O VAL A 178 13.614 61.015 71.594 1.00 0.00 ATOM 1385 C VAL A 178 14.237 60.326 72.440 1.00 0.00 ATOM 1386 N VAL A 179 13.840 59.116 72.839 1.00 0.00 ATOM 1387 CA VAL A 179 12.553 58.553 72.385 1.00 0.00 ATOM 1388 CB VAL A 179 12.651 57.077 72.139 1.00 0.00 ATOM 1389 CG1 VAL A 179 11.388 56.517 71.524 1.00 0.00 ATOM 1390 CG2 VAL A 179 13.849 56.748 71.209 1.00 0.00 ATOM 1391 O VAL A 179 11.374 58.202 74.445 1.00 0.00 ATOM 1392 C VAL A 179 11.531 58.914 73.477 1.00 0.00 ATOM 1393 N ASP A 180 11.083 56.046 74.158 1.00 0.00 ATOM 1394 CA ASP A 180 9.914 56.045 75.037 1.00 0.00 ATOM 1395 CB ASP A 180 9.653 57.355 75.705 1.00 0.00 ATOM 1396 CG ASP A 180 10.677 57.651 76.783 1.00 0.00 ATOM 1397 OD1 ASP A 180 11.267 56.697 77.329 1.00 0.00 ATOM 1398 OD2 ASP A 180 10.874 58.843 77.102 1.00 0.00 ATOM 1399 O ASP A 180 7.870 54.841 74.598 1.00 0.00 ATOM 1400 C ASP A 180 8.677 55.684 74.203 1.00 0.00 ATOM 1401 N LYS A 181 8.496 56.351 73.070 1.00 0.00 ATOM 1402 CA LYS A 181 7.313 56.119 72.267 1.00 0.00 ATOM 1403 CB LYS A 181 7.259 56.913 71.044 1.00 0.00 ATOM 1404 CG LYS A 181 7.104 58.395 71.394 1.00 0.00 ATOM 1405 CD LYS A 181 7.049 59.296 70.174 1.00 0.00 ATOM 1406 CE LYS A 181 7.314 60.741 70.573 1.00 0.00 ATOM 1407 NZ LYS A 181 7.736 61.588 69.418 1.00 0.00 ATOM 1408 O LYS A 181 6.207 54.015 71.791 1.00 0.00 ATOM 1409 C LYS A 181 7.280 54.672 71.793 1.00 0.00 ATOM 1410 N THR A 182 8.421 54.144 71.391 1.00 0.00 ATOM 1411 CA THR A 182 8.507 52.783 70.878 1.00 0.00 ATOM 1412 CB THR A 182 9.941 52.470 70.407 1.00 0.00 ATOM 1413 CG2 THR A 182 10.048 51.021 69.957 1.00 0.00 ATOM 1414 OG1 THR A 182 10.282 53.323 69.308 1.00 0.00 ATOM 1415 O THR A 182 7.350 50.858 71.777 1.00 0.00 ATOM 1416 C THR A 182 8.162 51.781 71.967 1.00 0.00 ATOM 1417 N LEU A 183 8.736 51.954 73.155 1.00 0.00 ATOM 1418 CA LEU A 183 8.443 51.037 74.245 1.00 0.00 ATOM 1419 CB LEU A 183 9.295 51.346 75.459 1.00 0.00 ATOM 1420 CG LEU A 183 10.801 51.122 75.329 1.00 0.00 ATOM 1421 CD1 LEU A 183 11.499 51.636 76.577 1.00 0.00 ATOM 1422 CD2 LEU A 183 11.083 49.646 75.127 1.00 0.00 ATOM 1423 O LEU A 183 6.371 50.035 74.898 1.00 0.00 ATOM 1424 C LEU A 183 6.981 51.080 74.655 1.00 0.00 ATOM 1425 N PRO A 184 6.423 52.281 74.761 1.00 0.00 ATOM 1426 CA PRO A 184 5.003 52.375 75.132 1.00 0.00 ATOM 1427 CB PRO A 184 4.686 53.868 75.009 1.00 0.00 ATOM 1428 CG PRO A 184 5.981 54.549 75.299 1.00 0.00 ATOM 1429 CD PRO A 184 7.046 53.712 74.647 1.00 0.00 ATOM 1430 O PRO A 184 3.155 50.904 74.718 1.00 0.00 ATOM 1431 C PRO A 184 4.091 51.557 74.225 1.00 0.00 ATOM 1432 N ARG A 185 4.367 51.554 72.926 1.00 0.00 ATOM 1433 CA ARG A 185 3.544 50.780 71.996 1.00 0.00 ATOM 1434 CB ARG A 185 3.937 51.087 70.550 1.00 0.00 ATOM 1435 CG ARG A 185 3.533 52.474 70.076 1.00 0.00 ATOM 1436 CD ARG A 185 4.023 52.740 68.662 1.00 0.00 ATOM 1437 NE ARG A 185 3.647 54.072 68.195 1.00 0.00 ATOM 1438 CZ ARG A 185 4.015 54.584 67.025 1.00 0.00 ATOM 1439 NH1 ARG A 185 3.626 55.804 66.684 1.00 0.00 ATOM 1440 NH2 ARG A 185 4.773 53.876 66.201 1.00 0.00 ATOM 1441 O ARG A 185 2.736 48.538 72.252 1.00 0.00 ATOM 1442 C ARG A 185 3.723 49.276 72.236 1.00 0.00 ATOM 1443 N LEU A 186 4.958 48.830 72.401 1.00 0.00 ATOM 1444 CA LEU A 186 5.207 47.370 72.639 1.00 0.00 ATOM 1445 CB LEU A 186 6.708 47.093 72.753 1.00 0.00 ATOM 1446 CG LEU A 186 7.113 45.636 72.980 1.00 0.00 ATOM 1447 CD1 LEU A 186 6.660 44.763 71.820 1.00 0.00 ATOM 1448 CD2 LEU A 186 8.625 45.512 73.105 1.00 0.00 ATOM 1449 O LEU A 186 3.821 45.881 73.923 1.00 0.00 ATOM 1450 C LEU A 186 4.474 46.925 73.901 1.00 0.00 ATOM 1451 N LEU A 187 4.475 47.733 75.017 1.00 0.00 ATOM 1452 CA LEU A 187 3.783 47.448 76.273 1.00 0.00 ATOM 1453 CB LEU A 187 4.101 48.435 77.362 1.00 0.00 ATOM 1454 CG LEU A 187 3.629 49.889 77.288 1.00 0.00 ATOM 1455 CD1 LEU A 187 2.247 50.024 77.902 1.00 0.00 ATOM 1456 CD2 LEU A 187 4.629 50.765 78.040 1.00 0.00 ATOM 1457 O LEU A 187 1.562 46.626 76.635 1.00 0.00 ATOM 1458 C LEU A 187 2.269 47.466 76.086 1.00 0.00 ATOM 1459 N GLU A 188 1.805 48.416 75.306 1.00 0.00 ATOM 1460 CA GLU A 188 0.369 48.560 75.078 1.00 0.00 ATOM 1461 CB GLU A 188 0.069 49.900 74.405 1.00 0.00 ATOM 1462 CG GLU A 188 0.290 51.108 75.301 1.00 0.00 ATOM 1463 CD GLU A 188 0.103 52.420 74.566 1.00 0.00 ATOM 1464 OE1 GLU A 188 -0.129 52.386 73.338 1.00 0.00 ATOM 1465 OE2 GLU A 188 0.187 53.484 75.216 1.00 0.00 ATOM 1466 O GLU A 188 -1.348 47.047 74.462 1.00 0.00 ATOM 1467 C GLU A 188 -0.251 47.488 74.191 1.00 0.00 ATOM 1468 N LEU A 189 0.470 47.068 73.153 1.00 0.00 ATOM 1469 CA LEU A 189 -0.084 46.247 72.046 1.00 0.00 ATOM 1470 CB LEU A 189 0.230 46.888 70.693 1.00 0.00 ATOM 1471 CG LEU A 189 -0.313 48.301 70.471 1.00 0.00 ATOM 1472 CD1 LEU A 189 0.142 48.846 69.125 1.00 0.00 ATOM 1473 CD2 LEU A 189 -1.833 48.304 70.494 1.00 0.00 ATOM 1474 O LEU A 189 -0.175 43.939 71.388 1.00 0.00 ATOM 1475 C LEU A 189 0.460 44.835 71.991 1.00 0.00 ATOM 1476 N SER A 190 1.652 44.616 72.584 1.00 0.00 ATOM 1477 CA SER A 190 2.405 43.384 72.376 1.00 0.00 ATOM 1478 CB SER A 190 3.480 43.587 71.307 1.00 0.00 ATOM 1479 OG SER A 190 2.903 43.972 70.070 1.00 0.00 ATOM 1480 O SER A 190 4.299 42.582 73.613 1.00 0.00 ATOM 1481 C SER A 190 3.117 42.893 73.639 1.00 0.00 ATOM 1482 N ARG A 191 2.349 42.797 74.711 1.00 0.00 ATOM 1483 CA ARG A 191 2.846 42.458 76.050 1.00 0.00 ATOM 1484 CB ARG A 191 1.975 43.113 77.125 1.00 0.00 ATOM 1485 CG ARG A 191 2.413 42.806 78.549 1.00 0.00 ATOM 1486 CD ARG A 191 1.576 43.571 79.561 1.00 0.00 ATOM 1487 NE ARG A 191 1.905 43.202 80.935 1.00 0.00 ATOM 1488 CZ ARG A 191 1.389 43.788 82.011 1.00 0.00 ATOM 1489 NH1 ARG A 191 1.748 43.386 83.221 1.00 0.00 ATOM 1490 NH2 ARG A 191 0.515 44.776 81.872 1.00 0.00 ATOM 1491 O ARG A 191 1.732 40.376 76.476 1.00 0.00 ATOM 1492 C ARG A 191 2.791 40.937 76.188 1.00 0.00 ATOM 1493 N ASN A 192 4.008 40.289 75.875 1.00 0.00 ATOM 1494 CA ASN A 192 4.084 38.834 75.798 1.00 0.00 ATOM 1495 CB ASN A 192 4.439 38.389 74.378 1.00 0.00 ATOM 1496 CG ASN A 192 3.388 38.793 73.362 1.00 0.00 ATOM 1497 ND2 ASN A 192 3.751 39.702 72.466 1.00 0.00 ATOM 1498 OD1 ASN A 192 2.263 38.291 73.385 1.00 0.00 ATOM 1499 O ASN A 192 6.183 38.860 77.001 1.00 0.00 ATOM 1500 C ASN A 192 5.149 38.253 76.742 1.00 0.00 ATOM 1501 N ALA A 193 4.908 37.056 77.244 1.00 0.00 ATOM 1502 CA ALA A 193 5.893 36.411 78.111 1.00 0.00 ATOM 1503 CB ALA A 193 5.231 35.336 78.959 1.00 0.00 ATOM 1504 O ALA A 193 6.950 34.574 76.962 1.00 0.00 ATOM 1505 C ALA A 193 6.985 35.767 77.240 1.00 0.00 ATOM 1506 N ARG A 194 7.946 36.561 76.818 1.00 0.00 ATOM 1507 CA ARG A 194 9.055 36.087 76.011 1.00 0.00 ATOM 1508 CB ARG A 194 8.934 36.607 74.577 1.00 0.00 ATOM 1509 CG ARG A 194 7.678 36.149 73.855 1.00 0.00 ATOM 1510 CD ARG A 194 7.726 34.661 73.551 1.00 0.00 ATOM 1511 NE ARG A 194 6.569 34.222 72.775 1.00 0.00 ATOM 1512 CZ ARG A 194 5.425 33.808 73.308 1.00 0.00 ATOM 1513 NH1 ARG A 194 4.425 33.429 72.523 1.00 0.00 ATOM 1514 NH2 ARG A 194 5.282 33.776 74.627 1.00 0.00 ATOM 1515 O ARG A 194 10.402 37.612 77.277 1.00 0.00 ATOM 1516 C ARG A 194 10.361 36.575 76.599 1.00 0.00 ATOM 1517 N ARG A 195 11.519 36.185 75.903 1.00 0.00 ATOM 1518 CA ARG A 195 12.703 36.604 76.637 1.00 0.00 ATOM 1519 CB ARG A 195 13.757 35.495 76.632 1.00 0.00 ATOM 1520 CG ARG A 195 13.298 34.200 77.283 1.00 0.00 ATOM 1521 CD ARG A 195 13.333 34.303 78.800 1.00 0.00 ATOM 1522 NE ARG A 195 12.820 33.095 79.443 1.00 0.00 ATOM 1523 CZ ARG A 195 12.671 32.953 80.755 1.00 0.00 ATOM 1524 NH1 ARG A 195 12.197 31.818 81.249 1.00 0.00 ATOM 1525 NH2 ARG A 195 12.998 33.946 81.572 1.00 0.00 ATOM 1526 O ARG A 195 13.247 37.987 74.751 1.00 0.00 ATOM 1527 C ARG A 195 13.292 37.838 75.990 1.00 0.00 ATOM 1528 N ILE A 196 13.881 38.676 76.855 1.00 0.00 ATOM 1529 CA ILE A 196 14.437 39.940 76.415 1.00 0.00 ATOM 1530 CB ILE A 196 13.810 41.127 77.171 1.00 0.00 ATOM 1531 CG1 ILE A 196 12.290 41.125 77.000 1.00 0.00 ATOM 1532 CG2 ILE A 196 14.354 42.444 76.639 1.00 0.00 ATOM 1533 CD1 ILE A 196 11.837 41.299 75.567 1.00 0.00 ATOM 1534 O ILE A 196 16.487 39.580 77.601 1.00 0.00 ATOM 1535 C ILE A 196 15.947 40.099 76.650 1.00 0.00 ATOM 1536 N THR A 197 16.491 40.434 75.545 1.00 0.00 ATOM 1537 CA THR A 197 17.956 40.434 75.600 1.00 0.00 ATOM 1538 CB THR A 197 18.576 39.861 74.312 1.00 0.00 ATOM 1539 CG2 THR A 197 18.203 38.395 74.148 1.00 0.00 ATOM 1540 OG1 THR A 197 18.093 40.592 73.179 1.00 0.00 ATOM 1541 O THR A 197 20.051 41.523 75.930 1.00 0.00 ATOM 1542 C THR A 197 18.845 41.664 75.741 1.00 0.00 ATOM 1543 N LEU A 198 16.782 44.371 77.821 1.00 0.00 ATOM 1544 CA LEU A 198 16.690 45.800 77.698 1.00 0.00 ATOM 1545 CB LEU A 198 15.695 46.362 78.715 1.00 0.00 ATOM 1546 CG LEU A 198 15.431 47.867 78.643 1.00 0.00 ATOM 1547 CD1 LEU A 198 14.747 48.232 77.335 1.00 0.00 ATOM 1548 CD2 LEU A 198 14.533 48.311 79.788 1.00 0.00 ATOM 1549 O LEU A 198 18.733 46.143 78.943 1.00 0.00 ATOM 1550 C LEU A 198 18.053 46.437 77.948 1.00 0.00 ATOM 1551 N VAL A 199 18.452 47.314 77.027 1.00 0.00 ATOM 1552 CA VAL A 199 19.669 48.095 77.180 1.00 0.00 ATOM 1553 CB VAL A 199 20.657 47.834 76.031 1.00 0.00 ATOM 1554 CG1 VAL A 199 21.902 48.695 76.190 1.00 0.00 ATOM 1555 CG2 VAL A 199 21.082 46.373 76.014 1.00 0.00 ATOM 1556 O VAL A 199 18.413 49.916 76.291 1.00 0.00 ATOM 1557 C VAL A 199 19.202 49.524 77.176 1.00 0.00 ATOM 1558 N GLY A 200 19.652 50.329 78.137 1.00 0.00 ATOM 1559 CA GLY A 200 19.170 51.699 78.206 1.00 0.00 ATOM 1560 O GLY A 200 21.008 52.350 79.587 1.00 0.00 ATOM 1561 C GLY A 200 20.208 52.669 78.723 1.00 0.00 ATOM 1562 N PRO A 201 20.164 53.879 78.193 1.00 0.00 ATOM 1563 CA PRO A 201 20.982 54.958 78.717 1.00 0.00 ATOM 1564 CB PRO A 201 20.836 56.071 77.678 1.00 0.00 ATOM 1565 CG PRO A 201 20.417 55.367 76.431 1.00 0.00 ATOM 1566 CD PRO A 201 19.536 54.231 76.871 1.00 0.00 ATOM 1567 O PRO A 201 19.263 55.513 80.292 1.00 0.00 ATOM 1568 C PRO A 201 20.458 55.389 80.101 1.00 0.00 ATOM 1569 N GLY A 202 21.337 55.627 81.061 1.00 0.00 ATOM 1570 CA GLY A 202 20.940 56.200 82.329 1.00 0.00 ATOM 1571 O GLY A 202 20.200 54.028 82.983 1.00 0.00 ATOM 1572 C GLY A 202 20.109 55.230 83.140 1.00 0.00 ATOM 1573 N THR A 203 19.318 55.865 84.028 1.00 0.00 ATOM 1574 CA THR A 203 18.370 55.099 84.820 1.00 0.00 ATOM 1575 CB THR A 203 18.037 55.806 86.147 1.00 0.00 ATOM 1576 CG2 THR A 203 17.037 54.988 86.949 1.00 0.00 ATOM 1577 OG1 THR A 203 19.235 55.964 86.921 1.00 0.00 ATOM 1578 O THR A 203 16.360 53.817 84.668 1.00 0.00 ATOM 1579 C THR A 203 16.971 54.800 84.255 1.00 0.00 ATOM 1580 N PRO A 204 16.377 55.779 83.441 1.00 0.00 ATOM 1581 CA PRO A 204 15.084 55.461 82.816 1.00 0.00 ATOM 1582 CB PRO A 204 14.830 56.650 81.887 1.00 0.00 ATOM 1583 CG PRO A 204 15.669 57.736 82.432 1.00 0.00 ATOM 1584 CD PRO A 204 16.900 57.086 82.986 1.00 0.00 ATOM 1585 O PRO A 204 13.748 53.575 82.187 1.00 0.00 ATOM 1586 C PRO A 204 14.876 54.045 82.249 1.00 0.00 ATOM 1587 N LEU A 205 15.932 53.413 81.771 1.00 0.00 ATOM 1588 CA LEU A 205 15.740 52.155 81.042 1.00 0.00 ATOM 1589 CB LEU A 205 17.074 51.557 80.601 1.00 0.00 ATOM 1590 CG LEU A 205 18.046 50.959 81.621 1.00 0.00 ATOM 1591 CD1 LEU A 205 17.728 49.494 81.851 1.00 0.00 ATOM 1592 CD2 LEU A 205 19.470 51.115 81.089 1.00 0.00 ATOM 1593 O LEU A 205 14.185 50.352 81.293 1.00 0.00 ATOM 1594 C LEU A 205 15.042 51.052 81.834 1.00 0.00 ATOM 1595 N ALA A 206 15.386 50.891 83.135 1.00 0.00 ATOM 1596 CA ALA A 206 14.757 49.857 83.958 1.00 0.00 ATOM 1597 CB ALA A 206 15.324 49.857 85.369 1.00 0.00 ATOM 1598 O ALA A 206 12.466 49.175 84.054 1.00 0.00 ATOM 1599 C ALA A 206 13.283 50.131 84.073 1.00 0.00 ATOM 1600 N PRO A 207 12.836 51.355 84.294 1.00 0.00 ATOM 1601 CA PRO A 207 11.403 51.565 84.460 1.00 0.00 ATOM 1602 CB PRO A 207 11.280 53.057 84.776 1.00 0.00 ATOM 1603 CG PRO A 207 12.606 53.426 85.354 1.00 0.00 ATOM 1604 CD PRO A 207 13.624 52.597 84.622 1.00 0.00 ATOM 1605 O PRO A 207 9.367 51.008 83.325 1.00 0.00 ATOM 1606 C PRO A 207 10.573 51.227 83.211 1.00 0.00 ATOM 1607 N VAL A 208 11.189 51.265 82.018 1.00 0.00 ATOM 1608 CA VAL A 208 10.472 50.913 80.801 1.00 0.00 ATOM 1609 CB VAL A 208 11.261 51.233 79.527 1.00 0.00 ATOM 1610 CG1 VAL A 208 10.591 50.612 78.300 1.00 0.00 ATOM 1611 CG2 VAL A 208 11.420 52.741 79.373 1.00 0.00 ATOM 1612 O VAL A 208 8.973 49.015 80.530 1.00 0.00 ATOM 1613 C VAL A 208 10.121 49.408 80.863 1.00 0.00 ATOM 1614 N LEU A 209 10.263 47.789 81.025 1.00 0.00 ATOM 1615 CA LEU A 209 10.136 46.371 80.682 1.00 0.00 ATOM 1616 CB LEU A 209 11.421 45.861 80.028 1.00 0.00 ATOM 1617 CG LEU A 209 11.394 44.421 79.511 1.00 0.00 ATOM 1618 CD1 LEU A 209 10.320 44.253 78.446 1.00 0.00 ATOM 1619 CD2 LEU A 209 12.734 44.043 78.900 1.00 0.00 ATOM 1620 O LEU A 209 9.220 44.440 81.720 1.00 0.00 ATOM 1621 C LEU A 209 9.864 45.450 81.886 1.00 0.00 ATOM 1622 N PHE A 210 10.311 45.808 83.076 1.00 0.00 ATOM 1623 CA PHE A 210 10.158 44.934 84.249 1.00 0.00 ATOM 1624 CB PHE A 210 10.914 45.508 85.448 1.00 0.00 ATOM 1625 CG PHE A 210 12.407 45.383 85.341 1.00 0.00 ATOM 1626 CD1 PHE A 210 13.182 46.469 84.972 1.00 0.00 ATOM 1627 CD2 PHE A 210 13.037 44.180 85.606 1.00 0.00 ATOM 1628 CE1 PHE A 210 14.555 46.354 84.871 1.00 0.00 ATOM 1629 CE2 PHE A 210 14.411 44.065 85.507 1.00 0.00 ATOM 1630 CZ PHE A 210 15.169 45.146 85.141 1.00 0.00 ATOM 1631 O PHE A 210 8.356 43.834 85.371 1.00 0.00 ATOM 1632 C PHE A 210 8.703 44.773 84.660 1.00 0.00 ATOM 1633 N GLU A 211 7.836 45.672 84.207 1.00 0.00 ATOM 1634 CA GLU A 211 6.411 45.585 84.565 1.00 0.00 ATOM 1635 CB GLU A 211 5.766 46.972 84.541 1.00 0.00 ATOM 1636 CG GLU A 211 6.285 47.916 85.614 1.00 0.00 ATOM 1637 CD GLU A 211 5.659 49.294 85.531 1.00 0.00 ATOM 1638 OE1 GLU A 211 4.838 49.519 84.617 1.00 0.00 ATOM 1639 OE2 GLU A 211 5.989 50.149 86.378 1.00 0.00 ATOM 1640 O GLU A 211 4.402 44.443 83.864 1.00 0.00 ATOM 1641 C GLU A 211 5.576 44.695 83.615 1.00 0.00 ATOM 1642 N HIS A 212 6.206 44.203 82.562 1.00 0.00 ATOM 1643 CA HIS A 212 5.556 43.462 81.515 1.00 0.00 ATOM 1644 CB HIS A 212 6.186 43.785 80.159 1.00 0.00 ATOM 1645 CG HIS A 212 6.066 45.224 79.765 1.00 0.00 ATOM 1646 CD2 HIS A 212 6.984 46.346 79.635 1.00 0.00 ATOM 1647 ND1 HIS A 212 4.866 45.801 79.407 1.00 0.00 ATOM 1648 CE1 HIS A 212 5.073 47.095 79.107 1.00 0.00 ATOM 1649 NE2 HIS A 212 6.343 47.430 79.242 1.00 0.00 ATOM 1650 O HIS A 212 6.347 41.582 82.765 1.00 0.00 ATOM 1651 C HIS A 212 5.717 41.965 81.791 1.00 0.00 ATOM 1652 N GLY A 213 5.158 41.157 80.902 1.00 0.00 ATOM 1653 CA GLY A 213 5.336 39.720 80.985 1.00 0.00 ATOM 1654 O GLY A 213 7.126 38.129 80.659 1.00 0.00 ATOM 1655 C GLY A 213 6.713 39.287 80.451 1.00 0.00 ATOM 1656 N LEU A 214 7.436 40.181 79.750 1.00 0.00 ATOM 1657 CA LEU A 214 8.723 39.801 79.194 1.00 0.00 ATOM 1658 CB LEU A 214 9.271 40.915 78.298 1.00 0.00 ATOM 1659 CG LEU A 214 8.480 41.208 77.022 1.00 0.00 ATOM 1660 CD1 LEU A 214 9.057 42.415 76.298 1.00 0.00 ATOM 1661 CD2 LEU A 214 8.528 40.018 76.074 1.00 0.00 ATOM 1662 O LEU A 214 9.654 40.168 81.360 1.00 0.00 ATOM 1663 C LEU A 214 9.730 39.539 80.290 1.00 0.00 ATOM 1664 N GLN A 215 10.648 38.610 80.051 1.00 0.00 ATOM 1665 CA GLN A 215 11.690 38.292 81.045 1.00 0.00 ATOM 1666 CB GLN A 215 11.759 36.782 81.284 1.00 0.00 ATOM 1667 CG GLN A 215 10.504 36.196 81.912 1.00 0.00 ATOM 1668 CD GLN A 215 10.255 36.717 83.312 1.00 0.00 ATOM 1669 OE1 GLN A 215 11.176 36.812 84.122 1.00 0.00 ATOM 1670 NE2 GLN A 215 9.003 37.056 83.601 1.00 0.00 ATOM 1671 O GLN A 215 13.600 38.166 79.616 1.00 0.00 ATOM 1672 C GLN A 215 13.034 38.777 80.523 1.00 0.00 ATOM 1673 N GLU A 216 13.535 39.875 81.080 1.00 0.00 ATOM 1674 CA GLU A 216 14.816 40.429 80.635 1.00 0.00 ATOM 1675 CB GLU A 216 14.968 41.876 81.108 1.00 0.00 ATOM 1676 CG GLU A 216 16.235 42.558 80.620 1.00 0.00 ATOM 1677 CD GLU A 216 16.339 43.997 81.089 1.00 0.00 ATOM 1678 OE1 GLU A 216 15.423 44.457 81.802 1.00 0.00 ATOM 1679 OE2 GLU A 216 17.338 44.663 80.743 1.00 0.00 ATOM 1680 O GLU A 216 16.115 39.549 82.408 1.00 0.00 ATOM 1681 C GLU A 216 15.950 39.604 81.206 1.00 0.00 ATOM 1682 N LEU A 217 16.733 38.944 80.365 1.00 0.00 ATOM 1683 CA LEU A 217 17.814 38.083 80.825 1.00 0.00 ATOM 1684 CB LEU A 217 18.254 37.133 79.710 1.00 0.00 ATOM 1685 CG LEU A 217 17.227 36.093 79.262 1.00 0.00 ATOM 1686 CD1 LEU A 217 17.745 35.305 78.067 1.00 0.00 ATOM 1687 CD2 LEU A 217 16.930 35.111 80.385 1.00 0.00 ATOM 1688 O LEU A 217 19.755 38.405 82.186 1.00 0.00 ATOM 1689 C LEU A 217 19.052 38.838 81.266 1.00 0.00 ATOM 1690 N SER A 218 19.341 39.938 80.578 1.00 0.00 ATOM 1691 CA SER A 218 20.497 40.753 80.899 1.00 0.00 ATOM 1692 CB SER A 218 21.782 40.070 80.427 1.00 0.00 ATOM 1693 OG SER A 218 21.837 40.008 79.012 1.00 0.00 ATOM 1694 O SER A 218 19.627 42.255 79.238 1.00 0.00 ATOM 1695 C SER A 218 20.383 42.096 80.216 1.00 0.00 ATOM 1696 N GLY A 219 21.108 43.052 80.785 1.00 0.00 ATOM 1697 CA GLY A 219 21.362 44.348 80.159 1.00 0.00 ATOM 1698 O GLY A 219 23.751 44.110 80.584 1.00 0.00 ATOM 1699 C GLY A 219 22.847 44.463 79.794 1.00 0.00 ATOM 1700 N PHE A 220 23.120 44.983 78.612 1.00 0.00 ATOM 1701 CA PHE A 220 24.471 45.137 78.149 1.00 0.00 ATOM 1702 CB PHE A 220 25.197 44.247 77.528 1.00 0.00 ATOM 1703 CG PHE A 220 26.238 44.789 76.569 1.00 0.00 ATOM 1704 CD1 PHE A 220 27.387 45.420 77.043 1.00 0.00 ATOM 1705 CD2 PHE A 220 26.095 44.620 75.188 1.00 0.00 ATOM 1706 CE1 PHE A 220 28.384 45.871 76.164 1.00 0.00 ATOM 1707 CE2 PHE A 220 27.089 45.067 74.299 1.00 0.00 ATOM 1708 CZ PHE A 220 28.234 45.692 74.791 1.00 0.00 ATOM 1709 O PHE A 220 23.888 47.119 76.914 1.00 0.00 ATOM 1710 C PHE A 220 24.691 46.568 77.684 1.00 0.00 ATOM 1711 N MET A 221 25.733 47.174 78.131 1.00 0.00 ATOM 1712 CA MET A 221 26.076 48.556 77.828 1.00 0.00 ATOM 1713 CB MET A 221 26.890 49.168 78.971 1.00 0.00 ATOM 1714 CG MET A 221 26.143 49.241 80.294 1.00 0.00 ATOM 1715 SD MET A 221 24.628 50.213 80.184 1.00 0.00 ATOM 1716 CE MET A 221 25.297 51.857 79.942 1.00 0.00 ATOM 1717 O MET A 221 27.940 48.032 76.390 1.00 0.00 ATOM 1718 C MET A 221 26.914 48.691 76.549 1.00 0.00 ATOM 1719 N VAL A 222 26.474 49.577 75.659 1.00 0.00 ATOM 1720 CA VAL A 222 27.212 49.916 74.451 1.00 0.00 ATOM 1721 CB VAL A 222 26.264 50.277 73.292 1.00 0.00 ATOM 1722 CG1 VAL A 222 27.060 50.679 72.058 1.00 0.00 ATOM 1723 CG2 VAL A 222 25.387 49.087 72.933 1.00 0.00 ATOM 1724 O VAL A 222 27.543 52.143 75.180 1.00 0.00 ATOM 1725 C VAL A 222 28.082 51.110 74.802 1.00 0.00 ATOM 1726 N LYS A 223 29.399 50.940 74.682 1.00 0.00 ATOM 1727 CA LYS A 223 30.417 51.941 75.012 1.00 0.00 ATOM 1728 CB LYS A 223 31.328 51.431 76.130 1.00 0.00 ATOM 1729 CG LYS A 223 30.617 51.202 77.453 1.00 0.00 ATOM 1730 CD LYS A 223 31.590 50.754 78.531 1.00 0.00 ATOM 1731 CE LYS A 223 30.867 50.438 79.831 1.00 0.00 ATOM 1732 NZ LYS A 223 31.805 49.975 80.891 1.00 0.00 ATOM 1733 O LYS A 223 31.385 51.339 72.899 1.00 0.00 ATOM 1734 C LYS A 223 31.256 52.219 73.760 1.00 0.00 ATOM 1735 N ASP A 224 32.920 48.668 75.685 1.00 0.00 ATOM 1736 CA ASP A 224 33.379 47.331 75.964 1.00 0.00 ATOM 1737 CB ASP A 224 32.614 46.737 77.148 1.00 0.00 ATOM 1738 CG ASP A 224 33.110 45.357 77.531 1.00 0.00 ATOM 1739 OD1 ASP A 224 33.976 44.817 76.809 1.00 0.00 ATOM 1740 OD2 ASP A 224 32.635 44.816 78.551 1.00 0.00 ATOM 1741 O ASP A 224 32.014 46.026 74.476 1.00 0.00 ATOM 1742 C ASP A 224 33.128 46.499 74.706 1.00 0.00 ATOM 1743 N ASN A 225 34.159 46.329 73.879 1.00 0.00 ATOM 1744 CA ASN A 225 34.057 45.527 72.665 1.00 0.00 ATOM 1745 CB ASN A 225 35.400 45.520 71.924 1.00 0.00 ATOM 1746 CG ASN A 225 35.689 46.835 71.169 1.00 0.00 ATOM 1747 ND2 ASN A 225 36.949 47.013 70.740 1.00 0.00 ATOM 1748 OD1 ASN A 225 34.799 47.671 70.959 1.00 0.00 ATOM 1749 O ASN A 225 33.027 43.406 72.200 1.00 0.00 ATOM 1750 C ASN A 225 33.656 44.098 73.020 1.00 0.00 ATOM 1751 N ALA A 226 34.030 43.666 74.228 1.00 0.00 ATOM 1752 CA ALA A 226 33.731 42.320 74.727 1.00 0.00 ATOM 1753 CB ALA A 226 34.848 41.830 75.672 1.00 0.00 ATOM 1754 O ALA A 226 32.054 41.215 76.021 1.00 0.00 ATOM 1755 C ALA A 226 32.399 42.261 75.479 1.00 0.00 ATOM 1756 N ARG A 227 31.187 40.735 75.173 1.00 0.00 ATOM 1757 CA ARG A 227 29.809 40.893 75.659 1.00 0.00 ATOM 1758 CB ARG A 227 29.598 42.305 76.259 1.00 0.00 ATOM 1759 CG ARG A 227 28.233 42.439 76.879 1.00 0.00 ATOM 1760 CD ARG A 227 27.989 41.373 77.909 1.00 0.00 ATOM 1761 NE ARG A 227 26.764 41.658 78.682 1.00 0.00 ATOM 1762 CZ ARG A 227 25.972 40.733 79.237 1.00 0.00 ATOM 1763 NH1 ARG A 227 26.237 39.439 79.142 1.00 0.00 ATOM 1764 NH2 ARG A 227 24.912 41.148 79.891 1.00 0.00 ATOM 1765 O ARG A 227 27.799 39.935 74.861 1.00 0.00 ATOM 1766 C ARG A 227 28.799 40.581 74.593 1.00 0.00 ATOM 1767 N ALA A 228 29.045 41.020 73.353 1.00 0.00 ATOM 1768 CA ALA A 228 28.093 40.788 72.267 1.00 0.00 ATOM 1769 CB ALA A 228 28.604 41.412 70.978 1.00 0.00 ATOM 1770 O ALA A 228 26.783 38.795 72.059 1.00 0.00 ATOM 1771 C ALA A 228 27.896 39.288 72.079 1.00 0.00 ATOM 1772 N PHE A 229 29.001 38.560 72.002 1.00 0.00 ATOM 1773 CA PHE A 229 28.984 37.113 71.837 1.00 0.00 ATOM 1774 CB PHE A 229 30.410 36.567 71.747 1.00 0.00 ATOM 1775 CG PHE A 229 30.478 35.075 71.583 1.00 0.00 ATOM 1776 CD1 PHE A 229 30.257 34.489 70.349 1.00 0.00 ATOM 1777 CD2 PHE A 229 30.764 34.259 72.663 1.00 0.00 ATOM 1778 CE1 PHE A 229 30.319 33.118 70.198 1.00 0.00 ATOM 1779 CE2 PHE A 229 30.827 32.886 72.513 1.00 0.00 ATOM 1780 CZ PHE A 229 30.607 32.315 71.287 1.00 0.00 ATOM 1781 O PHE A 229 27.553 35.467 72.846 1.00 0.00 ATOM 1782 C PHE A 229 28.289 36.427 73.016 1.00 0.00 ATOM 1783 N ARG A 230 28.493 36.962 74.206 1.00 0.00 ATOM 1784 CA ARG A 230 27.820 36.480 75.413 1.00 0.00 ATOM 1785 CB ARG A 230 28.288 37.267 76.638 1.00 0.00 ATOM 1786 CG ARG A 230 29.717 36.963 77.061 1.00 0.00 ATOM 1787 CD ARG A 230 30.140 37.830 78.236 1.00 0.00 ATOM 1788 NE ARG A 230 31.521 37.572 78.637 1.00 0.00 ATOM 1789 CZ ARG A 230 32.160 38.243 79.589 1.00 0.00 ATOM 1790 NH1 ARG A 230 33.416 37.937 79.886 1.00 0.00 ATOM 1791 NH2 ARG A 230 31.543 39.219 80.241 1.00 0.00 ATOM 1792 O ARG A 230 25.574 35.691 75.702 1.00 0.00 ATOM 1793 C ARG A 230 26.304 36.609 75.328 1.00 0.00 ATOM 1794 N ILE A 231 25.835 37.750 74.844 1.00 0.00 ATOM 1795 CA ILE A 231 24.403 37.973 74.714 1.00 0.00 ATOM 1796 CB ILE A 231 24.097 39.394 74.204 1.00 0.00 ATOM 1797 CG1 ILE A 231 24.516 40.436 75.243 1.00 0.00 ATOM 1798 CG2 ILE A 231 22.611 39.556 73.931 1.00 0.00 ATOM 1799 CD1 ILE A 231 23.774 40.319 76.557 1.00 0.00 ATOM 1800 O ILE A 231 22.741 36.345 73.935 1.00 0.00 ATOM 1801 C ILE A 231 23.799 36.984 73.690 1.00 0.00 ATOM 1802 N VAL A 232 24.448 36.819 72.563 1.00 0.00 ATOM 1803 CA VAL A 232 23.916 35.973 71.493 1.00 0.00 ATOM 1804 CB VAL A 232 24.795 36.039 70.231 1.00 0.00 ATOM 1805 CG1 VAL A 232 24.333 35.014 69.205 1.00 0.00 ATOM 1806 CG2 VAL A 232 24.714 37.421 69.599 1.00 0.00 ATOM 1807 O VAL A 232 22.947 33.769 71.664 1.00 0.00 ATOM 1808 C VAL A 232 23.877 34.511 71.982 1.00 0.00 ATOM 1809 N ALA A 233 24.864 34.113 72.779 1.00 0.00 ATOM 1810 CA ALA A 233 24.880 32.769 73.373 1.00 0.00 ATOM 1811 CB ALA A 233 26.165 32.552 74.156 1.00 0.00 ATOM 1812 O ALA A 233 23.075 31.525 74.353 1.00 0.00 ATOM 1813 C ALA A 233 23.698 32.585 74.323 1.00 0.00 ATOM 1814 N GLY A 234 23.380 33.698 75.025 1.00 0.00 ATOM 1815 CA GLY A 234 22.256 33.648 75.946 1.00 0.00 ATOM 1816 O GLY A 234 19.998 32.896 75.762 1.00 0.00 ATOM 1817 C GLY A 234 20.937 33.474 75.218 1.00 0.00 ATOM 1818 N ALA A 235 20.880 33.968 73.990 1.00 0.00 ATOM 1819 CA ALA A 235 19.665 33.881 73.184 1.00 0.00 ATOM 1820 CB ALA A 235 19.791 34.662 71.885 1.00 0.00 ATOM 1821 O ALA A 235 18.146 32.092 72.671 1.00 0.00 ATOM 1822 C ALA A 235 19.327 32.440 72.731 1.00 0.00 ATOM 1823 N GLU A 236 20.299 31.563 72.435 1.00 0.00 ATOM 1824 CA GLU A 236 19.971 30.205 72.019 1.00 0.00 ATOM 1825 CB GLU A 236 21.238 29.450 71.612 1.00 0.00 ATOM 1826 CG GLU A 236 21.865 29.941 70.318 1.00 0.00 ATOM 1827 CD GLU A 236 23.182 29.253 70.010 1.00 0.00 ATOM 1828 OE1 GLU A 236 23.639 28.446 70.847 1.00 0.00 ATOM 1829 OE2 GLU A 236 23.755 29.524 68.935 1.00 0.00 ATOM 1830 O GLU A 236 18.278 28.847 73.047 1.00 0.00 ATOM 1831 C GLU A 236 19.307 29.505 73.201 1.00 0.00 ATOM 1832 N LYS A 237 19.963 29.745 74.458 1.00 0.00 ATOM 1833 CA LYS A 237 19.347 29.138 75.649 1.00 0.00 ATOM 1834 CB LYS A 237 20.209 27.987 76.170 1.00 0.00 ATOM 1835 CG LYS A 237 20.305 26.803 75.223 1.00 0.00 ATOM 1836 CD LYS A 237 21.137 25.682 75.822 1.00 0.00 ATOM 1837 CE LYS A 237 21.292 24.526 74.845 1.00 0.00 ATOM 1838 NZ LYS A 237 22.108 23.421 75.418 1.00 0.00 ATOM 1839 O LYS A 237 20.108 30.998 76.906 1.00 0.00 ATOM 1840 C LYS A 237 19.216 30.180 76.723 1.00 0.00 ATOM 1841 N VAL A 238 18.112 30.074 77.457 1.00 0.00 ATOM 1842 CA VAL A 238 17.907 30.970 78.584 1.00 0.00 ATOM 1843 CB VAL A 238 17.050 32.186 78.191 1.00 0.00 ATOM 1844 CG1 VAL A 238 17.751 33.010 77.123 1.00 0.00 ATOM 1845 CG2 VAL A 238 15.705 31.734 77.642 1.00 0.00 ATOM 1846 O VAL A 238 16.518 29.259 79.485 1.00 0.00 ATOM 1847 C VAL A 238 17.206 30.243 79.701 1.00 0.00 ATOM 1848 N LYS A 239 17.435 30.773 80.904 1.00 0.00 ATOM 1849 CA LYS A 239 16.780 30.244 82.091 1.00 0.00 ATOM 1850 CB LYS A 239 17.579 29.074 82.668 1.00 0.00 ATOM 1851 CG LYS A 239 17.614 27.845 81.773 1.00 0.00 ATOM 1852 CD LYS A 239 18.395 26.713 82.419 1.00 0.00 ATOM 1853 CE LYS A 239 18.390 25.470 81.546 1.00 0.00 ATOM 1854 NZ LYS A 239 19.153 24.352 82.165 1.00 0.00 ATOM 1855 O LYS A 239 17.459 32.232 83.256 1.00 0.00 ATOM 1856 C LYS A 239 16.657 31.300 83.180 1.00 0.00 ATOM 1857 N ILE A 240 15.623 31.207 83.999 1.00 0.00 ATOM 1858 CA ILE A 240 15.424 32.148 85.097 1.00 0.00 ATOM 1859 CB ILE A 240 13.940 32.243 85.495 1.00 0.00 ATOM 1860 CG1 ILE A 240 13.113 32.809 84.338 1.00 0.00 ATOM 1861 CG2 ILE A 240 13.769 33.154 86.701 1.00 0.00 ATOM 1862 CD1 ILE A 240 11.621 32.650 84.520 1.00 0.00 ATOM 1863 O ILE A 240 16.385 30.506 86.567 1.00 0.00 ATOM 1864 C ILE A 240 16.217 31.701 86.326 1.00 0.00 ATOM 1865 N TYR A 241 16.686 32.669 87.104 1.00 0.00 ATOM 1866 CA TYR A 241 17.443 32.363 88.309 1.00 0.00 ATOM 1867 CB TYR A 241 17.829 33.642 89.054 1.00 0.00 ATOM 1868 CG TYR A 241 18.711 33.416 90.270 1.00 0.00 ATOM 1869 CD1 TYR A 241 18.591 34.227 91.401 1.00 0.00 ATOM 1870 CD2 TYR A 241 19.682 32.414 90.281 1.00 0.00 ATOM 1871 CE1 TYR A 241 19.422 34.045 92.514 1.00 0.00 ATOM 1872 CE2 TYR A 241 20.515 32.226 91.383 1.00 0.00 ATOM 1873 CZ TYR A 241 20.378 33.045 92.494 1.00 0.00 ATOM 1874 OH TYR A 241 21.201 32.863 93.581 1.00 0.00 ATOM 1875 O TYR A 241 15.405 31.948 89.486 1.00 0.00 ATOM 1876 C TYR A 241 16.635 31.829 89.475 1.00 0.00 ATOM 1877 N SER A 242 17.406 31.091 90.444 1.00 0.00 ATOM 1878 CA SER A 242 16.802 30.599 91.680 1.00 0.00 ATOM 1879 CB SER A 242 17.717 30.022 92.762 1.00 0.00 ATOM 1880 OG SER A 242 18.539 28.992 92.240 1.00 0.00 ATOM 1881 O SER A 242 14.706 31.158 92.680 1.00 0.00 ATOM 1882 C SER A 242 15.824 31.555 92.359 1.00 0.00 ATOM 1883 N ALA A 243 16.233 32.804 92.577 1.00 0.00 ATOM 1884 CA ALA A 243 15.368 33.784 93.235 1.00 0.00 ATOM 1885 CB ALA A 243 16.204 34.826 93.962 1.00 0.00 ATOM 1886 O ALA A 243 13.568 35.345 92.757 1.00 0.00 ATOM 1887 C ALA A 243 14.403 34.537 92.312 1.00 0.00 ATOM 1888 N GLY A 244 14.516 34.261 91.019 1.00 0.00 ATOM 1889 CA GLY A 244 13.650 34.902 90.037 1.00 0.00 ATOM 1890 O GLY A 244 13.045 37.033 89.151 1.00 0.00 ATOM 1891 C GLY A 244 13.886 36.375 89.761 1.00 0.00 ATOM 1892 N GLN A 245 15.014 36.891 90.180 1.00 0.00 ATOM 1893 CA GLN A 245 15.334 38.305 89.994 1.00 0.00 ATOM 1894 CB GLN A 245 15.976 38.871 91.262 1.00 0.00 ATOM 1895 CG GLN A 245 15.077 38.825 92.486 1.00 0.00 ATOM 1896 CD GLN A 245 15.750 39.387 93.724 1.00 0.00 ATOM 1897 OE1 GLN A 245 16.766 40.073 93.632 1.00 0.00 ATOM 1898 NE2 GLN A 245 15.183 39.096 94.888 1.00 0.00 ATOM 1899 O GLN A 245 16.536 39.694 88.462 1.00 0.00 ATOM 1900 C GLN A 245 16.294 38.549 88.836 1.00 0.00 ATOM 1901 N LYS A 246 16.829 37.471 88.269 1.00 0.00 ATOM 1902 CA LYS A 246 17.775 37.600 87.159 1.00 0.00 ATOM 1903 CB LYS A 246 19.217 37.440 87.648 1.00 0.00 ATOM 1904 CG LYS A 246 19.648 38.487 88.659 1.00 0.00 ATOM 1905 CD LYS A 246 21.085 38.266 89.105 1.00 0.00 ATOM 1906 CE LYS A 246 21.534 39.345 90.076 1.00 0.00 ATOM 1907 NZ LYS A 246 22.982 39.227 90.406 1.00 0.00 ATOM 1908 O LYS A 246 16.844 35.560 86.282 1.00 0.00 ATOM 1909 C LYS A 246 17.542 36.550 86.076 1.00 0.00 ATOM 1910 N VAL A 247 18.116 36.740 84.924 1.00 0.00 ATOM 1911 CA VAL A 247 18.024 35.826 83.792 1.00 0.00 ATOM 1912 CB VAL A 247 17.321 36.488 82.594 1.00 0.00 ATOM 1913 CG1 VAL A 247 17.267 35.512 81.436 1.00 0.00 ATOM 1914 CG2 VAL A 247 15.911 36.899 82.981 1.00 0.00 ATOM 1915 O VAL A 247 20.336 36.133 83.377 1.00 0.00 ATOM 1916 C VAL A 247 19.414 35.315 83.486 1.00 0.00 ATOM 1917 N THR A 248 19.627 34.016 83.338 1.00 0.00 ATOM 1918 CA THR A 248 20.934 33.475 83.016 1.00 0.00 ATOM 1919 CB THR A 248 21.346 32.371 84.007 1.00 0.00 ATOM 1920 CG2 THR A 248 22.710 31.809 83.640 1.00 0.00 ATOM 1921 OG1 THR A 248 21.411 32.915 85.332 1.00 0.00 ATOM 1922 O THR A 248 19.976 32.042 81.341 1.00 0.00 ATOM 1923 C THR A 248 20.875 32.890 81.620 1.00 0.00 ATOM 1924 N ILE A 249 21.682 33.316 80.678 1.00 0.00 ATOM 1925 CA ILE A 249 21.727 32.846 79.343 1.00 0.00 ATOM 1926 CB ILE A 249 21.907 33.980 78.298 1.00 0.00 ATOM 1927 CG1 ILE A 249 20.801 35.014 78.484 1.00 0.00 ATOM 1928 CG2 ILE A 249 21.970 33.404 76.900 1.00 0.00 ATOM 1929 CD1 ILE A 249 20.966 36.271 77.653 1.00 0.00 ATOM 1930 O ILE A 249 24.040 32.210 79.505 1.00 0.00 ATOM 1931 C ILE A 249 22.890 31.861 79.279 1.00 0.00 ATOM 1932 N LYS A 250 22.554 30.486 79.109 1.00 0.00 ATOM 1933 CA LYS A 250 23.511 29.408 79.182 1.00 0.00 ATOM 1934 CB LYS A 250 22.867 28.026 79.310 1.00 0.00 ATOM 1935 CG LYS A 250 23.863 26.882 79.395 1.00 0.00 ATOM 1936 CD LYS A 250 23.159 25.548 79.582 1.00 0.00 ATOM 1937 CE LYS A 250 24.156 24.404 79.668 1.00 0.00 ATOM 1938 NZ LYS A 250 23.479 23.090 79.849 1.00 0.00 ATOM 1939 O LYS A 250 24.047 29.396 76.831 1.00 0.00 ATOM 1940 C LYS A 250 24.392 29.304 78.000 1.00 0.00 ATOM 1941 N LYS A 251 25.704 29.200 78.308 1.00 0.00 ATOM 1942 CA LYS A 251 26.755 29.128 77.300 1.00 0.00 ATOM 1943 CB LYS A 251 27.989 29.909 77.756 1.00 0.00 ATOM 1944 CG LYS A 251 27.751 31.400 77.929 1.00 0.00 ATOM 1945 CD LYS A 251 29.017 32.112 78.377 1.00 0.00 ATOM 1946 CE LYS A 251 28.810 33.617 78.439 1.00 0.00 ATOM 1947 NZ LYS A 251 30.022 34.323 78.941 1.00 0.00 ATOM 1948 O LYS A 251 27.682 27.039 78.050 1.00 0.00 ATOM 1949 C LYS A 251 27.021 27.622 77.201 1.00 0.00 ENDMDL EXPDTA 2h1qA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2h1qA ATOM 1 N MET 1 -3.558 34.258 54.390 1.00 0.00 ATOM 2 CA MET 1 -2.778 35.377 54.903 1.00 0.00 ATOM 3 CB MET 1 -1.825 35.840 53.836 1.00 0.00 ATOM 4 CG MET 1 -0.601 34.987 53.802 1.00 0.00 ATOM 5 SD MET 1 0.495 35.740 52.491 1.00 0.00 ATOM 6 CE MET 1 2.442 35.261 53.309 1.00 0.00 ATOM 7 O MET 1 -2.939 37.384 56.166 1.00 0.00 ATOM 8 C MET 1 -3.526 36.587 55.430 1.00 0.00 ATOM 9 N TRP 2 -4.800 36.745 55.074 1.00 0.00 ATOM 10 CA TRP 2 -5.602 37.779 55.739 1.00 0.00 ATOM 11 CB TRP 2 -6.794 38.231 54.894 1.00 0.00 ATOM 12 CG TRP 2 -6.473 38.987 53.632 1.00 0.00 ATOM 13 CD1 TRP 2 -6.744 38.588 52.363 1.00 0.00 ATOM 14 CD2 TRP 2 -5.869 40.293 53.516 1.00 0.00 ATOM 15 CE2 TRP 2 -5.799 40.599 52.158 1.00 0.00 ATOM 16 CE3 TRP 2 -5.364 41.222 54.440 1.00 0.00 ATOM 17 NE1 TRP 2 -6.332 39.544 51.471 1.00 0.00 ATOM 18 CZ2 TRP 2 -5.271 41.785 51.700 1.00 0.00 ATOM 19 CZ3 TRP 2 -4.840 42.396 53.971 1.00 0.00 ATOM 20 CH2 TRP 2 -4.765 42.652 52.622 1.00 0.00 ATOM 21 O TRP 2 -6.660 38.137 57.856 1.00 0.00 ATOM 22 C TRP 2 -6.092 37.329 57.126 1.00 0.00 ATOM 23 N GLU 3 -5.840 36.067 57.495 1.00 0.00 ATOM 24 CA GLU 3 -6.450 35.489 58.681 1.00 0.00 ATOM 25 CB GLU 3 -6.064 34.013 58.874 1.00 0.00 ATOM 26 CG GLU 3 -6.841 33.086 57.952 1.00 0.00 ATOM 27 CD GLU 3 -6.752 31.599 58.328 1.00 0.00 ATOM 28 OE1 GLU 3 -5.984 31.226 59.268 1.00 0.00 ATOM 29 OE2 GLU 3 -7.457 30.807 57.649 1.00 0.00 ATOM 30 O GLU 3 -6.996 36.421 60.765 1.00 0.00 ATOM 31 C GLU 3 -6.134 36.240 59.931 1.00 0.00 ATOM 32 N ILE 4 -4.883 36.662 60.083 1.00 0.00 ATOM 33 CA ILE 4 -4.504 37.418 61.265 1.00 0.00 ATOM 34 CB ILE 4 -2.958 37.602 61.373 1.00 0.00 ATOM 35 CG1 ILE 4 -2.584 38.114 62.765 1.00 0.00 ATOM 36 CG2 ILE 4 -2.439 38.538 60.309 1.00 0.00 ATOM 37 CD1 ILE 4 -1.081 38.146 63.027 1.00 0.00 ATOM 38 O ILE 4 -5.585 39.212 62.401 1.00 0.00 ATOM 39 C ILE 4 -5.235 38.759 61.323 1.00 0.00 ATOM 40 N TYR 5 -5.463 39.378 60.170 1.00 0.00 ATOM 41 CA TYR 5 -6.230 40.643 60.075 1.00 0.00 ATOM 42 CB TYR 5 -6.092 41.295 58.666 1.00 0.00 ATOM 43 CG TYR 5 -4.691 41.799 58.388 1.00 0.00 ATOM 44 CD1 TYR 5 -3.724 40.964 57.841 1.00 0.00 ATOM 45 CD2 TYR 5 -4.315 43.084 58.749 1.00 0.00 ATOM 46 CE1 TYR 5 -2.421 41.411 57.633 1.00 0.00 ATOM 47 CE2 TYR 5 -3.013 43.537 58.525 1.00 0.00 ATOM 48 CZ TYR 5 -2.070 42.693 57.978 1.00 0.00 ATOM 49 OH TYR 5 -0.768 43.124 57.777 1.00 0.00 ATOM 50 O TYR 5 -8.298 41.166 61.157 1.00 0.00 ATOM 51 C TYR 5 -7.704 40.411 60.384 1.00 0.00 ATOM 52 N ASP 6 -8.281 39.383 59.762 1.00 0.00 ATOM 53 CA ASP 6 -9.675 38.970 60.011 1.00 0.00 ATOM 54 CB ASP 6 -10.017 37.754 59.144 1.00 0.00 ATOM 55 CG ASP 6 -10.021 38.050 57.634 1.00 0.00 ATOM 56 OD1 ASP 6 -10.313 39.214 57.240 1.00 0.00 ATOM 57 OD2 ASP 6 -9.780 37.069 56.862 1.00 0.00 ATOM 58 O ASP 6 -10.885 38.986 62.103 1.00 0.00 ATOM 59 C ASP 6 -9.899 38.607 61.509 1.00 0.00 ATOM 60 N ALA 7 -8.966 37.885 62.114 1.00 0.00 ATOM 61 CA ALA 7 -9.021 37.580 63.566 1.00 0.00 ATOM 62 CB ALA 7 -7.777 36.789 63.984 1.00 0.00 ATOM 63 O ALA 7 -9.946 38.917 65.337 1.00 0.00 ATOM 64 C ALA 7 -9.140 38.856 64.419 1.00 0.00 ATOM 65 N MET 8 -8.340 39.869 64.114 1.00 0.00 ATOM 66 CA MET 8 -8.370 41.142 64.857 1.00 0.00 ATOM 67 CB MET 8 -7.238 42.068 64.436 1.00 0.00 ATOM 68 CG MET 8 -5.882 41.613 64.837 1.00 0.00 ATOM 69 SD MET 8 -4.518 42.970 64.376 1.00 0.00 ATOM 70 CE MET 8 -4.419 42.961 62.628 1.00 0.00 ATOM 71 O MET 8 -10.308 42.323 65.595 1.00 0.00 ATOM 72 C MET 8 -9.674 41.869 64.644 1.00 0.00 ATOM 73 N ILE 9 -10.088 41.961 63.385 1.00 0.00 ATOM 74 CA ILE 9 -11.299 42.721 63.034 1.00 0.00 ATOM 75 CB ILE 9 -11.458 42.850 61.485 1.00 0.00 ATOM 76 CG1 ILE 9 -10.322 43.691 60.882 1.00 0.00 ATOM 77 CG2 ILE 9 -12.793 43.504 61.138 1.00 0.00 ATOM 78 CD1 ILE 9 -10.191 43.521 59.368 1.00 0.00 ATOM 79 O ILE 9 -13.402 42.706 64.227 1.00 0.00 ATOM 80 C ILE 9 -12.532 42.048 63.637 1.00 0.00 ATOM 81 N ASN 10 -12.613 40.728 63.495 1.00 0.00 ATOM 82 CA ASN 10 -13.822 40.008 63.893 1.00 0.00 ATOM 83 CB ASN 10 -13.847 38.604 63.273 1.00 0.00 ATOM 84 CG ASN 10 -14.069 38.654 61.800 1.00 0.00 ATOM 85 ND2 ASN 10 -13.480 37.704 61.033 1.00 0.00 ATOM 86 OD1 ASN 10 -14.780 39.543 61.338 1.00 0.00 ATOM 87 O ASN 10 -15.095 39.609 65.845 1.00 0.00 ATOM 88 C ASN 10 -14.013 39.945 65.390 1.00 0.00 ATOM 89 N GLY 11 -12.977 40.285 66.148 1.00 0.00 ATOM 90 CA GLY 11 -13.078 40.411 67.595 1.00 0.00 ATOM 91 O GLY 11 -13.948 41.838 69.286 1.00 0.00 ATOM 92 C GLY 11 -13.690 41.713 68.103 1.00 0.00 ATOM 93 N ILE 12 -13.938 42.680 67.223 1.00 0.00 ATOM 94 CA ILE 12 -14.483 43.978 67.635 1.00 0.00 ATOM 95 CB ILE 12 -13.977 45.147 66.715 1.00 0.00 ATOM 96 CG1 ILE 12 -12.439 45.195 66.672 1.00 0.00 ATOM 97 CG2 ILE 12 -14.504 46.521 67.206 1.00 0.00 ATOM 98 CD1 ILE 12 -11.862 46.070 65.558 1.00 0.00 ATOM 99 O ILE 12 -16.661 43.694 66.644 1.00 0.00 ATOM 100 C ILE 12 -16.023 43.936 67.662 1.00 0.00 ATOM 101 N PRO 13 -16.632 44.186 68.837 1.00 0.00 ATOM 102 CA PRO 13 -18.079 44.308 68.863 1.00 0.00 ATOM 103 CB PRO 13 -18.411 44.407 70.356 1.00 0.00 ATOM 104 CG PRO 13 -17.114 43.928 71.063 1.00 0.00 ATOM 105 CD PRO 13 -16.033 44.363 70.170 1.00 0.00 ATOM 106 O PRO 13 -17.875 46.619 68.105 1.00 0.00 ATOM 107 C PRO 13 -18.549 45.551 68.105 1.00 0.00 ATOM 108 N GLU 14 -19.671 45.373 67.427 1.00 0.00 ATOM 109 CA GLU 14 -20.301 46.421 66.620 1.00 0.00 ATOM 110 CB GLU 14 -21.619 45.911 66.123 1.00 0.00 ATOM 111 CG GLU 14 -21.455 45.162 64.919 1.00 0.00 ATOM 112 CD GLU 14 -22.728 45.047 64.256 1.00 0.00 ATOM 113 OE1 GLU 14 -23.446 44.156 64.685 1.00 0.00 ATOM 114 OE2 GLU 14 -23.011 45.882 63.382 1.00 0.00 ATOM 115 O GLU 14 -20.684 48.767 66.722 1.00 0.00 ATOM 116 C GLU 14 -20.652 47.702 67.339 1.00 0.00 ATOM 117 N ASP 15 -20.980 47.568 68.625 1.00 0.00 ATOM 118 CA ASP 15 -21.395 48.692 69.457 1.00 0.00 ATOM 119 CB ASP 15 -21.643 48.208 70.889 1.00 0.00 ATOM 120 CG ASP 15 -22.897 47.309 71.017 1.00 0.00 ATOM 121 OD1 ASP 15 -23.620 47.080 70.009 1.00 0.00 ATOM 122 OD2 ASP 15 -23.162 46.826 72.151 1.00 0.00 ATOM 123 O ASP 15 -20.743 50.989 69.686 1.00 0.00 ATOM 124 C ASP 15 -20.367 49.830 69.475 1.00 0.00 ATOM 125 N PHE 16 -19.094 49.504 69.242 1.00 0.00 ATOM 126 CA PHE 16 -18.014 50.500 69.281 1.00 0.00 ATOM 127 CB PHE 16 -16.654 49.826 69.434 1.00 0.00 ATOM 128 CG PHE 16 -16.418 49.236 70.794 1.00 0.00 ATOM 129 CD1 PHE 16 -17.066 48.060 71.181 1.00 0.00 ATOM 130 CD2 PHE 16 -15.577 49.859 71.701 1.00 0.00 ATOM 131 CE1 PHE 16 -16.876 47.519 72.439 1.00 0.00 ATOM 132 CE2 PHE 16 -15.381 49.322 72.962 1.00 0.00 ATOM 133 CZ PHE 16 -16.039 48.148 73.331 1.00 0.00 ATOM 134 O PHE 16 -17.883 50.854 66.907 1.00 0.00 ATOM 135 C PHE 16 -17.994 51.374 68.036 1.00 0.00 ATOM 136 N LEU 17 -18.038 52.697 68.242 1.00 0.00 ATOM 137 CA LEU 17 -18.010 53.655 67.122 1.00 0.00 ATOM 138 CB LEU 17 -19.185 54.638 67.228 1.00 0.00 ATOM 139 CG LEU 17 -20.561 54.043 67.489 1.00 0.00 ATOM 140 CD1 LEU 17 -21.576 55.157 67.684 1.00 0.00 ATOM 141 CD2 LEU 17 -20.993 53.133 66.341 1.00 0.00 ATOM 142 O LEU 17 -16.024 54.521 68.073 1.00 0.00 ATOM 143 C LEU 17 -16.742 54.434 67.065 1.00 0.00 ATOM 144 N VAL 18 -16.425 54.940 65.864 1.00 0.00 ATOM 145 CA VAL 18 -15.331 55.902 65.660 1.00 0.00 ATOM 146 CB VAL 18 -14.949 56.038 64.152 1.00 0.00 ATOM 147 CG1 VAL 18 -13.834 57.073 63.942 1.00 0.00 ATOM 148 CG2 VAL 18 -14.512 54.690 63.568 1.00 0.00 ATOM 149 O VAL 18 -16.720 57.840 65.497 1.00 0.00 ATOM 150 C VAL 18 -15.871 57.225 66.163 1.00 0.00 ATOM 151 N ASP 19 -15.462 57.637 67.363 1.00 0.00 ATOM 152 CA ASP 19 -16.010 58.884 67.961 1.00 0.00 ATOM 153 CB ASP 19 -16.245 58.711 69.469 1.00 0.00 ATOM 154 CG ASP 19 -17.338 57.701 69.755 1.00 0.00 ATOM 155 OD1 ASP 19 -18.398 57.799 69.089 1.00 0.00 ATOM 156 OD2 ASP 19 -17.132 56.798 70.592 1.00 0.00 ATOM 157 O ASP 19 -15.640 61.263 67.722 1.00 0.00 ATOM 158 C ASP 19 -15.155 60.128 67.661 1.00 0.00 ATOM 159 N GLU 20 -13.895 59.891 67.351 1.00 0.00 ATOM 160 CA GLU 20 -12.932 60.954 67.070 1.00 0.00 ATOM 161 CB GLU 20 -12.387 61.527 68.384 1.00 0.00 ATOM 162 CG GLU 20 -12.212 63.044 68.406 1.00 0.00 ATOM 163 CD GLU 20 -11.396 63.548 69.622 1.00 0.00 ATOM 164 OE1 GLU 20 -11.383 62.877 70.688 1.00 0.00 ATOM 165 OE2 GLU 20 -10.752 64.618 69.492 1.00 0.00 ATOM 166 O GLU 20 -11.452 59.190 66.499 1.00 0.00 ATOM 167 C GLU 20 -11.821 60.333 66.256 1.00 0.00 ATOM 168 N LEU 21 -11.251 61.096 65.326 1.00 0.00 ATOM 169 CA LEU 21 -10.232 60.590 64.425 1.00 0.00 ATOM 170 CB LEU 21 -10.867 59.878 63.221 1.00 0.00 ATOM 171 CG LEU 21 -9.969 59.570 62.013 1.00 0.00 ATOM 172 CD1 LEU 21 -8.719 58.787 62.340 1.00 0.00 ATOM 173 CD2 LEU 21 -10.781 58.801 60.994 1.00 0.00 ATOM 174 O LEU 21 -9.850 62.725 63.419 1.00 0.00 ATOM 175 C LEU 21 -9.350 61.739 63.944 1.00 0.00 ATOM 176 N VAL 22 -8.046 61.606 64.152 1.00 0.00 ATOM 177 CA VAL 22 -7.080 62.564 63.614 1.00 0.00 ATOM 178 CB VAL 22 -6.475 63.472 64.703 1.00 0.00 ATOM 179 CG1 VAL 22 -5.358 64.343 64.112 1.00 0.00 ATOM 180 CG2 VAL 22 -7.547 64.341 65.325 1.00 0.00 ATOM 181 O VAL 22 -5.479 60.786 63.381 1.00 0.00 ATOM 182 C VAL 22 -5.975 61.809 62.890 1.00 0.00 ATOM 183 N CYS 23 -5.617 62.338 61.719 1.00 0.00 ATOM 184 CA CYS 23 -4.554 61.798 60.886 1.00 0.00 ATOM 185 CB CYS 23 -5.076 61.602 59.455 1.00 0.00 ATOM 186 SG CYS 23 -4.315 60.260 58.520 1.00 0.00 ATOM 187 O CYS 23 -3.461 63.851 60.284 1.00 0.00 ATOM 188 C CYS 23 -3.394 62.791 60.918 1.00 0.00 ATOM 189 N GLY 24 -2.352 62.456 61.671 1.00 0.00 ATOM 190 CA GLY 24 -1.170 63.323 61.796 1.00 0.00 ATOM 191 O GLY 24 -0.253 61.894 60.133 1.00 0.00 ATOM 192 C GLY 24 -0.076 62.870 60.866 1.00 0.00 ATOM 193 N THR 25 1.058 63.573 60.914 1.00 0.00 ATOM 194 CA THR 25 2.203 63.303 60.039 1.00 0.00 ATOM 195 CB THR 25 3.278 64.396 60.197 1.00 0.00 ATOM 196 CG2 THR 25 4.478 64.141 59.283 1.00 0.00 ATOM 197 OG1 THR 25 2.705 65.672 59.891 1.00 0.00 ATOM 198 O THR 25 3.375 61.300 59.388 1.00 0.00 ATOM 199 C THR 25 2.880 61.960 60.318 1.00 0.00 ATOM 200 N THR 26 2.913 61.577 61.594 1.00 0.00 ATOM 201 CA THR 26 3.581 60.343 62.024 1.00 0.00 ATOM 202 CB THR 26 4.659 60.665 63.064 1.00 0.00 ATOM 203 CG2 THR 26 5.676 61.634 62.473 1.00 0.00 ATOM 204 OG1 THR 26 4.047 61.267 64.215 1.00 0.00 ATOM 205 O THR 26 3.035 58.096 62.665 1.00 0.00 ATOM 206 C THR 26 2.650 59.273 62.596 1.00 0.00 ATOM 207 N HIS 27 1.443 59.660 63.021 1.00 0.00 ATOM 208 CA HIS 27 0.446 58.683 63.430 1.00 0.00 ATOM 209 CB HIS 27 0.420 58.471 64.952 1.00 0.00 ATOM 210 CG HIS 27 1.632 57.785 65.512 1.00 0.00 ATOM 211 CD2 HIS 27 1.972 56.475 65.573 1.00 0.00 ATOM 212 ND1 HIS 27 2.650 58.477 66.133 1.00 0.00 ATOM 213 CE1 HIS 27 3.569 57.622 66.545 1.00 0.00 ATOM 214 NE2 HIS 27 3.180 56.401 66.219 1.00 0.00 ATOM 215 O HIS 27 -1.219 60.281 62.767 1.00 0.00 ATOM 216 C HIS 27 -0.948 59.105 63.011 1.00 0.00 ATOM 217 N SER 28 -1.820 58.100 62.939 1.00 0.00 ATOM 218 CA SER 28 -3.261 58.275 62.918 1.00 0.00 ATOM 219 CB SER 28 -3.893 57.406 61.834 1.00 0.00 ATOM 220 OG SER 28 -3.667 57.960 60.541 1.00 0.00 ATOM 221 O SER 28 -3.186 56.967 64.920 1.00 0.00 ATOM 222 C SER 28 -3.769 57.852 64.294 1.00 0.00 ATOM 223 N VAL 29 -4.829 58.505 64.769 1.00 0.00 ATOM 224 CA VAL 29 -5.382 58.223 66.100 1.00 0.00 ATOM 225 CB VAL 29 -4.777 59.166 67.187 1.00 0.00 ATOM 226 CG1 VAL 29 -5.175 60.605 66.961 1.00 0.00 ATOM 227 CG2 VAL 29 -5.161 58.710 68.586 1.00 0.00 ATOM 228 O VAL 29 -7.564 59.072 65.449 1.00 0.00 ATOM 229 C VAL 29 -6.927 58.220 66.076 1.00 0.00 ATOM 230 N ILE 30 -7.505 57.223 66.743 1.00 0.00 ATOM 231 CA ILE 30 -8.947 57.081 66.871 1.00 0.00 ATOM 232 CB ILE 30 -9.463 55.888 66.022 1.00 0.00 ATOM 233 CG1 ILE 30 -9.281 56.216 64.539 1.00 0.00 ATOM 234 CG2 ILE 30 -10.903 55.542 66.344 1.00 0.00 ATOM 235 CD1 ILE 30 -9.943 55.257 63.593 1.00 0.00 ATOM 236 O ILE 30 -8.682 56.163 69.047 1.00 0.00 ATOM 237 C ILE 30 -9.329 56.896 68.331 1.00 0.00 ATOM 238 N ARG 31 -10.393 57.587 68.739 1.00 0.00 ATOM 239 CA ARG 31 -11.096 57.350 69.996 1.00 0.00 ATOM 240 CB ARG 31 -11.416 58.660 70.709 1.00 0.00 ATOM 241 CG ARG 31 -12.048 58.426 72.079 1.00 0.00 ATOM 242 CD ARG 31 -12.107 59.704 72.927 1.00 0.00 ATOM 243 NE ARG 31 -13.027 60.718 72.384 1.00 0.00 ATOM 244 CZ ARG 31 -14.349 60.656 72.412 1.00 0.00 ATOM 245 NH1 ARG 31 -14.972 59.612 72.944 1.00 0.00 ATOM 246 NH2 ARG 31 -15.072 61.649 71.887 1.00 0.00 ATOM 247 O ARG 31 -13.163 57.076 68.869 1.00 0.00 ATOM 248 C ARG 31 -12.417 56.659 69.741 1.00 0.00 ATOM 249 N SER 32 -12.701 55.619 70.524 1.00 0.00 ATOM 250 CA SER 32 -14.032 55.009 70.607 1.00 0.00 ATOM 251 CB SER 32 -14.053 53.580 70.030 1.00 0.00 ATOM 252 OG SER 32 -15.354 52.983 70.145 1.00 0.00 ATOM 253 O SER 32 -13.655 54.208 72.805 1.00 0.00 ATOM 254 C SER 32 -14.341 54.942 72.090 1.00 0.00 ATOM 255 N GLY 33 -15.362 55.693 72.532 1.00 0.00 ATOM 256 CA GLY 33 -15.602 55.925 73.959 1.00 0.00 ATOM 257 O GLY 33 -13.821 57.458 74.461 1.00 0.00 ATOM 258 C GLY 33 -14.389 56.405 74.751 1.00 0.00 ATOM 259 N ASN 34 -14.001 55.619 75.752 1.00 0.00 ATOM 260 CA ASN 34 -12.808 55.873 76.584 1.00 0.00 ATOM 261 CB ASN 34 -13.109 55.327 77.998 1.00 0.00 ATOM 262 CG ASN 34 -11.932 55.423 78.954 1.00 0.00 ATOM 263 ND2 ASN 34 -11.573 54.289 79.560 1.00 0.00 ATOM 264 OD1 ASN 34 -11.378 56.500 79.178 1.00 0.00 ATOM 265 O ASN 34 -10.407 55.455 76.610 1.00 0.00 ATOM 266 C ASN 34 -11.482 55.287 76.015 1.00 0.00 ATOM 267 N GLY 35 -11.539 54.625 74.862 1.00 0.00 ATOM 268 CA GLY 35 -10.384 53.912 74.333 1.00 0.00 ATOM 269 O GLY 35 -10.455 55.165 72.288 1.00 0.00 ATOM 270 C GLY 35 -9.755 54.652 73.172 1.00 0.00 ATOM 271 N VAL 36 -8.430 54.692 73.161 1.00 0.00 ATOM 272 CA VAL 36 -7.683 55.360 72.106 1.00 0.00 ATOM 273 CB VAL 36 -6.956 56.616 72.650 1.00 0.00 ATOM 274 CG1 VAL 36 -6.013 57.208 71.580 1.00 0.00 ATOM 275 CG2 VAL 36 -7.970 57.629 73.111 1.00 0.00 ATOM 276 O VAL 36 -5.825 53.830 72.189 1.00 0.00 ATOM 277 C VAL 36 -6.655 54.407 71.482 1.00 0.00 ATOM 278 N GLY 37 -6.720 54.273 70.156 1.00 0.00 ATOM 279 CA GLY 37 -5.768 53.484 69.396 1.00 0.00 ATOM 280 O GLY 37 -5.428 55.402 67.959 1.00 0.00 ATOM 281 C GLY 37 -4.970 54.321 68.416 1.00 0.00 ATOM 282 N LEU 38 -3.769 53.822 68.119 1.00 0.00 ATOM 283 CA LEU 38 -2.768 54.504 67.288 1.00 0.00 ATOM 284 CB LEU 38 -1.522 54.844 68.106 1.00 0.00 ATOM 285 CG LEU 38 -1.641 55.846 69.241 1.00 0.00 ATOM 286 CD1 LEU 38 -0.494 55.664 70.218 1.00 0.00 ATOM 287 CD2 LEU 38 -1.662 57.276 68.688 1.00 0.00 ATOM 288 O LEU 38 -2.350 52.348 66.265 1.00 0.00 ATOM 289 C LEU 38 -2.336 53.596 66.136 1.00 0.00 ATOM 290 N GLY 39 -2.033 54.216 64.998 1.00 0.00 ATOM 291 CA GLY 39 -1.363 53.524 63.889 1.00 0.00 ATOM 292 O GLY 39 -0.499 55.637 63.199 1.00 0.00 ATOM 293 C GLY 39 -0.304 54.421 63.252 1.00 0.00 ATOM 294 N PRO 40 0.849 53.845 62.808 1.00 0.00 ATOM 295 CA PRO 40 1.937 54.671 62.260 1.00 0.00 ATOM 296 CB PRO 40 3.174 53.780 62.435 1.00 0.00 ATOM 297 CG PRO 40 2.648 52.390 62.300 1.00 0.00 ATOM 298 CD PRO 40 1.209 52.416 62.832 1.00 0.00 ATOM 299 O PRO 40 1.362 54.249 59.953 1.00 0.00 ATOM 300 C PRO 40 1.791 55.074 60.783 1.00 0.00 ATOM 301 N ASN 41 2.184 56.318 60.487 1.00 0.00 ATOM 302 CA ASN 41 2.217 56.892 59.128 1.00 0.00 ATOM 303 CB ASN 41 1.529 58.264 59.117 1.00 0.00 ATOM 304 CG ASN 41 0.035 58.161 59.287 1.00 0.00 ATOM 305 ND2 ASN 41 -0.605 59.247 59.717 1.00 0.00 ATOM 306 OD1 ASN 41 -0.540 57.113 59.026 1.00 0.00 ATOM 307 O ASN 41 4.564 56.872 59.439 1.00 0.00 ATOM 308 C ASN 41 3.651 57.091 58.668 1.00 0.00 ATOM 309 N ARG 42 3.846 57.488 57.411 1.00 0.00 ATOM 310 CA ARG 42 5.162 57.958 56.941 1.00 0.00 ATOM 311 CB ARG 42 5.675 57.161 55.728 1.00 0.00 ATOM 312 CG ARG 42 5.425 55.653 55.695 1.00 0.00 ATOM 313 CD ARG 42 5.346 55.189 54.224 1.00 0.00 ATOM 314 NE ARG 42 5.364 53.734 54.036 1.00 0.00 ATOM 315 CZ ARG 42 6.462 52.970 53.940 1.00 0.00 ATOM 316 NH1 ARG 42 7.689 53.498 54.016 1.00 0.00 ATOM 317 NH2 ARG 42 6.329 51.653 53.774 1.00 0.00 ATOM 318 O ARG 42 3.944 59.876 56.176 1.00 0.00 ATOM 319 C ARG 42 5.036 59.431 56.532 1.00 0.00 ATOM 320 N PRO 43 6.154 60.189 56.563 1.00 0.00 ATOM 321 CA PRO 43 6.163 61.534 55.953 1.00 0.00 ATOM 322 CB PRO 43 7.508 62.121 56.403 1.00 0.00 ATOM 323 CG PRO 43 8.382 60.934 56.638 1.00 0.00 ATOM 324 CD PRO 43 7.463 59.841 57.147 1.00 0.00 ATOM 325 O PRO 43 5.645 62.447 53.782 1.00 0.00 ATOM 326 C PRO 43 6.080 61.479 54.416 1.00 0.00 ATOM 327 N PHE 44 6.513 60.357 53.834 1.00 0.00 ATOM 328 CA PHE 44 6.313 60.072 52.410 1.00 0.00 ATOM 329 CB PHE 44 6.903 58.695 52.053 1.00 0.00 ATOM 330 O PHE 44 4.371 61.050 51.353 1.00 0.00 ATOM 331 C PHE 44 4.818 60.121 52.038 1.00 0.00 ATOM 332 N GLU 45 4.058 59.136 52.527 1.00 0.00 ATOM 333 CA GLU 45 2.629 58.967 52.209 1.00 0.00 ATOM 334 CB GLU 45 2.037 57.896 53.131 1.00 0.00 ATOM 335 O GLU 45 2.097 61.145 53.107 1.00 0.00 ATOM 336 C GLU 45 1.798 60.264 52.294 1.00 0.00 ATOM 337 N THR 46 0.757 60.356 51.452 1.00 0.00 ATOM 338 CA THR 46 -0.086 61.568 51.311 1.00 0.00 ATOM 339 CB THR 46 -0.233 61.964 49.825 1.00 0.00 ATOM 340 O THR 46 -2.182 60.425 51.756 1.00 0.00 ATOM 341 C THR 46 -1.508 61.448 51.911 1.00 0.00 ATOM 342 N ARG 47 -1.963 62.526 52.553 1.00 0.00 ATOM 343 CA ARG 47 -3.191 62.525 53.366 1.00 0.00 ATOM 344 CB ARG 47 -3.327 63.839 54.149 1.00 0.00 ATOM 345 O ARG 47 -4.493 62.293 51.345 1.00 0.00 ATOM 346 C ARG 47 -4.477 62.289 52.580 1.00 0.00 ATOM 347 N MET 48 -5.553 62.065 53.329 1.00 0.00 ATOM 348 CA MET 48 -6.865 61.768 52.757 1.00 0.00 ATOM 349 CB MET 48 -7.070 60.263 52.678 1.00 0.00 ATOM 350 CG MET 48 -6.012 59.523 51.902 1.00 0.00 ATOM 351 SD MET 48 -6.334 57.641 52.144 1.00 0.00 ATOM 352 CE MET 48 -7.796 57.440 50.734 1.00 0.00 ATOM 353 O MET 48 -8.661 61.667 54.356 1.00 0.00 ATOM 354 C MET 48 -7.963 62.382 53.621 1.00 0.00 ATOM 355 N PRO 49 -8.125 63.719 53.531 1.00 0.00 ATOM 356 CA PRO 49 -9.073 64.432 54.393 1.00 0.00 ATOM 357 CB PRO 49 -8.938 65.894 53.929 1.00 0.00 ATOM 358 CG PRO 49 -7.603 65.967 53.278 1.00 0.00 ATOM 359 CD PRO 49 -7.425 64.642 52.615 1.00 0.00 ATOM 360 O PRO 49 -11.296 64.090 55.197 1.00 0.00 ATOM 361 C PRO 49 -10.517 63.949 54.257 1.00 0.00 ATOM 362 N MET 50 -10.852 63.362 53.109 1.00 0.00 ATOM 363 CA MET 50 -12.234 62.993 52.784 1.00 0.00 ATOM 364 CB MET 50 -12.436 63.001 51.259 1.00 0.00 ATOM 365 CG MET 50 -11.859 64.241 50.500 1.00 0.00 ATOM 366 SD MET 50 -12.927 65.928 50.580 1.00 0.00 ATOM 367 CE MET 50 -14.483 65.414 49.396 1.00 0.00 ATOM 368 O MET 50 -13.748 61.431 53.816 1.00 0.00 ATOM 369 C MET 50 -12.624 61.626 53.368 1.00 0.00 ATOM 370 N LEU 51 -11.697 60.675 53.350 1.00 0.00 ATOM 371 CA LEU 51 -11.906 59.399 54.038 1.00 0.00 ATOM 372 CB LEU 51 -10.702 58.462 53.792 1.00 0.00 ATOM 373 CG LEU 51 -10.698 57.024 54.349 1.00 0.00 ATOM 374 CD1 LEU 51 -11.557 56.074 53.533 1.00 0.00 ATOM 375 CD2 LEU 51 -9.285 56.508 54.372 1.00 0.00 ATOM 376 O LEU 51 -12.971 59.054 56.195 1.00 0.00 ATOM 377 C LEU 51 -12.098 59.646 55.545 1.00 0.00 ATOM 378 N THR 52 -11.264 60.527 56.085 1.00 0.00 ATOM 379 CA THR 52 -11.245 60.833 57.509 1.00 0.00 ATOM 380 CB THR 52 -10.164 61.905 57.799 1.00 0.00 ATOM 381 CG2 THR 52 -10.208 62.380 59.258 1.00 0.00 ATOM 382 OG1 THR 52 -8.870 61.348 57.508 1.00 0.00 ATOM 383 O THR 52 -13.163 60.717 58.938 1.00 0.00 ATOM 384 C THR 52 -12.611 61.290 58.000 1.00 0.00 ATOM 385 N GLN 53 -13.162 62.303 57.340 1.00 0.00 ATOM 386 CA GLN 53 -14.488 62.815 57.664 1.00 0.00 ATOM 387 CB GLN 53 -14.893 63.898 56.653 1.00 0.00 ATOM 388 O GLN 53 -16.374 61.652 58.615 1.00 0.00 ATOM 389 C GLN 53 -15.551 61.704 57.700 1.00 0.00 ATOM 390 N ASN 54 -15.516 60.804 56.718 1.00 0.00 ATOM 391 CA ASN 54 -16.571 59.801 56.574 1.00 0.00 ATOM 392 CB ASN 54 -16.607 59.254 55.143 1.00 0.00 ATOM 393 CG ASN 54 -17.684 59.916 54.304 1.00 0.00 ATOM 394 ND2 ASN 54 -18.095 59.245 53.240 1.00 0.00 ATOM 395 OD1 ASN 54 -18.161 61.006 54.628 1.00 0.00 ATOM 396 O ASN 54 -17.592 58.080 57.857 1.00 0.00 ATOM 397 C ASN 54 -16.549 58.661 57.579 1.00 0.00 ATOM 398 N LEU 55 -15.391 58.366 58.171 1.00 0.00 ATOM 399 CA LEU 55 -15.331 57.271 59.116 1.00 0.00 ATOM 400 CB LEU 55 -13.886 56.798 59.298 1.00 0.00 ATOM 401 CG LEU 55 -13.243 56.227 58.025 1.00 0.00 ATOM 402 CD1 LEU 55 -11.765 55.979 58.230 1.00 0.00 ATOM 403 CD2 LEU 55 -13.966 54.949 57.564 1.00 0.00 ATOM 404 O LEU 55 -16.466 56.776 61.176 1.00 0.00 ATOM 405 C LEU 55 -15.983 57.647 60.437 1.00 0.00 ATOM 406 N LEU 56 -16.035 58.947 60.724 1.00 0.00 ATOM 407 CA LEU 56 -16.676 59.422 61.950 1.00 0.00 ATOM 408 CB LEU 56 -16.701 60.950 62.021 1.00 0.00 ATOM 409 CG LEU 56 -15.539 61.632 62.708 1.00 0.00 ATOM 410 CD1 LEU 56 -15.907 63.106 62.837 1.00 0.00 ATOM 411 CD2 LEU 56 -15.258 60.999 64.087 1.00 0.00 ATOM 412 O LEU 56 -18.876 59.132 61.108 1.00 0.00 ATOM 413 C LEU 56 -18.092 58.936 62.036 1.00 0.00 ATOM 414 N GLY 57 -18.434 58.323 63.163 1.00 0.00 ATOM 415 CA GLY 57 -19.771 57.776 63.336 1.00 0.00 ATOM 416 O GLY 57 -20.822 55.651 63.437 1.00 0.00 ATOM 417 C GLY 57 -19.918 56.316 62.965 1.00 0.00 ATOM 418 N LEU 58 -19.023 55.783 62.133 1.00 0.00 ATOM 419 CA LEU 58 -19.181 54.408 61.685 1.00 0.00 ATOM 420 CB LEU 58 -18.332 54.132 60.426 1.00 0.00 ATOM 421 CG LEU 58 -18.881 54.766 59.133 1.00 0.00 ATOM 422 CD1 LEU 58 -17.984 54.414 57.955 1.00 0.00 ATOM 423 CD2 LEU 58 -20.272 54.334 58.866 1.00 0.00 ATOM 424 O LEU 58 -17.982 53.841 63.654 1.00 0.00 ATOM 425 C LEU 58 -18.764 53.475 62.788 1.00 0.00 ATOM 426 N PRO 59 -19.274 52.245 62.755 1.00 0.00 ATOM 427 CA PRO 59 -18.708 51.232 63.624 1.00 0.00 ATOM 428 CB PRO 59 -19.393 49.941 63.153 1.00 0.00 ATOM 429 CG PRO 59 -20.702 50.404 62.650 1.00 0.00 ATOM 430 CD PRO 59 -20.401 51.713 61.965 1.00 0.00 ATOM 431 O PRO 59 -16.643 51.087 62.402 1.00 0.00 ATOM 432 C PRO 59 -17.218 51.105 63.503 1.00 0.00 ATOM 433 N LEU 60 -16.588 50.979 64.657 1.00 0.00 ATOM 434 CA LEU 60 -15.184 50.756 64.729 1.00 0.00 ATOM 435 CB LEU 60 -14.817 50.557 66.202 1.00 0.00 ATOM 436 CG LEU 60 -13.446 50.949 66.694 1.00 0.00 ATOM 437 CD1 LEU 60 -13.164 52.435 66.414 1.00 0.00 ATOM 438 CD2 LEU 60 -13.376 50.637 68.182 1.00 0.00 ATOM 439 O LEU 60 -13.705 49.531 63.257 1.00 0.00 ATOM 440 C LEU 60 -14.770 49.543 63.896 1.00 0.00 ATOM 441 N ARG 61 -15.601 48.510 63.889 1.00 0.00 ATOM 442 CA ARG 61 -15.246 47.317 63.126 1.00 0.00 ATOM 443 CB ARG 61 -16.138 46.144 63.501 1.00 0.00 ATOM 444 CG ARG 61 -15.629 44.864 62.886 1.00 0.00 ATOM 445 CD ARG 61 -16.322 43.652 63.416 1.00 0.00 ATOM 446 NE ARG 61 -17.751 43.645 63.151 1.00 0.00 ATOM 447 CZ ARG 61 -18.594 42.809 63.745 1.00 0.00 ATOM 448 NH1 ARG 61 -18.142 41.936 64.648 1.00 0.00 ATOM 449 NH2 ARG 61 -19.889 42.839 63.443 1.00 0.00 ATOM 450 O ARG 61 -14.563 46.900 60.870 1.00 0.00 ATOM 451 C ARG 61 -15.281 47.554 61.613 1.00 0.00 ATOM 452 N VAL 62 -16.130 48.475 61.165 1.00 0.00 ATOM 453 CA VAL 62 -16.207 48.814 59.738 1.00 0.00 ATOM 454 CB VAL 62 -17.507 49.564 59.393 1.00 0.00 ATOM 455 CG1 VAL 62 -17.488 50.026 57.948 1.00 0.00 ATOM 456 CG2 VAL 62 -18.716 48.659 59.622 1.00 0.00 ATOM 457 O VAL 62 -14.260 49.267 58.383 1.00 0.00 ATOM 458 C VAL 62 -14.936 49.606 59.348 1.00 0.00 ATOM 459 N ALA 63 -14.616 50.632 60.121 1.00 0.00 ATOM 460 CA ALA 63 -13.369 51.382 59.957 1.00 0.00 ATOM 461 CB ALA 63 -13.276 52.477 61.003 1.00 0.00 ATOM 462 O ALA 63 -11.131 50.725 59.322 1.00 0.00 ATOM 463 C ALA 63 -12.088 50.491 60.036 1.00 0.00 ATOM 464 N ALA 64 -12.094 49.474 60.902 1.00 0.00 ATOM 465 CA ALA 64 -10.976 48.536 61.019 1.00 0.00 ATOM 466 CB ALA 64 -11.224 47.528 62.135 1.00 0.00 ATOM 467 O ALA 64 -9.535 47.466 59.463 1.00 0.00 ATOM 468 C ALA 64 -10.675 47.813 59.703 1.00 0.00 ATOM 469 N GLY 65 -11.689 47.595 58.863 1.00 0.00 ATOM 470 CA GLY 65 -11.507 47.057 57.520 1.00 0.00 ATOM 471 O GLY 65 -9.924 47.294 55.727 1.00 0.00 ATOM 472 C GLY 65 -10.507 47.836 56.671 1.00 0.00 ATOM 473 N CYS 66 -10.308 49.105 57.006 1.00 0.00 ATOM 474 CA CYS 66 -9.285 49.922 56.339 1.00 0.00 ATOM 475 CB CYS 66 -9.349 51.384 56.793 1.00 0.00 ATOM 476 SG CYS 66 -10.827 52.248 56.327 1.00 0.00 ATOM 477 O CYS 66 -7.005 49.725 55.731 1.00 0.00 ATOM 478 C CYS 66 -7.869 49.413 56.544 1.00 0.00 ATOM 479 N VAL 67 -7.634 48.636 57.606 1.00 0.00 ATOM 480 CA VAL 67 -6.305 48.061 57.876 1.00 0.00 ATOM 481 CB VAL 67 -6.272 47.226 59.197 1.00 0.00 ATOM 482 CG1 VAL 67 -6.985 45.892 59.048 1.00 0.00 ATOM 483 CG2 VAL 67 -4.811 47.021 59.705 1.00 0.00 ATOM 484 O VAL 67 -4.572 47.109 56.486 1.00 0.00 ATOM 485 C VAL 67 -5.787 47.232 56.692 1.00 0.00 ATOM 486 N LYS 68 -6.704 46.698 55.901 1.00 0.00 ATOM 487 CA LYS 68 -6.337 45.868 54.785 1.00 0.00 ATOM 488 CB LYS 68 -7.438 44.873 54.504 1.00 0.00 ATOM 489 CG LYS 68 -7.796 43.907 55.632 1.00 0.00 ATOM 490 CD LYS 68 -8.757 42.877 55.012 1.00 0.00 ATOM 491 CE LYS 68 -9.310 41.846 55.955 1.00 0.00 ATOM 492 NZ LYS 68 -10.801 41.977 56.064 1.00 0.00 ATOM 493 O LYS 68 -5.638 46.044 52.511 1.00 0.00 ATOM 494 C LYS 68 -6.028 46.647 53.523 1.00 0.00 ATOM 495 N SER 69 -6.121 47.975 53.586 1.00 0.00 ATOM 496 CA SER 69 -5.929 48.796 52.391 1.00 0.00 ATOM 497 CB SER 69 -6.347 50.231 52.659 1.00 0.00 ATOM 498 OG SER 69 -6.034 51.043 51.558 1.00 0.00 ATOM 499 O SER 69 -3.552 48.767 52.722 1.00 0.00 ATOM 500 C SER 69 -4.489 48.784 51.914 1.00 0.00 ATOM 501 N TRP 70 -4.304 48.803 50.592 1.00 0.00 ATOM 502 CA TRP 70 -2.937 48.936 50.026 1.00 0.00 ATOM 503 CB TRP 70 -2.858 48.254 48.668 1.00 0.00 ATOM 504 CG TRP 70 -3.005 46.795 48.832 1.00 0.00 ATOM 505 CD1 TRP 70 -4.083 46.031 48.486 1.00 0.00 ATOM 506 CD2 TRP 70 -2.091 45.929 49.508 1.00 0.00 ATOM 507 CE2 TRP 70 -2.655 44.643 49.498 1.00 0.00 ATOM 508 CE3 TRP 70 -0.838 46.119 50.118 1.00 0.00 ATOM 509 NE1 TRP 70 -3.872 44.730 48.867 1.00 0.00 ATOM 510 CZ2 TRP 70 -2.006 43.544 50.048 1.00 0.00 ATOM 511 CZ3 TRP 70 -0.197 45.033 50.661 1.00 0.00 ATOM 512 CH2 TRP 70 -0.776 43.754 50.604 1.00 0.00 ATOM 513 O TRP 70 -1.403 50.669 49.502 1.00 0.00 ATOM 514 C TRP 70 -2.497 50.382 49.947 1.00 0.00 ATOM 515 N ASN 71 -3.372 51.288 50.382 1.00 0.00 ATOM 516 CA ASN 71 -3.024 52.669 50.650 1.00 0.00 ATOM 517 CB ASN 71 -4.225 53.583 50.335 1.00 0.00 ATOM 518 CG ASN 71 -3.951 55.035 50.660 1.00 0.00 ATOM 519 ND2 ASN 71 -4.257 55.894 49.727 1.00 0.00 ATOM 520 OD1 ASN 71 -3.449 55.376 51.743 1.00 0.00 ATOM 521 O ASN 71 -3.472 52.537 53.005 1.00 0.00 ATOM 522 C ASN 71 -2.640 52.719 52.124 1.00 0.00 ATOM 523 N TYR 72 -1.359 52.952 52.395 1.00 0.00 ATOM 524 CA TYR 72 -0.846 52.880 53.743 1.00 0.00 ATOM 525 CB TYR 72 0.696 52.742 53.710 1.00 0.00 ATOM 526 CG TYR 72 1.223 51.392 53.117 1.00 0.00 ATOM 527 CD1 TYR 72 0.394 50.251 52.982 1.00 0.00 ATOM 528 CD2 TYR 72 2.570 51.263 52.731 1.00 0.00 ATOM 529 CE1 TYR 72 0.894 49.033 52.447 1.00 0.00 ATOM 530 CE2 TYR 72 3.074 50.059 52.208 1.00 0.00 ATOM 531 CZ TYR 72 2.239 48.952 52.070 1.00 0.00 ATOM 532 OH TYR 72 2.771 47.778 51.553 1.00 0.00 ATOM 533 O TYR 72 -1.415 53.676 55.936 1.00 0.00 ATOM 534 C TYR 72 -1.350 53.952 54.738 1.00 0.00 ATOM 535 N VAL 73 -1.752 55.127 54.280 1.00 0.00 ATOM 536 CA VAL 73 -2.397 56.095 55.199 1.00 0.00 ATOM 537 CB VAL 73 -2.541 57.486 54.577 1.00 0.00 ATOM 538 CG1 VAL 73 -3.348 58.405 55.486 1.00 0.00 ATOM 539 CG2 VAL 73 -1.178 58.074 54.300 1.00 0.00 ATOM 540 O VAL 73 -4.161 55.738 56.811 1.00 0.00 ATOM 541 C VAL 73 -3.783 55.576 55.668 1.00 0.00 ATOM 542 N GLU 74 -4.535 54.979 54.754 1.00 0.00 ATOM 543 CA GLU 74 -5.806 54.353 55.072 1.00 0.00 ATOM 544 CB GLU 74 -6.502 53.950 53.776 1.00 0.00 ATOM 545 CG GLU 74 -7.734 53.128 53.979 1.00 0.00 ATOM 546 CD GLU 74 -8.572 52.969 52.738 1.00 0.00 ATOM 547 OE1 GLU 74 -8.300 53.671 51.734 1.00 0.00 ATOM 548 OE2 GLU 74 -9.529 52.140 52.789 1.00 0.00 ATOM 549 O GLU 74 -6.334 53.009 56.993 1.00 0.00 ATOM 550 C GLU 74 -5.602 53.166 56.018 1.00 0.00 ATOM 551 N ALA 75 -4.596 52.336 55.743 1.00 0.00 ATOM 552 CA ALA 75 -4.292 51.183 56.602 1.00 0.00 ATOM 553 CB ALA 75 -3.205 50.338 56.003 1.00 0.00 ATOM 554 O ALA 75 -4.353 50.947 58.964 1.00 0.00 ATOM 555 C ALA 75 -3.928 51.592 58.014 1.00 0.00 ATOM 556 N SER 76 -3.216 52.702 58.154 1.00 0.00 ATOM 557 CA SER 76 -2.831 53.208 59.479 1.00 0.00 ATOM 558 CB SER 76 -1.828 54.379 59.379 1.00 0.00 ATOM 559 OG SER 76 -2.465 55.617 59.096 1.00 0.00 ATOM 560 O SER 76 -4.125 53.319 61.468 1.00 0.00 ATOM 561 C SER 76 -4.063 53.592 60.294 1.00 0.00 ATOM 562 N ILE 77 -5.058 54.182 59.642 1.00 0.00 ATOM 563 CA ILE 77 -6.378 54.491 60.251 1.00 0.00 ATOM 564 CB ILE 77 -7.214 55.295 59.242 1.00 0.00 ATOM 565 CG1 ILE 77 -6.545 56.666 59.039 1.00 0.00 ATOM 566 CG2 ILE 77 -8.650 55.451 59.675 1.00 0.00 ATOM 567 CD1 ILE 77 -7.135 57.499 57.904 1.00 0.00 ATOM 568 O ILE 77 -7.679 53.185 61.814 1.00 0.00 ATOM 569 C ILE 77 -7.125 53.229 60.710 1.00 0.00 ATOM 570 N GLY 78 -7.137 52.216 59.847 1.00 0.00 ATOM 571 CA GLY 78 -7.636 50.892 60.177 1.00 0.00 ATOM 572 O GLY 78 -7.676 49.733 62.231 1.00 0.00 ATOM 573 C GLY 78 -6.990 50.299 61.404 1.00 0.00 ATOM 574 N LEU 79 -5.663 50.398 61.525 1.00 0.00 ATOM 575 CA LEU 79 -4.998 49.915 62.738 1.00 0.00 ATOM 576 CB LEU 79 -3.477 49.810 62.531 1.00 0.00 ATOM 577 CG LEU 79 -2.645 49.248 63.700 1.00 0.00 ATOM 578 CD1 LEU 79 -3.103 47.851 64.141 1.00 0.00 ATOM 579 CD2 LEU 79 -1.175 49.218 63.285 1.00 0.00 ATOM 580 O LEU 79 -5.468 50.246 65.059 1.00 0.00 ATOM 581 C LEU 79 -5.313 50.776 63.969 1.00 0.00 ATOM 582 N ALA 80 -5.390 52.093 63.812 1.00 0.00 ATOM 583 CA ALA 80 -5.883 52.945 64.895 1.00 0.00 ATOM 584 CB ALA 80 -5.877 54.425 64.467 1.00 0.00 ATOM 585 O ALA 80 -7.490 52.362 66.624 1.00 0.00 ATOM 586 C ALA 80 -7.279 52.493 65.417 1.00 0.00 ATOM 587 N ALA 81 -8.190 52.160 64.507 1.00 0.00 ATOM 588 CA ALA 81 -9.508 51.671 64.870 1.00 0.00 ATOM 589 CB ALA 81 -10.374 51.508 63.618 1.00 0.00 ATOM 590 O ALA 81 -10.061 50.158 66.664 1.00 0.00 ATOM 591 C ALA 81 -9.430 50.336 65.622 1.00 0.00 ATOM 592 N ILE 82 -8.654 49.394 65.109 1.00 0.00 ATOM 593 CA ILE 82 -8.419 48.138 65.847 1.00 0.00 ATOM 594 CB ILE 82 -7.390 47.260 65.103 1.00 0.00 ATOM 595 CG1 ILE 82 -8.040 46.689 63.848 1.00 0.00 ATOM 596 CG2 ILE 82 -6.836 46.145 66.005 1.00 0.00 ATOM 597 CD1 ILE 82 -7.055 46.126 62.865 1.00 0.00 ATOM 598 O ILE 82 -8.461 47.801 68.245 1.00 0.00 ATOM 599 C ILE 82 -7.954 48.404 67.280 1.00 0.00 ATOM 600 N ASN 83 -7.008 49.335 67.419 1.00 0.00 ATOM 601 CA ASN 83 -6.376 49.568 68.722 1.00 0.00 ATOM 602 CB ASN 83 -5.007 50.242 68.553 1.00 0.00 ATOM 603 CG ASN 83 -3.957 49.293 67.972 1.00 0.00 ATOM 604 ND2 ASN 83 -3.006 49.844 67.247 1.00 0.00 ATOM 605 OD1 ASN 83 -4.016 48.084 68.167 1.00 0.00 ATOM 606 O ASN 83 -7.110 50.288 70.886 1.00 0.00 ATOM 607 C ASN 83 -7.280 50.356 69.663 1.00 0.00 ATOM 608 N ALA 84 -8.257 51.079 69.108 1.00 0.00 ATOM 609 CA ALA 84 -9.269 51.771 69.929 1.00 0.00 ATOM 610 CB ALA 84 -10.136 52.651 69.085 1.00 0.00 ATOM 611 O ALA 84 -10.500 51.025 71.790 1.00 0.00 ATOM 612 C ALA 84 -10.120 50.762 70.687 1.00 0.00 ATOM 613 N TYR 85 -10.407 49.599 70.103 1.00 0.00 ATOM 614 CA TYR 85 -11.068 48.524 70.879 1.00 0.00 ATOM 615 CB TYR 85 -11.667 47.459 69.994 1.00 0.00 ATOM 616 CG TYR 85 -12.192 46.300 70.796 1.00 0.00 ATOM 617 CD1 TYR 85 -13.266 46.465 71.677 1.00 0.00 ATOM 618 CD2 TYR 85 -11.640 45.044 70.670 1.00 0.00 ATOM 619 CE1 TYR 85 -13.746 45.406 72.418 1.00 0.00 ATOM 620 CE2 TYR 85 -12.129 43.974 71.403 1.00 0.00 ATOM 621 CZ TYR 85 -13.173 44.165 72.261 1.00 0.00 ATOM 622 OH TYR 85 -13.617 43.082 72.950 1.00 0.00 ATOM 623 O TYR 85 -10.180 48.002 73.039 1.00 0.00 ATOM 624 C TYR 85 -10.053 47.854 71.834 1.00 0.00 ATOM 625 N TYR 86 -9.068 47.129 71.296 1.00 0.00 ATOM 626 CA TYR 86 -8.223 46.250 72.145 1.00 0.00 ATOM 627 CB TYR 86 -7.294 45.412 71.282 1.00 0.00 ATOM 628 CG TYR 86 -8.009 44.414 70.404 1.00 0.00 ATOM 629 CD1 TYR 86 -8.440 43.195 70.921 1.00 0.00 ATOM 630 CD2 TYR 86 -8.237 44.674 69.051 1.00 0.00 ATOM 631 CE1 TYR 86 -9.109 42.276 70.135 1.00 0.00 ATOM 632 CE2 TYR 86 -8.917 43.746 68.252 1.00 0.00 ATOM 633 CZ TYR 86 -9.347 42.547 68.801 1.00 0.00 ATOM 634 OH TYR 86 -10.002 41.598 68.040 1.00 0.00 ATOM 635 O TYR 86 -7.176 46.375 74.347 1.00 0.00 ATOM 636 C TYR 86 -7.419 46.955 73.245 1.00 0.00 ATOM 637 N ASN 87 -7.033 48.200 72.964 1.00 0.00 ATOM 638 CA ASN 87 -6.171 48.971 73.864 1.00 0.00 ATOM 639 CB ASN 87 -5.029 49.704 73.109 1.00 0.00 ATOM 640 CG ASN 87 -4.148 48.766 72.291 1.00 0.00 ATOM 641 ND2 ASN 87 -3.162 49.338 71.594 1.00 0.00 ATOM 642 OD1 ASN 87 -4.362 47.554 72.260 1.00 0.00 ATOM 643 O ASN 87 -6.372 50.877 75.300 1.00 0.00 ATOM 644 C ASN 87 -6.952 49.966 74.698 1.00 0.00 ATOM 645 N ASN 88 -8.275 49.794 74.718 1.00 0.00 ATOM 646 CA ASN 88 -9.158 50.432 75.674 1.00 0.00 ATOM 647 CB ASN 88 -10.627 50.058 75.327 1.00 0.00 ATOM 648 CG ASN 88 -11.611 50.654 76.256 1.00 0.00 ATOM 649 ND2 ASN 88 -12.648 51.267 75.705 1.00 0.00 ATOM 650 OD1 ASN 88 -11.462 50.569 77.467 1.00 0.00 ATOM 651 O ASN 88 -8.574 48.671 77.172 1.00 0.00 ATOM 652 C ASN 88 -8.743 49.875 77.041 1.00 0.00 ATOM 653 N PRO 89 -8.557 50.740 78.057 1.00 0.00 ATOM 654 CA PRO 89 -8.068 50.211 79.342 1.00 0.00 ATOM 655 CB PRO 89 -8.003 51.460 80.244 1.00 0.00 ATOM 656 CG PRO 89 -8.876 52.460 79.598 1.00 0.00 ATOM 657 CD PRO 89 -8.775 52.194 78.118 1.00 0.00 ATOM 658 O PRO 89 -8.466 48.107 80.424 1.00 0.00 ATOM 659 C PRO 89 -8.976 49.117 79.943 1.00 0.00 ATOM 660 N GLN 90 -10.294 49.296 79.899 1.00 0.00 ATOM 661 CA GLN 90 -11.206 48.259 80.387 1.00 0.00 ATOM 662 CB GLN 90 -12.652 48.790 80.551 1.00 0.00 ATOM 663 O GLN 90 -11.279 45.875 80.078 1.00 0.00 ATOM 664 C GLN 90 -11.188 46.977 79.530 1.00 0.00 ATOM 665 N VAL 91 -11.058 47.100 78.206 1.00 0.00 ATOM 666 CA VAL 91 -11.066 45.913 77.340 1.00 0.00 ATOM 667 CB VAL 91 -11.160 46.272 75.832 1.00 0.00 ATOM 668 CG1 VAL 91 -10.847 45.048 74.960 1.00 0.00 ATOM 669 CG2 VAL 91 -12.532 46.851 75.491 1.00 0.00 ATOM 670 O VAL 91 -9.809 43.903 77.687 1.00 0.00 ATOM 671 C VAL 91 -9.791 45.125 77.568 1.00 0.00 ATOM 672 N ALA 92 -8.683 45.851 77.614 1.00 0.00 ATOM 673 CA ALA 92 -7.376 45.274 77.823 1.00 0.00 ATOM 674 CB ALA 92 -6.309 46.376 77.792 1.00 0.00 ATOM 675 O ALA 92 -6.867 43.376 79.186 1.00 0.00 ATOM 676 C ALA 92 -7.330 44.508 79.140 1.00 0.00 ATOM 677 N ARG 93 -7.820 45.132 80.200 1.00 0.00 ATOM 678 CA ARG 93 -7.934 44.474 81.508 1.00 0.00 ATOM 679 CB ARG 93 -8.506 45.444 82.542 1.00 0.00 ATOM 680 CG ARG 93 -7.498 46.497 83.000 1.00 0.00 ATOM 681 CD ARG 93 -7.618 46.803 84.497 1.00 0.00 ATOM 682 NE ARG 93 -6.587 47.745 84.952 1.00 0.00 ATOM 683 CZ ARG 93 -6.643 49.072 84.806 1.00 0.00 ATOM 684 NH1 ARG 93 -7.682 49.651 84.203 1.00 0.00 ATOM 685 NH2 ARG 93 -5.648 49.829 85.264 1.00 0.00 ATOM 686 O ARG 93 -8.358 42.168 82.015 1.00 0.00 ATOM 687 C ARG 93 -8.767 43.190 81.461 1.00 0.00 ATOM 688 N GLU 94 -9.909 43.236 80.777 1.00 0.00 ATOM 689 CA GLU 94 -10.756 42.048 80.584 1.00 0.00 ATOM 690 CB GLU 94 -12.057 42.425 79.869 1.00 0.00 ATOM 691 CG GLU 94 -12.993 43.277 80.717 1.00 0.00 ATOM 692 CD GLU 94 -14.095 43.974 79.918 1.00 0.00 ATOM 693 OE1 GLU 94 -14.017 44.010 78.664 1.00 0.00 ATOM 694 OE2 GLU 94 -15.047 44.489 80.558 1.00 0.00 ATOM 695 O GLU 94 -10.301 39.753 80.051 1.00 0.00 ATOM 696 C GLU 94 -10.040 40.928 79.816 1.00 0.00 ATOM 697 N HIS 95 -9.144 41.298 78.904 1.00 0.00 ATOM 698 CA HIS 95 -8.320 40.327 78.160 1.00 0.00 ATOM 699 CB HIS 95 -8.004 40.860 76.747 1.00 0.00 ATOM 700 CG HIS 95 -9.189 40.917 75.835 1.00 0.00 ATOM 701 CD2 HIS 95 -10.333 40.192 75.809 1.00 0.00 ATOM 702 ND1 HIS 95 -9.280 41.810 74.788 1.00 0.00 ATOM 703 CE1 HIS 95 -10.422 41.629 74.151 1.00 0.00 ATOM 704 NE2 HIS 95 -11.086 40.658 74.757 1.00 0.00 ATOM 705 O HIS 95 -6.140 39.285 78.276 1.00 0.00 ATOM 706 C HIS 95 -6.993 39.952 78.872 1.00 0.00 ATOM 707 N GLY 96 -6.812 40.390 80.125 1.00 0.00 ATOM 708 CA GLY 96 -5.663 39.979 80.953 1.00 0.00 ATOM 709 O GLY 96 -3.302 40.321 81.140 1.00 0.00 ATOM 710 C GLY 96 -4.394 40.811 80.840 1.00 0.00 ATOM 711 N VAL 97 -4.523 42.063 80.406 1.00 0.00 ATOM 712 CA VAL 97 -3.402 43.002 80.403 1.00 0.00 ATOM 713 CB VAL 97 -3.545 44.044 79.275 1.00 0.00 ATOM 714 CG1 VAL 97 -2.440 45.098 79.354 1.00 0.00 ATOM 715 CG2 VAL 97 -3.540 43.358 77.908 1.00 0.00 ATOM 716 O VAL 97 -4.377 44.189 82.251 1.00 0.00 ATOM 717 C VAL 97 -3.346 43.720 81.749 1.00 0.00 ATOM 718 N ILE 98 -2.148 43.808 82.329 1.00 0.00 ATOM 719 CA ILE 98 -1.969 44.440 83.646 1.00 0.00 ATOM 720 CB ILE 98 -1.281 43.484 84.661 1.00 0.00 ATOM 721 CG1 ILE 98 -2.043 42.152 84.770 1.00 0.00 ATOM 722 CG2 ILE 98 -1.182 44.142 86.037 1.00 0.00 ATOM 723 CD1 ILE 98 -3.496 42.277 85.248 1.00 0.00 ATOM 724 O ILE 98 -0.175 45.844 82.826 1.00 0.00 ATOM 725 C ILE 98 -1.190 45.762 83.533 1.00 0.00 ATOM 726 N PHE 99 -1.692 46.789 84.222 1.00 0.00 ATOM 727 CA PHE 99 -1.099 48.130 84.204 1.00 0.00 ATOM 728 CB PHE 99 -1.275 48.799 82.824 1.00 0.00 ATOM 729 CG PHE 99 -2.712 49.085 82.463 1.00 0.00 ATOM 730 CD1 PHE 99 -3.541 48.067 81.992 1.00 0.00 ATOM 731 CD2 PHE 99 -3.236 50.371 82.601 1.00 0.00 ATOM 732 CE1 PHE 99 -4.867 48.324 81.670 1.00 0.00 ATOM 733 CE2 PHE 99 -4.561 50.636 82.282 1.00 0.00 ATOM 734 CZ PHE 99 -5.377 49.612 81.813 1.00 0.00 ATOM 735 O PHE 99 -2.787 48.713 85.821 1.00 0.00 ATOM 736 C PHE 99 -1.708 49.010 85.308 1.00 0.00 ATOM 737 N SER 100 -0.999 50.085 85.657 1.00 0.00 ATOM 738 CA SER 100 -1.417 51.040 86.694 1.00 0.00 ATOM 739 CB SER 100 -0.187 51.543 87.466 1.00 0.00 ATOM 740 OG SER 100 -0.449 52.786 88.097 1.00 0.00 ATOM 741 O SER 100 -1.975 52.641 84.969 1.00 0.00 ATOM 742 C SER 100 -2.182 52.244 86.121 1.00 0.00 ATOM 743 N ASP 101 -3.059 52.820 86.942 1.00 0.00 ATOM 744 CA ASP 101 -3.753 54.062 86.600 1.00 0.00 ATOM 745 CB ASP 101 -5.192 54.038 87.130 1.00 0.00 ATOM 746 O ASP 101 -3.355 55.792 88.228 1.00 0.00 ATOM 747 C ASP 101 -2.982 55.250 87.184 1.00 0.00 ATOM 748 N ALA 102 -1.894 55.633 86.514 1.00 0.00 ATOM 749 CA ALA 102 -1.047 56.745 86.962 1.00 0.00 ATOM 750 CB ALA 102 -0.257 56.343 88.204 1.00 0.00 ATOM 751 O ALA 102 0.466 58.306 85.933 1.00 0.00 ATOM 752 C ALA 102 -0.098 57.213 85.858 1.00 0.00 ATOM 753 N ASN 110 8.947 46.382 81.330 1.00 0.00 ATOM 754 CA ASN 110 8.388 47.506 80.561 1.00 0.00 ATOM 755 CB ASN 110 8.809 48.851 81.209 1.00 0.00 ATOM 756 CG ASN 110 10.288 48.868 81.677 1.00 0.00 ATOM 757 ND2 ASN 110 10.686 49.969 82.297 1.00 0.00 ATOM 758 OD1 ASN 110 11.051 47.920 81.458 1.00 0.00 ATOM 759 O ASN 110 7.943 46.997 78.209 1.00 0.00 ATOM 760 C ASN 110 8.743 47.458 79.043 1.00 0.00 ATOM 761 N ASP 111 9.944 47.939 78.715 1.00 0.00 ATOM 762 CA ASP 111 10.518 47.895 77.375 1.00 0.00 ATOM 763 CB ASP 111 11.782 48.770 77.380 1.00 0.00 ATOM 764 CG ASP 111 12.487 48.822 76.037 1.00 0.00 ATOM 765 OD1 ASP 111 12.839 47.760 75.470 1.00 0.00 ATOM 766 OD2 ASP 111 12.723 49.944 75.560 1.00 0.00 ATOM 767 O ASP 111 11.603 45.812 77.820 1.00 0.00 ATOM 768 C ASP 111 10.885 46.453 77.045 1.00 0.00 ATOM 769 N PRO 112 10.449 45.939 75.885 1.00 0.00 ATOM 770 CA PRO 112 10.656 44.517 75.616 1.00 0.00 ATOM 771 CB PRO 112 9.784 44.262 74.386 1.00 0.00 ATOM 772 CG PRO 112 9.731 45.542 73.705 1.00 0.00 ATOM 773 CD PRO 112 9.797 46.612 74.756 1.00 0.00 ATOM 774 O PRO 112 12.486 42.993 75.469 1.00 0.00 ATOM 775 C PRO 112 12.105 44.155 75.314 1.00 0.00 ATOM 776 N PHE 113 12.892 45.132 74.871 1.00 0.00 ATOM 777 CA PHE 113 14.288 44.882 74.495 1.00 0.00 ATOM 778 CB PHE 113 14.822 45.983 73.570 1.00 0.00 ATOM 779 CG PHE 113 14.082 46.086 72.245 1.00 0.00 ATOM 780 CD1 PHE 113 14.131 45.051 71.322 1.00 0.00 ATOM 781 CD2 PHE 113 13.335 47.220 71.927 1.00 0.00 ATOM 782 CE1 PHE 113 13.436 45.140 70.099 1.00 0.00 ATOM 783 CE2 PHE 113 12.648 47.319 70.720 1.00 0.00 ATOM 784 CZ PHE 113 12.707 46.286 69.798 1.00 0.00 ATOM 785 O PHE 113 15.905 43.855 75.947 1.00 0.00 ATOM 786 C PHE 113 15.096 44.773 75.781 1.00 0.00 ATOM 787 N ILE 114 14.822 45.683 76.712 1.00 0.00 ATOM 788 CA ILE 114 15.412 45.641 78.050 1.00 0.00 ATOM 789 CB ILE 114 15.102 46.918 78.836 1.00 0.00 ATOM 790 CG1 ILE 114 15.971 48.059 78.302 1.00 0.00 ATOM 791 CG2 ILE 114 15.378 46.739 80.341 1.00 0.00 ATOM 792 CD1 ILE 114 15.338 49.408 78.471 1.00 0.00 ATOM 793 O ILE 114 15.802 43.750 79.440 1.00 0.00 ATOM 794 C ILE 114 14.973 44.421 78.832 1.00 0.00 ATOM 795 N MET 115 13.684 44.126 78.819 1.00 0.00 ATOM 796 CA MET 115 13.173 42.906 79.449 1.00 0.00 ATOM 797 CB MET 115 11.726 42.673 79.041 1.00 0.00 ATOM 798 CG MET 115 10.681 43.483 79.752 1.00 0.00 ATOM 799 SD MET 115 8.956 42.927 78.964 1.00 0.00 ATOM 800 CE MET 115 8.325 41.806 80.501 1.00 0.00 ATOM 801 O MET 115 14.029 40.717 79.873 1.00 0.00 ATOM 802 C MET 115 13.911 41.625 79.059 1.00 0.00 ATOM 803 N SER 116 14.348 41.526 77.803 1.00 0.00 ATOM 804 CA SER 116 14.855 40.258 77.264 1.00 0.00 ATOM 805 CB SER 116 14.110 39.905 75.963 1.00 0.00 ATOM 806 OG SER 116 14.068 41.001 75.067 1.00 0.00 ATOM 807 O SER 116 16.877 39.348 76.357 1.00 0.00 ATOM 808 C SER 116 16.373 40.218 77.062 1.00 0.00 ATOM 809 N GLN 117 17.104 41.121 77.713 1.00 0.00 ATOM 810 CA GLN 117 18.565 41.173 77.581 1.00 0.00 ATOM 811 CB GLN 117 19.157 42.297 78.414 1.00 0.00 ATOM 812 CG GLN 117 18.780 43.686 77.987 1.00 0.00 ATOM 813 CD GLN 117 19.281 44.696 78.996 1.00 0.00 ATOM 814 OE1 GLN 117 18.547 45.141 79.885 1.00 0.00 ATOM 815 NE2 GLN 117 20.555 45.016 78.901 1.00 0.00 ATOM 816 O GLN 117 20.084 39.347 77.369 1.00 0.00 ATOM 817 C GLN 117 19.223 39.890 78.052 1.00 0.00 ATOM 818 N ASN 118 18.839 39.431 79.239 1.00 0.00 ATOM 819 CA ASN 118 19.350 38.163 79.754 1.00 0.00 ATOM 820 CB ASN 118 18.807 37.902 81.161 1.00 0.00 ATOM 821 CG ASN 118 19.546 38.695 82.212 1.00 0.00 ATOM 822 ND2 ASN 118 18.822 39.531 82.947 1.00 0.00 ATOM 823 OD1 ASN 118 20.763 38.564 82.358 1.00 0.00 ATOM 824 O ASN 118 19.930 36.190 78.511 1.00 0.00 ATOM 825 C ASN 118 19.048 36.981 78.834 1.00 0.00 ATOM 826 N GLU 119 17.808 36.897 78.381 1.00 0.00 ATOM 827 CA GLU 119 17.353 35.770 77.574 1.00 0.00 ATOM 828 CB GLU 119 15.876 35.917 77.306 1.00 0.00 ATOM 829 CG GLU 119 15.204 34.614 77.048 1.00 0.00 ATOM 830 CD GLU 119 13.737 34.806 76.899 1.00 0.00 ATOM 831 OE1 GLU 119 13.370 35.874 76.367 1.00 0.00 ATOM 832 OE2 GLU 119 12.970 33.913 77.321 1.00 0.00 ATOM 833 O GLU 119 18.274 34.484 75.781 1.00 0.00 ATOM 834 C GLU 119 18.047 35.605 76.225 1.00 0.00 ATOM 835 N VAL 120 18.370 36.726 75.580 1.00 0.00 ATOM 836 CA VAL 120 18.943 36.711 74.236 1.00 0.00 ATOM 837 CB VAL 120 18.443 37.910 73.396 1.00 0.00 ATOM 838 CG1 VAL 120 16.934 37.949 73.370 1.00 0.00 ATOM 839 CG2 VAL 120 19.014 39.234 73.913 1.00 0.00 ATOM 840 O VAL 120 21.037 36.673 73.119 1.00 0.00 ATOM 841 C VAL 120 20.463 36.680 74.200 1.00 0.00 ATOM 842 N LYS 121 21.108 36.665 75.367 1.00 0.00 ATOM 843 CA LYS 121 22.557 36.670 75.462 1.00 0.00 ATOM 844 CB LYS 121 23.015 36.559 76.939 1.00 0.00 ATOM 845 CG LYS 121 23.151 37.882 77.696 1.00 0.00 ATOM 846 CD LYS 121 24.070 37.734 78.940 1.00 0.00 ATOM 847 CE LYS 121 24.831 39.040 79.275 1.00 0.00 ATOM 848 NZ LYS 121 23.918 40.186 79.602 1.00 0.00 ATOM 849 O LYS 121 22.749 34.358 74.947 1.00 0.00 ATOM 850 C LYS 121 23.140 35.489 74.697 1.00 0.00 ATOM 851 N GLY 122 24.069 35.764 73.784 1.00 0.00 ATOM 852 CA GLY 122 24.727 34.744 72.975 1.00 0.00 ATOM 853 O GLY 122 24.299 33.219 71.191 1.00 0.00 ATOM 854 C GLY 122 23.871 34.137 71.871 1.00 0.00 ATOM 855 N LYS 123 22.670 34.660 71.669 1.00 0.00 ATOM 856 CA LYS 123 21.730 34.083 70.710 1.00 0.00 ATOM 857 CB LYS 123 20.356 33.942 71.352 1.00 0.00 ATOM 858 CG LYS 123 20.341 33.117 72.616 1.00 0.00 ATOM 859 CD LYS 123 20.894 31.724 72.388 1.00 0.00 ATOM 860 CE LYS 123 20.390 30.769 73.439 1.00 0.00 ATOM 861 NZ LYS 123 21.176 29.497 73.450 1.00 0.00 ATOM 862 O LYS 123 22.149 36.042 69.399 1.00 0.00 ATOM 863 C LYS 123 21.640 34.926 69.454 1.00 0.00 ATOM 864 N LYS 124 21.033 34.355 68.430 1.00 0.00 ATOM 865 CA LYS 124 20.805 35.074 67.191 1.00 0.00 ATOM 866 CB LYS 124 20.911 34.146 65.984 1.00 0.00 ATOM 867 CG LYS 124 20.852 34.913 64.664 1.00 0.00 ATOM 868 CD LYS 124 21.500 34.164 63.483 1.00 0.00 ATOM 869 CE LYS 124 21.337 34.946 62.147 1.00 0.00 ATOM 870 NZ LYS 124 22.286 36.088 62.046 1.00 0.00 ATOM 871 O LYS 124 18.383 35.221 67.349 1.00 0.00 ATOM 872 C LYS 124 19.464 35.816 67.201 1.00 0.00 ATOM 873 N VAL 125 19.544 37.125 67.030 1.00 0.00 ATOM 874 CA VAL 125 18.373 38.005 67.175 1.00 0.00 ATOM 875 CB VAL 125 18.540 38.973 68.378 1.00 0.00 ATOM 876 CG1 VAL 125 17.355 39.929 68.489 1.00 0.00 ATOM 877 CG2 VAL 125 18.734 38.186 69.674 1.00 0.00 ATOM 878 O VAL 125 19.015 39.450 65.318 1.00 0.00 ATOM 879 C VAL 125 18.110 38.830 65.902 1.00 0.00 ATOM 880 N GLY 126 16.862 38.821 65.460 1.00 0.00 ATOM 881 CA GLY 126 16.476 39.556 64.267 1.00 0.00 ATOM 882 O GLY 126 14.478 40.250 65.355 1.00 0.00 ATOM 883 C GLY 126 15.453 40.591 64.684 1.00 0.00 ATOM 884 N VAL 127 15.667 41.840 64.275 1.00 0.00 ATOM 885 CA VAL 127 14.738 42.955 64.539 1.00 0.00 ATOM 886 CB VAL 127 15.389 44.048 65.415 1.00 0.00 ATOM 887 CG1 VAL 127 14.407 45.225 65.602 1.00 0.00 ATOM 888 CG2 VAL 127 15.821 43.468 66.777 1.00 0.00 ATOM 889 O VAL 127 15.124 44.020 62.436 1.00 0.00 ATOM 890 C VAL 127 14.298 43.601 63.228 1.00 0.00 ATOM 891 N VAL 128 12.985 43.689 63.010 1.00 0.00 ATOM 892 CA VAL 128 12.437 44.373 61.847 1.00 0.00 ATOM 893 CB VAL 128 11.366 43.524 61.156 1.00 0.00 ATOM 894 CG1 VAL 128 10.776 44.236 59.955 1.00 0.00 ATOM 895 CG2 VAL 128 11.922 42.170 60.739 1.00 0.00 ATOM 896 O VAL 128 10.907 45.723 63.111 1.00 0.00 ATOM 897 C VAL 128 11.820 45.709 62.306 1.00 0.00 ATOM 898 N GLY 129 12.350 46.811 61.777 1.00 0.00 ATOM 899 CA GLY 129 11.922 48.145 62.122 1.00 0.00 ATOM 900 O GLY 129 14.117 48.501 63.049 1.00 0.00 ATOM 901 C GLY 129 13.021 48.985 62.694 1.00 0.00 ATOM 902 N HIS 130 12.725 50.265 62.780 1.00 0.00 ATOM 903 CA HIS 130 13.636 51.227 63.354 1.00 0.00 ATOM 904 CB HIS 130 13.624 52.523 62.548 1.00 0.00 ATOM 905 CG HIS 130 14.568 53.551 63.080 1.00 0.00 ATOM 906 CD2 HIS 130 15.917 53.536 63.208 1.00 0.00 ATOM 907 ND1 HIS 130 14.141 54.741 63.634 1.00 0.00 ATOM 908 CE1 HIS 130 15.192 55.430 64.048 1.00 0.00 ATOM 909 NE2 HIS 130 16.281 54.723 63.799 1.00 0.00 ATOM 910 O HIS 130 12.145 51.945 65.127 1.00 0.00 ATOM 911 C HIS 130 13.250 51.479 64.832 1.00 0.00 ATOM 912 N PHE 131 14.139 51.087 65.741 1.00 0.00 ATOM 913 CA PHE 131 13.979 51.329 67.179 1.00 0.00 ATOM 914 CB PHE 131 13.832 50.007 67.917 1.00 0.00 ATOM 915 CG PHE 131 12.614 49.221 67.470 1.00 0.00 ATOM 916 CD1 PHE 131 11.369 49.524 67.967 1.00 0.00 ATOM 917 CD2 PHE 131 12.721 48.241 66.492 1.00 0.00 ATOM 918 CE1 PHE 131 10.243 48.819 67.538 1.00 0.00 ATOM 919 CE2 PHE 131 11.602 47.555 66.052 1.00 0.00 ATOM 920 CZ PHE 131 10.371 47.838 66.588 1.00 0.00 ATOM 921 O PHE 131 16.329 51.636 67.656 1.00 0.00 ATOM 922 C PHE 131 15.182 52.116 67.697 1.00 0.00 ATOM 923 N PRO 132 14.947 53.330 68.191 1.00 0.00 ATOM 924 CA PRO 132 16.106 54.100 68.639 1.00 0.00 ATOM 925 CB PRO 132 15.475 55.350 69.265 1.00 0.00 ATOM 926 CG PRO 132 14.145 55.463 68.657 1.00 0.00 ATOM 927 CD PRO 132 13.688 54.079 68.334 1.00 0.00 ATOM 928 O PRO 132 16.484 52.681 70.551 1.00 0.00 ATOM 929 C PRO 132 16.995 53.363 69.655 1.00 0.00 ATOM 930 N HIS 133 18.312 53.491 69.485 1.00 0.00 ATOM 931 CA HIS 133 19.345 53.007 70.442 1.00 0.00 ATOM 932 CB HIS 133 19.106 53.547 71.848 1.00 0.00 ATOM 933 CG HIS 133 18.712 54.970 71.865 1.00 0.00 ATOM 934 CD2 HIS 133 17.674 55.602 72.453 1.00 0.00 ATOM 935 ND1 HIS 133 19.416 55.928 71.179 1.00 0.00 ATOM 936 CE1 HIS 133 18.826 57.095 71.341 1.00 0.00 ATOM 937 NE2 HIS 133 17.774 56.927 72.119 1.00 0.00 ATOM 938 O HIS 133 20.211 51.027 71.382 1.00 0.00 ATOM 939 C HIS 133 19.473 51.510 70.558 1.00 0.00 ATOM 940 N LEU 134 18.753 50.777 69.732 1.00 0.00 ATOM 941 CA LEU 134 18.648 49.337 69.903 1.00 0.00 ATOM 942 CB LEU 134 17.641 48.777 68.886 1.00 0.00 ATOM 943 CG LEU 134 17.370 47.290 69.012 1.00 0.00 ATOM 944 CD1 LEU 134 16.776 47.000 70.393 1.00 0.00 ATOM 945 CD2 LEU 134 16.466 46.843 67.915 1.00 0.00 ATOM 946 O LEU 134 20.335 47.737 70.529 1.00 0.00 ATOM 947 C LEU 134 20.003 48.655 69.767 1.00 0.00 ATOM 948 N GLU 135 20.801 49.153 68.828 1.00 0.00 ATOM 949 CA GLU 135 22.155 48.694 68.588 1.00 0.00 ATOM 950 CB GLU 135 22.758 49.525 67.453 1.00 0.00 ATOM 951 CG GLU 135 24.172 49.296 67.095 1.00 0.00 ATOM 952 O GLU 135 23.780 47.843 70.130 1.00 0.00 ATOM 953 C GLU 135 23.010 48.755 69.842 1.00 0.00 ATOM 954 N SER 136 22.876 49.836 70.594 1.00 0.00 ATOM 955 CA SER 136 23.582 49.982 71.838 1.00 0.00 ATOM 956 CB SER 136 23.370 51.407 72.339 1.00 0.00 ATOM 957 OG SER 136 24.045 52.327 71.516 1.00 0.00 ATOM 958 O SER 136 23.928 48.597 73.755 1.00 0.00 ATOM 959 C SER 136 23.132 48.989 72.927 1.00 0.00 ATOM 960 N LEU 137 21.844 48.658 72.954 1.00 0.00 ATOM 961 CA LEU 137 21.279 47.747 73.980 1.00 0.00 ATOM 962 CB LEU 137 19.767 47.950 74.105 1.00 0.00 ATOM 963 O LEU 137 22.005 45.533 74.548 1.00 0.00 ATOM 964 C LEU 137 21.577 46.287 73.676 1.00 0.00 ATOM 965 N LEU 138 21.439 45.911 72.413 1.00 0.00 ATOM 966 CA LEU 138 21.511 44.511 72.026 1.00 0.00 ATOM 967 CB LEU 138 20.309 44.176 71.114 1.00 0.00 ATOM 968 CG LEU 138 18.950 44.006 71.778 1.00 0.00 ATOM 969 CD1 LEU 138 17.974 43.435 70.748 1.00 0.00 ATOM 970 CD2 LEU 138 19.023 43.117 73.008 1.00 0.00 ATOM 971 O LEU 138 23.236 42.935 71.574 1.00 0.00 ATOM 972 C LEU 138 22.805 44.059 71.364 1.00 0.00 ATOM 973 N GLU 139 23.444 44.893 70.554 1.00 0.00 ATOM 974 CA GLU 139 24.605 44.406 69.811 1.00 0.00 ATOM 975 CB GLU 139 25.163 45.447 68.826 1.00 0.00 ATOM 976 CG GLU 139 26.170 44.862 67.772 1.00 0.00 ATOM 977 CD GLU 139 25.600 43.671 66.906 1.00 0.00 ATOM 978 OE1 GLU 139 25.602 42.478 67.367 1.00 0.00 ATOM 979 OE2 GLU 139 25.177 43.932 65.740 1.00 0.00 ATOM 980 O GLU 139 26.358 42.846 70.289 1.00 0.00 ATOM 981 C GLU 139 25.755 43.849 70.675 1.00 0.00 ATOM 982 N PRO 140 26.046 44.470 71.838 1.00 0.00 ATOM 983 CA PRO 140 27.136 43.950 72.682 1.00 0.00 ATOM 984 CB PRO 140 27.214 44.971 73.816 1.00 0.00 ATOM 985 CG PRO 140 26.461 46.169 73.320 1.00 0.00 ATOM 986 CD PRO 140 25.428 45.667 72.431 1.00 0.00 ATOM 987 O PRO 140 27.857 41.841 73.516 1.00 0.00 ATOM 988 C PRO 140 26.896 42.551 73.264 1.00 0.00 ATOM 989 N ILE 141 25.632 42.154 73.424 1.00 0.00 ATOM 990 CA ILE 141 25.273 40.891 74.097 1.00 0.00 ATOM 991 CB ILE 141 24.233 41.123 75.218 1.00 0.00 ATOM 992 CG1 ILE 141 22.893 41.567 74.659 1.00 0.00 ATOM 993 CG2 ILE 141 24.775 42.143 76.239 1.00 0.00 ATOM 994 CD1 ILE 141 21.851 41.790 75.725 1.00 0.00 ATOM 995 O ILE 141 24.583 38.654 73.673 1.00 0.00 ATOM 996 C ILE 141 24.738 39.769 73.205 1.00 0.00 ATOM 997 N CYS 142 24.448 40.036 71.940 1.00 0.00 ATOM 998 CA CYS 142 23.932 39.003 71.069 1.00 0.00 ATOM 999 CB CYS 142 22.408 38.929 71.170 1.00 0.00 ATOM 1000 SG CYS 142 21.452 40.351 70.517 1.00 0.00 ATOM 1001 O CYS 142 25.104 40.176 69.339 1.00 0.00 ATOM 1002 C CYS 142 24.393 39.207 69.642 1.00 0.00 ATOM 1003 N ASP 143 24.047 38.246 68.792 1.00 0.00 ATOM 1004 CA ASP 143 24.263 38.319 67.352 1.00 0.00 ATOM 1005 CB ASP 143 24.494 36.905 66.797 1.00 0.00 ATOM 1006 CG ASP 143 24.681 36.863 65.276 1.00 0.00 ATOM 1007 OD1 ASP 143 24.670 37.926 64.620 1.00 0.00 ATOM 1008 OD2 ASP 143 24.825 35.730 64.741 1.00 0.00 ATOM 1009 O ASP 143 21.996 38.354 66.465 1.00 0.00 ATOM 1010 C ASP 143 23.008 38.996 66.748 1.00 0.00 ATOM 1011 N LEU 144 23.110 40.305 66.571 1.00 0.00 ATOM 1012 CA LEU 144 21.976 41.142 66.181 1.00 0.00 ATOM 1013 CB LEU 144 22.019 42.467 66.949 1.00 0.00 ATOM 1014 CG LEU 144 20.928 43.506 66.628 1.00 0.00 ATOM 1015 CD1 LEU 144 19.568 43.036 67.018 1.00 0.00 ATOM 1016 CD2 LEU 144 21.295 44.822 67.297 1.00 0.00 ATOM 1017 O LEU 144 22.998 41.861 64.141 1.00 0.00 ATOM 1018 C LEU 144 21.968 41.448 64.696 1.00 0.00 ATOM 1019 N SER 145 20.803 41.253 64.070 1.00 0.00 ATOM 1020 CA SER 145 20.525 41.794 62.728 1.00 0.00 ATOM 1021 CB SER 145 20.304 40.681 61.728 1.00 0.00 ATOM 1022 OG SER 145 21.419 39.833 61.638 1.00 0.00 ATOM 1023 O SER 145 18.210 42.254 63.165 1.00 0.00 ATOM 1024 C SER 145 19.286 42.687 62.727 1.00 0.00 ATOM 1025 N ILE 146 19.457 43.913 62.228 1.00 0.00 ATOM 1026 CA ILE 146 18.390 44.908 62.087 1.00 0.00 ATOM 1027 CB ILE 146 18.763 46.289 62.654 1.00 0.00 ATOM 1028 CG1 ILE 146 18.993 46.185 64.177 1.00 0.00 ATOM 1029 CG2 ILE 146 17.621 47.327 62.382 1.00 0.00 ATOM 1030 CD1 ILE 146 19.707 47.334 64.759 1.00 0.00 ATOM 1031 O ILE 146 18.967 45.106 59.784 1.00 0.00 ATOM 1032 C ILE 146 18.060 45.008 60.609 1.00 0.00 ATOM 1033 N LEU 147 16.770 44.891 60.300 1.00 0.00 ATOM 1034 CA LEU 147 16.218 44.931 58.932 1.00 0.00 ATOM 1035 CB LEU 147 15.483 43.633 58.627 1.00 0.00 ATOM 1036 CG LEU 147 16.282 42.325 58.583 1.00 0.00 ATOM 1037 CD1 LEU 147 16.302 41.608 59.928 1.00 0.00 ATOM 1038 CD2 LEU 147 15.680 41.430 57.588 1.00 0.00 ATOM 1039 O LEU 147 14.384 46.184 59.738 1.00 0.00 ATOM 1040 C LEU 147 15.246 46.066 58.866 1.00 0.00 ATOM 1041 N GLU 148 15.383 46.924 57.851 1.00 0.00 ATOM 1042 CA GLU 148 14.489 48.078 57.651 1.00 0.00 ATOM 1043 CB GLU 148 15.146 49.352 58.183 1.00 0.00 ATOM 1044 CG GLU 148 15.471 49.344 59.684 1.00 0.00 ATOM 1045 CD GLU 148 16.478 50.424 60.075 1.00 0.00 ATOM 1046 OE1 GLU 148 17.482 50.580 59.370 1.00 0.00 ATOM 1047 OE2 GLU 148 16.266 51.111 61.098 1.00 0.00 ATOM 1048 O GLU 148 14.993 47.921 55.309 1.00 0.00 ATOM 1049 C GLU 148 14.200 48.291 56.165 1.00 0.00 ATOM 1050 N TRP 149 13.085 48.943 55.849 1.00 0.00 ATOM 1051 CA TRP 149 12.778 49.363 54.464 1.00 0.00 ATOM 1052 CB TRP 149 11.474 50.178 54.377 1.00 0.00 ATOM 1053 CG TRP 149 10.248 49.345 54.306 1.00 0.00 ATOM 1054 CD1 TRP 149 9.214 49.317 55.213 1.00 0.00 ATOM 1055 CD2 TRP 149 9.894 48.418 53.264 1.00 0.00 ATOM 1056 CE2 TRP 149 8.632 47.855 53.613 1.00 0.00 ATOM 1057 CE3 TRP 149 10.520 47.998 52.075 1.00 0.00 ATOM 1058 NE1 TRP 149 8.246 48.420 54.800 1.00 0.00 ATOM 1059 CZ2 TRP 149 7.988 46.897 52.815 1.00 0.00 ATOM 1060 CZ3 TRP 149 9.872 47.038 51.269 1.00 0.00 ATOM 1061 CH2 TRP 149 8.617 46.496 51.654 1.00 0.00 ATOM 1062 O TRP 149 14.250 50.013 52.766 1.00 0.00 ATOM 1063 C TRP 149 13.858 50.205 53.913 1.00 0.00 ATOM 1064 N SER 150 14.308 51.178 54.706 1.00 0.00 ATOM 1065 CA SER 150 15.356 52.092 54.293 1.00 0.00 ATOM 1066 CB SER 150 14.830 53.545 54.226 1.00 0.00 ATOM 1067 OG SER 150 13.765 53.672 53.295 1.00 0.00 ATOM 1068 O SER 150 16.519 52.754 56.259 1.00 0.00 ATOM 1069 C SER 150 16.481 51.996 55.294 1.00 0.00 ATOM 1070 N PRO 151 17.406 51.051 55.089 1.00 0.00 ATOM 1071 CA PRO 151 18.334 50.761 56.166 1.00 0.00 ATOM 1072 CB PRO 151 18.983 49.454 55.716 1.00 0.00 ATOM 1073 CG PRO 151 18.827 49.433 54.242 1.00 0.00 ATOM 1074 CD PRO 151 17.611 50.188 53.914 1.00 0.00 ATOM 1075 O PRO 151 19.942 52.425 55.511 1.00 0.00 ATOM 1076 C PRO 151 19.402 51.822 56.441 1.00 0.00 ATOM 1077 N GLU 152 19.736 51.993 57.721 1.00 0.00 ATOM 1078 CA GLU 152 20.875 52.812 58.125 1.00 0.00 ATOM 1079 CB GLU 152 20.804 53.190 59.605 1.00 0.00 ATOM 1080 CG GLU 152 19.471 53.743 60.130 1.00 0.00 ATOM 1081 CD GLU 152 19.505 53.884 61.660 1.00 0.00 ATOM 1082 OE1 GLU 152 20.290 54.726 62.166 1.00 0.00 ATOM 1083 OE2 GLU 152 18.765 53.137 62.346 1.00 0.00 ATOM 1084 O GLU 152 22.057 50.807 57.637 1.00 0.00 ATOM 1085 C GLU 152 22.123 51.998 57.920 1.00 0.00 ATOM 1086 N GLU 153 23.275 52.614 58.150 1.00 0.00 ATOM 1087 CA GLU 153 24.523 52.046 57.702 1.00 0.00 ATOM 1088 CB GLU 153 25.706 52.950 58.114 1.00 0.00 ATOM 1089 CG GLU 153 26.988 52.510 57.462 1.00 0.00 ATOM 1090 CD GLU 153 28.210 53.142 58.078 1.00 0.00 ATOM 1091 OE1 GLU 153 28.194 54.392 58.197 1.00 0.00 ATOM 1092 OE2 GLU 153 29.169 52.384 58.419 1.00 0.00 ATOM 1093 O GLU 153 25.228 49.760 57.258 1.00 0.00 ATOM 1094 C GLU 153 24.804 50.580 58.102 1.00 0.00 ATOM 1095 N GLY 154 24.632 50.218 59.359 1.00 0.00 ATOM 1096 CA GLY 154 24.892 48.792 59.721 1.00 0.00 ATOM 1097 O GLY 154 23.899 46.600 59.771 1.00 0.00 ATOM 1098 C GLY 154 23.773 47.779 59.446 1.00 0.00 ATOM 1099 N ASP 155 22.680 48.229 58.839 1.00 0.00 ATOM 1100 CA ASP 155 21.449 47.468 58.800 1.00 0.00 ATOM 1101 CB ASP 155 20.289 48.378 59.192 1.00 0.00 ATOM 1102 CG ASP 155 20.492 49.060 60.563 1.00 0.00 ATOM 1103 OD1 ASP 155 21.290 48.554 61.381 1.00 0.00 ATOM 1104 OD2 ASP 155 19.840 50.106 60.808 1.00 0.00 ATOM 1105 O ASP 155 21.753 47.227 56.430 1.00 0.00 ATOM 1106 C ASP 155 21.163 46.850 57.438 1.00 0.00 ATOM 1107 N TYR 156 20.214 45.914 57.420 1.00 0.00 ATOM 1108 CA TYR 156 19.879 45.172 56.211 1.00 0.00 ATOM 1109 CB TYR 156 19.663 43.703 56.529 1.00 0.00 ATOM 1110 CG TYR 156 20.871 43.011 57.032 1.00 0.00 ATOM 1111 CD1 TYR 156 21.177 42.990 58.393 1.00 0.00 ATOM 1112 CD2 TYR 156 21.712 42.365 56.152 1.00 0.00 ATOM 1113 CE1 TYR 156 22.309 42.319 58.854 1.00 0.00 ATOM 1114 CE2 TYR 156 22.826 41.697 56.594 1.00 0.00 ATOM 1115 CZ TYR 156 23.126 41.674 57.932 1.00 0.00 ATOM 1116 OH TYR 156 24.270 40.988 58.317 1.00 0.00 ATOM 1117 O TYR 156 17.720 46.098 56.357 1.00 0.00 ATOM 1118 C TYR 156 18.613 45.687 55.617 1.00 0.00 ATOM 1119 N PRO 157 18.492 45.623 54.287 1.00 0.00 ATOM 1120 CA PRO 157 17.197 45.929 53.703 1.00 0.00 ATOM 1121 CB PRO 157 17.539 46.130 52.220 1.00 0.00 ATOM 1122 CG PRO 157 18.671 45.306 51.989 1.00 0.00 ATOM 1123 CD PRO 157 19.480 45.293 53.244 1.00 0.00 ATOM 1124 O PRO 157 16.589 43.678 54.278 1.00 0.00 ATOM 1125 C PRO 157 16.212 44.799 53.948 1.00 0.00 ATOM 1126 N LEU 158 14.941 45.099 53.820 1.00 0.00 ATOM 1127 CA LEU 158 13.898 44.183 54.143 1.00 0.00 ATOM 1128 CB LEU 158 12.537 44.893 54.013 1.00 0.00 ATOM 1129 CG LEU 158 11.500 44.198 54.861 1.00 0.00 ATOM 1130 CD1 LEU 158 11.870 44.313 56.347 1.00 0.00 ATOM 1131 CD2 LEU 158 10.080 44.753 54.561 1.00 0.00 ATOM 1132 O LEU 158 13.557 41.810 54.002 1.00 0.00 ATOM 1133 C LEU 158 13.879 42.831 53.397 1.00 0.00 ATOM 1134 N PRO 159 14.230 42.797 52.099 1.00 0.00 ATOM 1135 CA PRO 159 14.329 41.467 51.466 1.00 0.00 ATOM 1136 CB PRO 159 14.807 41.802 50.034 1.00 0.00 ATOM 1137 CG PRO 159 14.360 43.218 49.784 1.00 0.00 ATOM 1138 CD PRO 159 14.485 43.885 51.136 1.00 0.00 ATOM 1139 O PRO 159 15.216 39.268 51.878 1.00 0.00 ATOM 1140 C PRO 159 15.294 40.465 52.149 1.00 0.00 ATOM 1141 N ALA 160 16.211 40.940 52.982 1.00 0.00 ATOM 1142 CA ALA 160 17.116 40.066 53.715 1.00 0.00 ATOM 1143 CB ALA 160 18.267 40.868 54.364 1.00 0.00 ATOM 1144 O ALA 160 16.949 38.257 55.244 1.00 0.00 ATOM 1145 C ALA 160 16.398 39.221 54.762 1.00 0.00 ATOM 1146 N SER 161 15.165 39.564 55.082 1.00 0.00 ATOM 1147 CA SER 161 14.331 38.768 55.992 1.00 0.00 ATOM 1148 CB SER 161 12.948 39.398 56.119 1.00 0.00 ATOM 1149 OG SER 161 12.309 39.454 54.879 1.00 0.00 ATOM 1150 O SER 161 14.317 36.424 56.424 1.00 0.00 ATOM 1151 C SER 161 14.235 37.309 55.577 1.00 0.00 ATOM 1152 N GLU 162 14.123 37.060 54.273 1.00 0.00 ATOM 1153 CA GLU 162 14.061 35.711 53.743 1.00 0.00 ATOM 1154 CB GLU 162 13.877 35.736 52.214 1.00 0.00 ATOM 1155 CG GLU 162 12.530 36.276 51.733 1.00 0.00 ATOM 1156 CD GLU 162 11.374 35.292 51.899 1.00 0.00 ATOM 1157 OE1 GLU 162 11.629 34.069 51.959 1.00 0.00 ATOM 1158 OE2 GLU 162 10.213 35.742 51.972 1.00 0.00 ATOM 1159 O GLU 162 15.221 33.646 54.222 1.00 0.00 ATOM 1160 C GLU 162 15.301 34.876 54.088 1.00 0.00 ATOM 1161 N PHE 163 16.434 35.564 54.197 1.00 0.00 ATOM 1162 CA PHE 163 17.725 34.954 54.395 1.00 0.00 ATOM 1163 CB PHE 163 18.817 35.733 53.642 1.00 0.00 ATOM 1164 CG PHE 163 18.665 35.700 52.136 1.00 0.00 ATOM 1165 CD1 PHE 163 17.737 36.496 51.501 1.00 0.00 ATOM 1166 CD2 PHE 163 19.417 34.835 51.370 1.00 0.00 ATOM 1167 CE1 PHE 163 17.584 36.451 50.113 1.00 0.00 ATOM 1168 CE2 PHE 163 19.281 34.800 49.991 1.00 0.00 ATOM 1169 CZ PHE 163 18.360 35.613 49.367 1.00 0.00 ATOM 1170 O PHE 163 18.680 33.960 56.323 1.00 0.00 ATOM 1171 C PHE 163 18.055 34.886 55.882 1.00 0.00 ATOM 1172 N ILE 164 17.616 35.865 56.658 1.00 0.00 ATOM 1173 CA ILE 164 18.091 36.027 58.022 1.00 0.00 ATOM 1174 CB ILE 164 18.358 37.527 58.367 1.00 0.00 ATOM 1175 CG1 ILE 164 19.558 38.018 57.575 1.00 0.00 ATOM 1176 CG2 ILE 164 18.597 37.717 59.878 1.00 0.00 ATOM 1177 CD1 ILE 164 19.874 39.413 57.816 1.00 0.00 ATOM 1178 O ILE 164 17.563 34.838 60.019 1.00 0.00 ATOM 1179 C ILE 164 17.123 35.494 59.062 1.00 0.00 ATOM 1180 N LEU 165 15.826 35.805 58.926 1.00 0.00 ATOM 1181 CA LEU 165 14.895 35.491 60.005 1.00 0.00 ATOM 1182 CB LEU 165 13.511 36.116 59.783 1.00 0.00 ATOM 1183 CG LEU 165 13.490 37.664 59.804 1.00 0.00 ATOM 1184 CD1 LEU 165 12.069 38.194 59.640 1.00 0.00 ATOM 1185 CD2 LEU 165 14.123 38.230 61.059 1.00 0.00 ATOM 1186 O LEU 165 14.546 33.690 61.502 1.00 0.00 ATOM 1187 C LEU 165 14.765 34.003 60.334 1.00 0.00 ATOM 1188 N PRO 166 14.790 33.100 59.320 1.00 0.00 ATOM 1189 CA PRO 166 14.755 31.659 59.624 1.00 0.00 ATOM 1190 CB PRO 166 14.719 31.007 58.231 1.00 0.00 ATOM 1191 CG PRO 166 14.055 32.032 57.369 1.00 0.00 ATOM 1192 CD PRO 166 14.703 33.321 57.866 1.00 0.00 ATOM 1193 O PRO 166 15.742 30.079 61.113 1.00 0.00 ATOM 1194 C PRO 166 15.902 31.129 60.488 1.00 0.00 ATOM 1195 N GLU 167 17.017 31.866 60.559 1.00 0.00 ATOM 1196 CA GLU 167 18.147 31.520 61.443 1.00 0.00 ATOM 1197 CB GLU 167 19.468 32.043 60.865 1.00 0.00 ATOM 1198 CG GLU 167 19.749 31.689 59.424 1.00 0.00 ATOM 1199 CD GLU 167 19.378 30.256 59.102 1.00 0.00 ATOM 1200 OE1 GLU 167 20.162 29.327 59.413 1.00 0.00 ATOM 1201 OE2 GLU 167 18.274 30.055 58.554 1.00 0.00 ATOM 1202 O GLU 167 18.841 31.751 63.729 1.00 0.00 ATOM 1203 C GLU 167 18.017 32.075 62.872 1.00 0.00 ATOM 1204 N CYS 168 17.015 32.910 63.130 1.00 0.00 ATOM 1205 CA CYS 168 16.950 33.647 64.409 1.00 0.00 ATOM 1206 CB CYS 168 16.278 34.993 64.210 1.00 0.00 ATOM 1207 SG CYS 168 17.284 36.111 63.211 1.00 0.00 ATOM 1208 O CYS 168 15.247 32.223 65.295 1.00 0.00 ATOM 1209 C CYS 168 16.264 32.876 65.522 1.00 0.00 ATOM 1210 N ASP 169 16.874 32.924 66.709 1.00 0.00 ATOM 1211 CA ASP 169 16.299 32.382 67.935 1.00 0.00 ATOM 1212 CB ASP 169 17.402 32.217 68.983 1.00 0.00 ATOM 1213 CG ASP 169 18.526 31.329 68.499 1.00 0.00 ATOM 1214 OD1 ASP 169 18.220 30.195 68.067 1.00 0.00 ATOM 1215 OD2 ASP 169 19.699 31.776 68.530 1.00 0.00 ATOM 1216 O ASP 169 14.292 32.801 69.151 1.00 0.00 ATOM 1217 C ASP 169 15.217 33.280 68.512 1.00 0.00 ATOM 1218 N TYR 170 15.381 34.590 68.351 1.00 0.00 ATOM 1219 CA TYR 170 14.402 35.573 68.836 1.00 0.00 ATOM 1220 CB TYR 170 14.883 36.276 70.099 1.00 0.00 ATOM 1221 CG TYR 170 14.978 35.347 71.267 1.00 0.00 ATOM 1222 CD1 TYR 170 13.873 35.112 72.075 1.00 0.00 ATOM 1223 CD2 TYR 170 16.156 34.638 71.531 1.00 0.00 ATOM 1224 CE1 TYR 170 13.938 34.235 73.135 1.00 0.00 ATOM 1225 CE2 TYR 170 16.229 33.736 72.607 1.00 0.00 ATOM 1226 CZ TYR 170 15.105 33.540 73.385 1.00 0.00 ATOM 1227 OH TYR 170 15.140 32.662 74.439 1.00 0.00 ATOM 1228 O TYR 170 15.143 37.077 67.141 1.00 0.00 ATOM 1229 C TYR 170 14.185 36.609 67.763 1.00 0.00 ATOM 1230 N VAL 171 12.929 36.984 67.562 1.00 0.00 ATOM 1231 CA VAL 171 12.574 37.978 66.538 1.00 0.00 ATOM 1232 CB VAL 171 11.897 37.301 65.329 1.00 0.00 ATOM 1233 CG1 VAL 171 11.476 38.329 64.317 1.00 0.00 ATOM 1234 CG2 VAL 171 12.840 36.289 64.703 1.00 0.00 ATOM 1235 O VAL 171 10.678 38.717 67.809 1.00 0.00 ATOM 1236 C VAL 171 11.647 39.038 67.123 1.00 0.00 ATOM 1237 N TYR 172 11.962 40.296 66.854 1.00 0.00 ATOM 1238 CA TYR 172 11.086 41.430 67.161 1.00 0.00 ATOM 1239 CB TYR 172 11.813 42.447 68.065 1.00 0.00 ATOM 1240 CG TYR 172 12.369 41.814 69.296 1.00 0.00 ATOM 1241 CD1 TYR 172 13.561 41.082 69.225 1.00 0.00 ATOM 1242 CD2 TYR 172 11.716 41.904 70.523 1.00 0.00 ATOM 1243 CE1 TYR 172 14.088 40.461 70.322 1.00 0.00 ATOM 1244 CE2 TYR 172 12.260 41.292 71.659 1.00 0.00 ATOM 1245 CZ TYR 172 13.448 40.560 71.539 1.00 0.00 ATOM 1246 OH TYR 172 14.025 39.906 72.603 1.00 0.00 ATOM 1247 O TYR 172 11.530 42.444 65.028 1.00 0.00 ATOM 1248 C TYR 172 10.678 42.138 65.879 1.00 0.00 ATOM 1249 N ILE 173 9.388 42.441 65.748 1.00 0.00 ATOM 1250 CA ILE 173 8.877 43.047 64.548 1.00 0.00 ATOM 1251 CB ILE 173 7.979 42.079 63.744 1.00 0.00 ATOM 1252 CG1 ILE 173 8.709 40.776 63.395 1.00 0.00 ATOM 1253 CG2 ILE 173 7.485 42.729 62.453 1.00 0.00 ATOM 1254 CD1 ILE 173 7.750 39.633 63.027 1.00 0.00 ATOM 1255 O ILE 173 7.136 44.211 65.733 1.00 0.00 ATOM 1256 C ILE 173 8.062 44.284 64.916 1.00 0.00 ATOM 1257 N THR 174 8.402 45.402 64.293 1.00 0.00 ATOM 1258 CA THR 174 7.593 46.587 64.372 1.00 0.00 ATOM 1259 CB THR 174 8.154 47.720 63.516 1.00 0.00 ATOM 1260 CG2 THR 174 8.278 47.314 62.007 1.00 0.00 ATOM 1261 OG1 THR 174 7.291 48.851 63.622 1.00 0.00 ATOM 1262 O THR 174 5.769 45.710 62.994 1.00 0.00 ATOM 1263 C THR 174 6.113 46.393 63.969 1.00 0.00 ATOM 1264 N CYS 175 5.242 47.044 64.723 1.00 0.00 ATOM 1265 CA CYS 175 3.795 46.979 64.461 1.00 0.00 ATOM 1266 CB CYS 175 3.038 47.625 65.623 1.00 0.00 ATOM 1267 SG CYS 175 3.424 49.384 65.851 1.00 0.00 ATOM 1268 O CYS 175 2.396 47.457 62.562 1.00 0.00 ATOM 1269 C CYS 175 3.473 47.669 63.114 1.00 0.00 ATOM 1270 N ALA 176 4.422 48.453 62.563 1.00 0.00 ATOM 1271 CA ALA 176 4.281 48.994 61.186 1.00 0.00 ATOM 1272 CB ALA 176 5.490 49.844 60.774 1.00 0.00 ATOM 1273 O ALA 176 3.563 48.140 59.085 1.00 0.00 ATOM 1274 C ALA 176 4.074 47.881 60.166 1.00 0.00 ATOM 1275 N SER 177 4.489 46.655 60.494 1.00 0.00 ATOM 1276 CA SER 177 4.331 45.533 59.594 1.00 0.00 ATOM 1277 CB SER 177 5.113 44.334 60.084 1.00 0.00 ATOM 1278 OG SER 177 4.653 43.953 61.371 1.00 0.00 ATOM 1279 O SER 177 2.534 44.524 58.394 1.00 0.00 ATOM 1280 C SER 177 2.869 45.129 59.398 1.00 0.00 ATOM 1281 N VAL 178 2.011 45.459 60.351 1.00 0.00 ATOM 1282 CA VAL 178 0.570 45.268 60.198 1.00 0.00 ATOM 1283 CB VAL 178 -0.200 45.643 61.512 1.00 0.00 ATOM 1284 CG1 VAL 178 -1.724 45.538 61.317 1.00 0.00 ATOM 1285 CG2 VAL 178 0.262 44.759 62.623 1.00 0.00 ATOM 1286 O VAL 178 -0.642 45.699 58.172 1.00 0.00 ATOM 1287 C VAL 178 0.080 46.150 59.084 1.00 0.00 ATOM 1288 N VAL 179 0.478 47.414 59.152 1.00 0.00 ATOM 1289 CA VAL 179 0.030 48.404 58.180 1.00 0.00 ATOM 1290 CB VAL 179 0.521 49.812 58.572 1.00 0.00 ATOM 1291 CG1 VAL 179 0.208 50.817 57.472 1.00 0.00 ATOM 1292 CG2 VAL 179 -0.106 50.262 59.912 1.00 0.00 ATOM 1293 O VAL 179 -0.235 48.198 55.796 1.00 0.00 ATOM 1294 C VAL 179 0.513 48.089 56.767 1.00 0.00 ATOM 1295 N ASP 180 1.771 47.698 56.614 1.00 0.00 ATOM 1296 CA ASP 180 2.228 47.472 55.247 1.00 0.00 ATOM 1297 CB ASP 180 3.645 48.025 55.029 1.00 0.00 ATOM 1298 CG ASP 180 4.632 47.395 55.888 1.00 0.00 ATOM 1299 OD1 ASP 180 4.363 46.242 56.292 1.00 0.00 ATOM 1300 OD2 ASP 180 5.685 48.035 56.146 1.00 0.00 ATOM 1301 O ASP 180 2.331 45.744 53.579 1.00 0.00 ATOM 1302 C ASP 180 2.033 46.028 54.731 1.00 0.00 ATOM 1303 N LYS 181 1.462 45.161 55.562 1.00 0.00 ATOM 1304 CA LYS 181 1.123 43.778 55.170 1.00 0.00 ATOM 1305 CB LYS 181 0.177 43.735 53.970 1.00 0.00 ATOM 1306 CG LYS 181 -1.332 43.606 54.335 1.00 0.00 ATOM 1307 CD LYS 181 -1.936 44.841 54.971 1.00 0.00 ATOM 1308 CE LYS 181 -2.127 45.974 53.945 1.00 0.00 ATOM 1309 NZ LYS 181 -2.574 47.208 54.689 1.00 0.00 ATOM 1310 O LYS 181 2.237 41.823 54.327 1.00 0.00 ATOM 1311 C LYS 181 2.333 42.871 54.954 1.00 0.00 ATOM 1312 N THR 182 3.464 43.252 55.527 1.00 0.00 ATOM 1313 CA THR 182 4.655 42.379 55.549 1.00 0.00 ATOM 1314 CB THR 182 5.956 43.209 55.723 1.00 0.00 ATOM 1315 CG2 THR 182 6.194 44.033 54.487 1.00 0.00 ATOM 1316 OG1 THR 182 5.857 44.060 56.876 1.00 0.00 ATOM 1317 O THR 182 5.240 40.304 56.624 1.00 0.00 ATOM 1318 C THR 182 4.545 41.334 56.655 1.00 0.00 ATOM 1319 N LEU 183 3.670 41.587 57.628 1.00 0.00 ATOM 1320 CA LEU 183 3.649 40.780 58.846 1.00 0.00 ATOM 1321 CB LEU 183 2.614 41.310 59.855 1.00 0.00 ATOM 1322 CG LEU 183 2.531 40.570 61.195 1.00 0.00 ATOM 1323 CD1 LEU 183 3.827 40.665 61.968 1.00 0.00 ATOM 1324 CD2 LEU 183 1.397 41.136 62.062 1.00 0.00 ATOM 1325 O LEU 183 4.165 38.477 59.144 1.00 0.00 ATOM 1326 C LEU 183 3.437 39.275 58.597 1.00 0.00 ATOM 1327 N PRO 184 2.427 38.887 57.798 1.00 0.00 ATOM 1328 CA PRO 184 2.207 37.429 57.697 1.00 0.00 ATOM 1329 CB PRO 184 1.022 37.315 56.744 1.00 0.00 ATOM 1330 CG PRO 184 0.318 38.673 56.820 1.00 0.00 ATOM 1331 CD PRO 184 1.406 39.671 57.049 1.00 0.00 ATOM 1332 O PRO 184 3.776 35.637 57.733 1.00 0.00 ATOM 1333 C PRO 184 3.440 36.683 57.185 1.00 0.00 ATOM 1334 N ARG 185 4.151 37.217 56.193 1.00 0.00 ATOM 1335 CA ARG 185 5.336 36.511 55.683 1.00 0.00 ATOM 1336 CB ARG 185 5.846 37.106 54.368 1.00 0.00 ATOM 1337 CG ARG 185 7.121 36.404 53.849 1.00 0.00 ATOM 1338 CD ARG 185 6.876 34.900 53.696 1.00 0.00 ATOM 1339 NE ARG 185 8.048 34.226 53.153 1.00 0.00 ATOM 1340 CZ ARG 185 8.171 32.901 53.032 1.00 0.00 ATOM 1341 NH1 ARG 185 7.208 32.103 53.432 1.00 0.00 ATOM 1342 NH2 ARG 185 9.288 32.381 52.552 1.00 0.00 ATOM 1343 O ARG 185 7.105 35.496 56.971 1.00 0.00 ATOM 1344 C ARG 185 6.445 36.504 56.748 1.00 0.00 ATOM 1345 N LEU 186 6.612 37.630 57.435 1.00 0.00 ATOM 1346 CA LEU 186 7.592 37.717 58.497 1.00 0.00 ATOM 1347 CB LEU 186 7.603 39.106 59.134 1.00 0.00 ATOM 1348 CG LEU 186 8.106 40.241 58.245 1.00 0.00 ATOM 1349 CD1 LEU 186 7.994 41.564 58.972 1.00 0.00 ATOM 1350 CD2 LEU 186 9.530 40.039 57.726 1.00 0.00 ATOM 1351 O LEU 186 8.284 36.071 60.068 1.00 0.00 ATOM 1352 C LEU 186 7.343 36.685 59.571 1.00 0.00 ATOM 1353 N LEU 187 6.084 36.527 59.944 1.00 0.00 ATOM 1354 CA LEU 187 5.687 35.469 60.892 1.00 0.00 ATOM 1355 CB LEU 187 4.194 35.572 61.240 1.00 0.00 ATOM 1356 CG LEU 187 3.804 36.856 62.016 1.00 0.00 ATOM 1357 CD1 LEU 187 2.329 36.843 62.398 1.00 0.00 ATOM 1358 CD2 LEU 187 4.687 37.016 63.247 1.00 0.00 ATOM 1359 O LEU 187 6.544 33.271 61.215 1.00 0.00 ATOM 1360 C LEU 187 6.047 34.071 60.421 1.00 0.00 ATOM 1361 N GLU 188 5.801 33.764 59.152 1.00 0.00 ATOM 1362 CA GLU 188 6.170 32.458 58.594 1.00 0.00 ATOM 1363 CB GLU 188 5.562 32.278 57.201 1.00 0.00 ATOM 1364 CG GLU 188 5.921 30.946 56.507 1.00 0.00 ATOM 1365 CD GLU 188 5.114 29.720 56.999 1.00 0.00 ATOM 1366 OE1 GLU 188 4.411 29.818 58.030 1.00 0.00 ATOM 1367 OE2 GLU 188 5.194 28.658 56.338 1.00 0.00 ATOM 1368 O GLU 188 8.185 31.184 58.923 1.00 0.00 ATOM 1369 C GLU 188 7.688 32.254 58.567 1.00 0.00 ATOM 1370 N LEU 189 8.442 33.280 58.192 1.00 0.00 ATOM 1371 CA LEU 189 9.883 33.177 58.213 1.00 0.00 ATOM 1372 CB LEU 189 10.506 34.462 57.648 1.00 0.00 ATOM 1373 CG LEU 189 10.259 34.671 56.172 1.00 0.00 ATOM 1374 CD1 LEU 189 10.674 36.079 55.786 1.00 0.00 ATOM 1375 CD2 LEU 189 11.012 33.637 55.406 1.00 0.00 ATOM 1376 O LEU 189 11.476 32.272 59.764 1.00 0.00 ATOM 1377 C LEU 189 10.446 32.931 59.615 1.00 0.00 ATOM 1378 N SER 190 9.787 33.494 60.620 1.00 0.00 ATOM 1379 CA SER 190 10.265 33.460 62.001 1.00 0.00 ATOM 1380 CB SER 190 9.922 34.799 62.671 1.00 0.00 ATOM 1381 OG SER 190 10.367 35.905 61.882 1.00 0.00 ATOM 1382 O SER 190 9.942 32.217 64.020 1.00 0.00 ATOM 1383 C SER 190 9.667 32.321 62.832 1.00 0.00 ATOM 1384 N ARG 191 8.836 31.470 62.228 1.00 0.00 ATOM 1385 CA ARG 191 7.995 30.556 63.013 1.00 0.00 ATOM 1386 CB ARG 191 7.052 29.754 62.124 1.00 0.00 ATOM 1387 CG ARG 191 7.732 28.786 61.219 1.00 0.00 ATOM 1388 CD ARG 191 6.714 28.136 60.292 1.00 0.00 ATOM 1389 NE ARG 191 7.351 27.063 59.542 1.00 0.00 ATOM 1390 CZ ARG 191 8.213 27.240 58.542 1.00 0.00 ATOM 1391 NH1 ARG 191 8.545 28.465 58.137 1.00 0.00 ATOM 1392 NH2 ARG 191 8.746 26.179 57.935 1.00 0.00 ATOM 1393 O ARG 191 8.223 29.171 64.947 1.00 0.00 ATOM 1394 C ARG 191 8.776 29.612 63.948 1.00 0.00 ATOM 1395 N ASN 192 10.047 29.342 63.647 1.00 0.00 ATOM 1396 CA ASN 192 10.860 28.482 64.495 1.00 0.00 ATOM 1397 CB ASN 192 11.711 27.545 63.632 1.00 0.00 ATOM 1398 CG ASN 192 10.864 26.586 62.782 1.00 0.00 ATOM 1399 ND2 ASN 192 11.294 26.368 61.547 1.00 0.00 ATOM 1400 OD1 ASN 192 9.853 26.054 63.230 1.00 0.00 ATOM 1401 O ASN 192 12.550 28.599 66.192 1.00 0.00 ATOM 1402 C ASN 192 11.748 29.227 65.503 1.00 0.00 ATOM 1403 N ALA 193 11.620 30.551 65.603 1.00 0.00 ATOM 1404 CA ALA 193 12.201 31.286 66.737 1.00 0.00 ATOM 1405 CB ALA 193 11.898 32.765 66.603 1.00 0.00 ATOM 1406 O ALA 193 10.489 30.342 68.106 1.00 0.00 ATOM 1407 C ALA 193 11.628 30.764 68.068 1.00 0.00 ATOM 1408 N ARG 194 12.389 30.846 69.157 1.00 0.00 ATOM 1409 CA ARG 194 11.831 30.558 70.486 1.00 0.00 ATOM 1410 CB ARG 194 12.902 30.581 71.593 1.00 0.00 ATOM 1411 CG ARG 194 14.224 29.871 71.285 1.00 0.00 ATOM 1412 CD ARG 194 15.072 29.659 72.561 1.00 0.00 ATOM 1413 NE ARG 194 16.482 29.335 72.291 1.00 0.00 ATOM 1414 O ARG 194 9.739 31.247 71.483 1.00 0.00 ATOM 1415 C ARG 194 10.721 31.573 70.825 1.00 0.00 ATOM 1416 N ARG 195 10.884 32.811 70.382 1.00 0.00 ATOM 1417 CA ARG 195 9.867 33.817 70.579 1.00 0.00 ATOM 1418 CB ARG 195 10.043 34.467 71.937 1.00 0.00 ATOM 1419 CG ARG 195 8.921 35.452 72.256 1.00 0.00 ATOM 1420 CD ARG 195 9.322 36.337 73.383 1.00 0.00 ATOM 1421 NE ARG 195 9.448 35.535 74.580 1.00 0.00 ATOM 1422 CZ ARG 195 10.343 35.740 75.539 1.00 0.00 ATOM 1423 NH1 ARG 195 11.217 36.747 75.462 1.00 0.00 ATOM 1424 NH2 ARG 195 10.359 34.922 76.588 1.00 0.00 ATOM 1425 O ARG 195 10.957 35.411 69.138 1.00 0.00 ATOM 1426 C ARG 195 9.875 34.907 69.519 1.00 0.00 ATOM 1427 N ILE 196 8.655 35.292 69.104 1.00 0.00 ATOM 1428 CA ILE 196 8.399 36.427 68.214 1.00 0.00 ATOM 1429 CB ILE 196 7.672 36.004 66.912 1.00 0.00 ATOM 1430 CG1 ILE 196 8.370 34.834 66.233 1.00 0.00 ATOM 1431 CG2 ILE 196 7.571 37.236 65.935 1.00 0.00 ATOM 1432 CD1 ILE 196 7.456 34.073 65.292 1.00 0.00 ATOM 1433 O ILE 196 6.465 37.098 69.508 1.00 0.00 ATOM 1434 C ILE 196 7.521 37.454 68.946 1.00 0.00 ATOM 1435 N THR 197 7.972 38.706 68.931 1.00 0.00 ATOM 1436 CA THR 197 7.345 39.824 69.633 1.00 0.00 ATOM 1437 CB THR 197 8.321 40.430 70.681 1.00 0.00 ATOM 1438 CG2 THR 197 7.687 41.545 71.484 1.00 0.00 ATOM 1439 OG1 THR 197 8.776 39.409 71.580 1.00 0.00 ATOM 1440 O THR 197 7.806 41.241 67.783 1.00 0.00 ATOM 1441 C THR 197 6.986 40.906 68.641 1.00 0.00 ATOM 1442 N LEU 198 5.754 41.414 68.724 1.00 0.00 ATOM 1443 CA LEU 198 5.292 42.600 67.963 1.00 0.00 ATOM 1444 CB LEU 198 3.857 42.426 67.495 1.00 0.00 ATOM 1445 CG LEU 198 3.381 43.343 66.374 1.00 0.00 ATOM 1446 CD1 LEU 198 4.000 42.965 65.067 1.00 0.00 ATOM 1447 CD2 LEU 198 1.835 43.225 66.289 1.00 0.00 ATOM 1448 O LEU 198 4.980 43.731 70.014 1.00 0.00 ATOM 1449 C LEU 198 5.405 43.796 68.865 1.00 0.00 ATOM 1450 N VAL 199 6.048 44.864 68.382 1.00 0.00 ATOM 1451 CA VAL 199 6.455 45.975 69.239 1.00 0.00 ATOM 1452 CB VAL 199 8.028 46.029 69.445 1.00 0.00 ATOM 1453 CG1 VAL 199 8.425 47.124 70.447 1.00 0.00 ATOM 1454 CG2 VAL 199 8.565 44.719 69.889 1.00 0.00 ATOM 1455 O VAL 199 6.285 47.560 67.445 1.00 0.00 ATOM 1456 C VAL 199 6.094 47.314 68.644 1.00 0.00 ATOM 1457 N GLY 200 5.630 48.211 69.507 1.00 0.00 ATOM 1458 CA GLY 200 5.476 49.602 69.158 1.00 0.00 ATOM 1459 O GLY 200 3.235 49.289 69.964 1.00 0.00 ATOM 1460 C GLY 200 4.087 50.082 69.582 1.00 0.00 ATOM 1461 N PRO 201 3.866 51.393 69.515 1.00 0.00 ATOM 1462 CA PRO 201 2.622 52.018 69.930 1.00 0.00 ATOM 1463 CB PRO 201 2.866 53.493 69.594 1.00 0.00 ATOM 1464 CG PRO 201 4.332 53.649 69.648 1.00 0.00 ATOM 1465 CD PRO 201 4.858 52.396 69.074 1.00 0.00 ATOM 1466 O PRO 201 0.264 51.552 69.821 1.00 0.00 ATOM 1467 C PRO 201 1.353 51.514 69.224 1.00 0.00 ATOM 1468 N GLY 202 1.505 51.043 67.983 1.00 0.00 ATOM 1469 CA GLY 202 0.433 50.500 67.177 1.00 0.00 ATOM 1470 O GLY 202 -0.523 48.401 66.483 1.00 0.00 ATOM 1471 C GLY 202 0.201 48.994 67.289 1.00 0.00 ATOM 1472 N THR 203 0.772 48.381 68.314 1.00 0.00 ATOM 1473 CA THR 203 0.561 46.971 68.585 1.00 0.00 ATOM 1474 CB THR 203 1.663 46.430 69.487 1.00 0.00 ATOM 1475 CG2 THR 203 1.453 44.950 69.753 1.00 0.00 ATOM 1476 OG1 THR 203 2.947 46.674 68.863 1.00 0.00 ATOM 1477 O THR 203 -1.034 47.413 70.335 1.00 0.00 ATOM 1478 C THR 203 -0.785 46.788 69.288 1.00 0.00 ATOM 1479 N PRO 204 -1.675 45.972 68.690 1.00 0.00 ATOM 1480 CA PRO 204 -2.910 45.591 69.367 1.00 0.00 ATOM 1481 CB PRO 204 -3.758 44.951 68.239 1.00 0.00 ATOM 1482 CG PRO 204 -3.011 45.166 66.963 1.00 0.00 ATOM 1483 CD PRO 204 -1.594 45.416 67.324 1.00 0.00 ATOM 1484 O PRO 204 -1.961 43.621 70.333 1.00 0.00 ATOM 1485 C PRO 204 -2.669 44.614 70.505 1.00 0.00 ATOM 1486 N LEU 205 -3.272 44.887 71.653 1.00 0.00 ATOM 1487 CA LEU 205 -3.111 44.064 72.828 1.00 0.00 ATOM 1488 CB LEU 205 -3.141 44.958 74.068 1.00 0.00 ATOM 1489 CG LEU 205 -1.985 45.985 74.111 1.00 0.00 ATOM 1490 CD1 LEU 205 -2.244 47.063 75.132 1.00 0.00 ATOM 1491 CD2 LEU 205 -0.627 45.326 74.396 1.00 0.00 ATOM 1492 O LEU 205 -5.000 42.855 73.762 1.00 0.00 ATOM 1493 C LEU 205 -4.176 42.972 72.836 1.00 0.00 ATOM 1494 N ALA 206 -4.105 42.167 71.775 1.00 0.00 ATOM 1495 CA ALA 206 -5.136 41.252 71.336 1.00 0.00 ATOM 1496 CB ALA 206 -5.486 41.556 69.901 1.00 0.00 ATOM 1497 O ALA 206 -3.922 39.324 70.519 1.00 0.00 ATOM 1498 C ALA 206 -4.600 39.821 71.447 1.00 0.00 ATOM 1499 N PRO 207 -4.869 39.159 72.586 1.00 0.00 ATOM 1500 CA PRO 207 -4.412 37.786 72.833 1.00 0.00 ATOM 1501 CB PRO 207 -5.152 37.389 74.106 1.00 0.00 ATOM 1502 CG PRO 207 -5.459 38.666 74.799 1.00 0.00 ATOM 1503 CD PRO 207 -5.625 39.707 73.727 1.00 0.00 ATOM 1504 O PRO 207 -4.064 35.791 71.595 1.00 0.00 ATOM 1505 C PRO 207 -4.732 36.803 71.711 1.00 0.00 ATOM 1506 N VAL 208 -5.741 37.086 70.888 1.00 0.00 ATOM 1507 CA VAL 208 -6.033 36.253 69.725 1.00 0.00 ATOM 1508 CB VAL 208 -7.288 36.781 68.934 1.00 0.00 ATOM 1509 CG1 VAL 208 -6.954 38.017 68.118 1.00 0.00 ATOM 1510 CG2 VAL 208 -7.883 35.691 68.051 1.00 0.00 ATOM 1511 O VAL 208 -4.562 35.077 68.197 1.00 0.00 ATOM 1512 C VAL 208 -4.797 36.121 68.817 1.00 0.00 ATOM 1513 N LEU 209 -3.963 37.152 68.798 1.00 0.00 ATOM 1514 CA LEU 209 -2.706 37.103 68.048 1.00 0.00 ATOM 1515 CB LEU 209 -2.012 38.477 68.098 1.00 0.00 ATOM 1516 CG LEU 209 -2.821 39.638 67.476 1.00 0.00 ATOM 1517 CD1 LEU 209 -2.216 40.995 67.757 1.00 0.00 ATOM 1518 CD2 LEU 209 -3.025 39.471 65.971 1.00 0.00 ATOM 1519 O LEU 209 -0.960 35.471 67.681 1.00 0.00 ATOM 1520 C LEU 209 -1.759 35.954 68.484 1.00 0.00 ATOM 1521 N PHE 210 -1.896 35.468 69.720 1.00 0.00 ATOM 1522 CA PHE 210 -1.062 34.368 70.208 1.00 0.00 ATOM 1523 CB PHE 210 -1.166 34.237 71.733 1.00 0.00 ATOM 1524 CG PHE 210 -0.721 35.460 72.504 1.00 0.00 ATOM 1525 CD1 PHE 210 0.402 36.190 72.122 1.00 0.00 ATOM 1526 CD2 PHE 210 -1.411 35.849 73.648 1.00 0.00 ATOM 1527 CE1 PHE 210 0.800 37.304 72.836 1.00 0.00 ATOM 1528 CE2 PHE 210 -1.001 36.952 74.378 1.00 0.00 ATOM 1529 CZ PHE 210 0.102 37.676 73.970 1.00 0.00 ATOM 1530 O PHE 210 -0.709 32.050 69.659 1.00 0.00 ATOM 1531 C PHE 210 -1.443 33.033 69.566 1.00 0.00 ATOM 1532 N GLU 211 -2.612 33.019 68.932 1.00 0.00 ATOM 1533 CA GLU 211 -3.106 31.887 68.155 1.00 0.00 ATOM 1534 CB GLU 211 -4.633 31.774 68.343 1.00 0.00 ATOM 1535 CG GLU 211 -5.073 31.767 69.837 1.00 0.00 ATOM 1536 CD GLU 211 -6.595 31.989 70.044 1.00 0.00 ATOM 1537 OE1 GLU 211 -7.372 31.939 69.059 1.00 0.00 ATOM 1538 OE2 GLU 211 -7.020 32.221 71.201 1.00 0.00 ATOM 1539 O GLU 211 -3.011 31.176 65.865 1.00 0.00 ATOM 1540 C GLU 211 -2.724 32.048 66.681 1.00 0.00 ATOM 1541 N HIS 212 -2.046 33.156 66.356 1.00 0.00 ATOM 1542 CA HIS 212 -1.700 33.492 64.979 1.00 0.00 ATOM 1543 CB HIS 212 -2.555 34.677 64.489 1.00 0.00 ATOM 1544 CG HIS 212 -3.962 34.283 64.181 1.00 0.00 ATOM 1545 CD2 HIS 212 -5.099 34.383 64.910 1.00 0.00 ATOM 1546 ND1 HIS 212 -4.298 33.605 63.032 1.00 0.00 ATOM 1547 CE1 HIS 212 -5.589 33.322 63.058 1.00 0.00 ATOM 1548 NE2 HIS 212 -6.099 33.787 64.185 1.00 0.00 ATOM 1549 O HIS 212 0.178 34.658 64.050 1.00 0.00 ATOM 1550 C HIS 212 -0.212 33.768 64.807 1.00 0.00 ATOM 1551 N GLY 213 0.619 32.996 65.506 1.00 0.00 ATOM 1552 CA GLY 213 2.064 32.983 65.234 1.00 0.00 ATOM 1553 O GLY 213 4.115 34.129 65.630 1.00 0.00 ATOM 1554 C GLY 213 2.934 33.988 65.966 1.00 0.00 ATOM 1555 N LEU 214 2.357 34.675 66.951 1.00 0.00 ATOM 1556 CA LEU 214 3.082 35.566 67.857 1.00 0.00 ATOM 1557 CB LEU 214 2.434 36.951 67.846 1.00 0.00 ATOM 1558 CG LEU 214 2.744 37.822 66.618 1.00 0.00 ATOM 1559 CD1 LEU 214 1.740 38.923 66.463 1.00 0.00 ATOM 1560 CD2 LEU 214 4.176 38.428 66.718 1.00 0.00 ATOM 1561 O LEU 214 2.122 34.408 69.725 1.00 0.00 ATOM 1562 C LEU 214 3.093 35.027 69.294 1.00 0.00 ATOM 1563 N GLN 215 4.174 35.285 70.047 1.00 0.00 ATOM 1564 CA GLN 215 4.235 34.888 71.458 1.00 0.00 ATOM 1565 CB GLN 215 5.357 33.887 71.701 1.00 0.00 ATOM 1566 CG GLN 215 5.201 32.594 70.922 1.00 0.00 ATOM 1567 CD GLN 215 5.639 32.729 69.478 1.00 0.00 ATOM 1568 OE1 GLN 215 6.727 33.215 69.196 1.00 0.00 ATOM 1569 NE2 GLN 215 4.786 32.273 68.555 1.00 0.00 ATOM 1570 O GLN 215 4.272 35.850 73.651 1.00 0.00 ATOM 1571 C GLN 215 4.340 36.055 72.443 1.00 0.00 ATOM 1572 N GLU 216 4.483 37.280 71.944 1.00 0.00 ATOM 1573 CA GLU 216 4.486 38.445 72.828 1.00 0.00 ATOM 1574 CB GLU 216 5.874 38.654 73.474 1.00 0.00 ATOM 1575 CG GLU 216 6.000 39.911 74.386 1.00 0.00 ATOM 1576 CD GLU 216 7.402 40.069 75.004 1.00 0.00 ATOM 1577 OE1 GLU 216 7.810 39.192 75.763 1.00 0.00 ATOM 1578 OE2 GLU 216 8.085 41.082 74.739 1.00 0.00 ATOM 1579 O GLU 216 4.328 39.883 70.899 1.00 0.00 ATOM 1580 C GLU 216 4.055 39.698 72.083 1.00 0.00 ATOM 1581 N LEU 217 3.389 40.574 72.810 1.00 0.00 ATOM 1582 CA LEU 217 2.909 41.813 72.258 1.00 0.00 ATOM 1583 CB LEU 217 1.384 41.788 72.126 1.00 0.00 ATOM 1584 CG LEU 217 0.818 40.638 71.299 1.00 0.00 ATOM 1585 CD1 LEU 217 -0.673 40.512 71.542 1.00 0.00 ATOM 1586 CD2 LEU 217 1.140 40.790 69.830 1.00 0.00 ATOM 1587 O LEU 217 2.958 42.930 74.371 1.00 0.00 ATOM 1588 C LEU 217 3.321 42.917 73.193 1.00 0.00 ATOM 1589 N SER 218 4.106 43.840 72.662 1.00 0.00 ATOM 1590 CA SER 218 4.652 44.937 73.446 1.00 0.00 ATOM 1591 CB SER 218 6.179 44.899 73.384 1.00 0.00 ATOM 1592 OG SER 218 6.670 43.766 74.074 1.00 0.00 ATOM 1593 O SER 218 4.629 46.721 71.887 1.00 0.00 ATOM 1594 C SER 218 4.133 46.245 72.889 1.00 0.00 ATOM 1595 N GLY 219 3.137 46.815 73.541 1.00 0.00 ATOM 1596 CA GLY 219 2.506 48.027 73.046 1.00 0.00 ATOM 1597 O GLY 219 3.333 49.351 74.867 1.00 0.00 ATOM 1598 C GLY 219 2.435 49.147 74.058 1.00 0.00 ATOM 1599 N PHE 220 1.319 49.850 74.028 1.00 0.00 ATOM 1600 CA PHE 220 1.208 51.147 74.657 1.00 0.00 ATOM 1601 CB PHE 220 1.613 52.215 73.637 1.00 0.00 ATOM 1602 CG PHE 220 1.636 53.603 74.190 1.00 0.00 ATOM 1603 CD1 PHE 220 2.624 53.984 75.072 1.00 0.00 ATOM 1604 CD2 PHE 220 0.669 54.527 73.816 1.00 0.00 ATOM 1605 CE1 PHE 220 2.654 55.254 75.594 1.00 0.00 ATOM 1606 CE2 PHE 220 0.690 55.806 74.321 1.00 0.00 ATOM 1607 CZ PHE 220 1.688 56.177 75.209 1.00 0.00 ATOM 1608 O PHE 220 -1.168 51.093 74.349 1.00 0.00 ATOM 1609 C PHE 220 -0.244 51.348 75.106 1.00 0.00 ATOM 1610 N MET 221 -0.433 51.774 76.348 1.00 0.00 ATOM 1611 CA MET 221 -1.763 52.163 76.842 1.00 0.00 ATOM 1612 CB MET 221 -1.960 51.549 78.233 1.00 0.00 ATOM 1613 CG MET 221 -3.247 51.876 78.955 1.00 0.00 ATOM 1614 SD MET 221 -4.717 51.315 77.896 1.00 0.00 ATOM 1615 CE MET 221 -4.128 49.382 77.653 1.00 0.00 ATOM 1616 O MET 221 -1.030 54.288 77.623 1.00 0.00 ATOM 1617 C MET 221 -1.814 53.684 76.917 1.00 0.00 ATOM 1618 N VAL 222 -2.715 54.316 76.179 1.00 0.00 ATOM 1619 CA VAL 222 -2.939 55.755 76.374 1.00 0.00 ATOM 1620 CB VAL 222 -3.752 56.377 75.204 1.00 0.00 ATOM 1621 CG1 VAL 222 -4.193 57.826 75.563 1.00 0.00 ATOM 1622 CG2 VAL 222 -2.931 56.366 73.943 1.00 0.00 ATOM 1623 O VAL 222 -4.730 55.455 77.958 1.00 0.00 ATOM 1624 C VAL 222 -3.671 56.016 77.711 1.00 0.00 ATOM 1625 N LYS 223 -3.111 56.865 78.562 1.00 0.00 ATOM 1626 CA LYS 223 -3.770 57.242 79.824 1.00 0.00 ATOM 1627 CB LYS 223 -2.805 57.089 81.009 1.00 0.00 ATOM 1628 CG LYS 223 -2.314 55.648 81.244 1.00 0.00 ATOM 1629 CD LYS 223 -1.235 55.571 82.337 1.00 0.00 ATOM 1630 O LYS 223 -5.251 59.020 80.558 1.00 0.00 ATOM 1631 C LYS 223 -4.357 58.672 79.772 1.00 0.00 ATOM 1632 N ASP 224 -3.842 59.489 78.852 1.00 0.00 ATOM 1633 CA ASP 224 -4.313 60.854 78.642 1.00 0.00 ATOM 1634 CB ASP 224 -3.164 61.832 78.906 1.00 0.00 ATOM 1635 CG ASP 224 -3.643 63.223 79.268 1.00 0.00 ATOM 1636 OD1 ASP 224 -4.653 63.708 78.704 1.00 0.00 ATOM 1637 OD2 ASP 224 -2.991 63.839 80.135 1.00 0.00 ATOM 1638 O ASP 224 -4.047 61.242 76.275 1.00 0.00 ATOM 1639 C ASP 224 -4.819 60.950 77.197 1.00 0.00 ATOM 1640 N ASN 225 -6.115 60.667 77.027 1.00 0.00 ATOM 1641 CA ASN 225 -6.793 60.696 75.731 1.00 0.00 ATOM 1642 CB ASN 225 -8.292 60.362 75.892 1.00 0.00 ATOM 1643 CG ASN 225 -8.554 58.884 76.225 1.00 0.00 ATOM 1644 ND2 ASN 225 -9.843 58.522 76.296 1.00 0.00 ATOM 1645 OD1 ASN 225 -7.619 58.078 76.406 1.00 0.00 ATOM 1646 O ASN 225 -6.195 62.126 73.911 1.00 0.00 ATOM 1647 C ASN 225 -6.659 62.048 75.044 1.00 0.00 ATOM 1648 N ALA 226 -7.057 63.107 75.742 1.00 0.00 ATOM 1649 CA ALA 226 -6.965 64.468 75.212 1.00 0.00 ATOM 1650 CB ALA 226 -7.468 65.490 76.256 1.00 0.00 ATOM 1651 O ALA 226 -5.313 65.336 73.683 1.00 0.00 ATOM 1652 C ALA 226 -5.530 64.788 74.766 1.00 0.00 ATOM 1653 N ARG 227 -4.554 64.380 75.571 1.00 0.00 ATOM 1654 CA ARG 227 -3.160 64.687 75.293 1.00 0.00 ATOM 1655 CB ARG 227 -2.287 64.420 76.516 1.00 0.00 ATOM 1656 CG ARG 227 -0.855 64.841 76.301 1.00 0.00 ATOM 1657 CD ARG 227 0.003 64.680 77.528 1.00 0.00 ATOM 1658 NE ARG 227 1.370 65.111 77.240 1.00 0.00 ATOM 1659 CZ ARG 227 2.240 65.526 78.151 1.00 0.00 ATOM 1660 NH1 ARG 227 1.904 65.573 79.433 1.00 0.00 ATOM 1661 NH2 ARG 227 3.453 65.907 77.775 1.00 0.00 ATOM 1662 O ARG 227 -1.910 64.491 73.284 1.00 0.00 ATOM 1663 C ARG 227 -2.615 63.922 74.110 1.00 0.00 ATOM 1664 N ALA 228 -2.921 62.627 74.040 1.00 0.00 ATOM 1665 CA ALA 228 -2.574 61.799 72.885 1.00 0.00 ATOM 1666 CB ALA 228 -3.228 60.426 73.016 1.00 0.00 ATOM 1667 O ALA 228 -2.212 62.427 70.606 1.00 0.00 ATOM 1668 C ALA 228 -2.971 62.451 71.557 1.00 0.00 ATOM 1669 N PHE 229 -4.165 63.023 71.500 1.00 0.00 ATOM 1670 CA PHE 229 -4.628 63.746 70.301 1.00 0.00 ATOM 1671 CB PHE 229 -6.121 64.041 70.378 1.00 0.00 ATOM 1672 CG PHE 229 -6.996 62.917 69.857 1.00 0.00 ATOM 1673 CD1 PHE 229 -7.252 61.786 70.637 1.00 0.00 ATOM 1674 CD2 PHE 229 -7.555 62.991 68.586 1.00 0.00 ATOM 1675 CE1 PHE 229 -8.070 60.755 70.162 1.00 0.00 ATOM 1676 CE2 PHE 229 -8.368 61.980 68.111 1.00 0.00 ATOM 1677 CZ PHE 229 -8.622 60.846 68.902 1.00 0.00 ATOM 1678 O PHE 229 -3.520 65.342 68.900 1.00 0.00 ATOM 1679 C PHE 229 -3.853 65.038 70.042 1.00 0.00 ATOM 1680 N ARG 230 -3.560 65.785 71.100 1.00 0.00 ATOM 1681 CA ARG 230 -2.723 66.976 70.963 1.00 0.00 ATOM 1682 CB ARG 230 -2.489 67.653 72.316 1.00 0.00 ATOM 1683 CG ARG 230 -3.775 68.201 72.938 1.00 0.00 ATOM 1684 CD ARG 230 -3.514 69.226 74.040 1.00 0.00 ATOM 1685 NE ARG 230 -3.089 68.629 75.313 1.00 0.00 ATOM 1686 CZ ARG 230 -3.915 68.186 76.266 1.00 0.00 ATOM 1687 NH1 ARG 230 -5.240 68.253 76.123 1.00 0.00 ATOM 1688 NH2 ARG 230 -3.406 67.665 77.381 1.00 0.00 ATOM 1689 O ARG 230 -1.017 67.222 69.331 1.00 0.00 ATOM 1690 C ARG 230 -1.415 66.604 70.306 1.00 0.00 ATOM 1691 N ILE 231 -0.762 65.566 70.814 1.00 0.00 ATOM 1692 CA ILE 231 0.523 65.138 70.283 1.00 0.00 ATOM 1693 CB ILE 231 1.138 63.979 71.138 1.00 0.00 ATOM 1694 CG1 ILE 231 1.517 64.490 72.541 1.00 0.00 ATOM 1695 CG2 ILE 231 2.346 63.374 70.434 1.00 0.00 ATOM 1696 CD1 ILE 231 1.711 63.405 73.586 1.00 0.00 ATOM 1697 O ILE 231 1.182 65.202 67.974 1.00 0.00 ATOM 1698 C ILE 231 0.418 64.716 68.811 1.00 0.00 ATOM 1699 N VAL 232 -0.518 63.815 68.500 1.00 0.00 ATOM 1700 CA VAL 232 -0.665 63.278 67.129 1.00 0.00 ATOM 1701 CB VAL 232 -1.797 62.190 67.018 1.00 0.00 ATOM 1702 CG1 VAL 232 -1.984 61.729 65.553 1.00 0.00 ATOM 1703 CG2 VAL 232 -1.501 60.985 67.929 1.00 0.00 ATOM 1704 O VAL 232 -0.499 64.352 64.980 1.00 0.00 ATOM 1705 C VAL 232 -0.968 64.389 66.122 1.00 0.00 ATOM 1706 N ALA 233 -1.747 65.374 66.562 1.00 0.00 ATOM 1707 CA ALA 233 -2.111 66.510 65.724 1.00 0.00 ATOM 1708 CB ALA 233 -3.344 67.212 66.298 1.00 0.00 ATOM 1709 O ALA 233 -1.165 68.504 64.822 1.00 0.00 ATOM 1710 C ALA 233 -0.982 67.525 65.542 1.00 0.00 ATOM 1711 N GLY 234 0.146 67.326 66.220 1.00 0.00 ATOM 1712 CA GLY 234 1.297 68.232 66.114 1.00 0.00 ATOM 1713 O GLY 234 2.020 70.400 66.833 1.00 0.00 ATOM 1714 C GLY 234 1.198 69.485 66.974 1.00 0.00 ATOM 1715 N ALA 235 0.200 69.522 67.863 1.00 0.00 ATOM 1716 CA ALA 235 0.006 70.625 68.813 1.00 0.00 ATOM 1717 CB ALA 235 -1.467 70.743 69.193 1.00 0.00 ATOM 1718 O ALA 235 0.886 71.379 70.922 1.00 0.00 ATOM 1719 C ALA 235 0.871 70.485 70.080 1.00 0.00 ATOM 1720 N GLU 236 1.557 69.350 70.225 1.00 0.00 ATOM 1721 CA GLU 236 2.660 69.206 71.186 1.00 0.00 ATOM 1722 CB GLU 236 2.276 68.337 72.387 1.00 0.00 ATOM 1723 CG GLU 236 1.227 68.946 73.311 1.00 0.00 ATOM 1724 CD GLU 236 1.128 68.232 74.658 1.00 0.00 ATOM 1725 OE1 GLU 236 2.154 67.690 75.135 1.00 0.00 ATOM 1726 OE2 GLU 236 0.021 68.237 75.247 1.00 0.00 ATOM 1727 O GLU 236 3.688 67.497 69.851 1.00 0.00 ATOM 1728 C GLU 236 3.835 68.570 70.462 1.00 0.00 ATOM 1729 N LYS 237 4.992 69.228 70.542 1.00 0.00 ATOM 1730 CA LYS 237 6.202 68.796 69.842 1.00 0.00 ATOM 1731 CB LYS 237 7.120 70.006 69.629 1.00 0.00 ATOM 1732 O LYS 237 8.131 67.764 70.906 1.00 0.00 ATOM 1733 C LYS 237 6.926 67.680 70.625 1.00 0.00 ATOM 1734 N VAL 238 6.173 66.620 70.928 1.00 0.00 ATOM 1735 CA VAL 238 6.515 65.647 71.969 1.00 0.00 ATOM 1736 CB VAL 238 5.663 65.915 73.254 1.00 0.00 ATOM 1737 CG1 VAL 238 6.041 64.974 74.375 1.00 0.00 ATOM 1738 CG2 VAL 238 5.832 67.365 73.722 1.00 0.00 ATOM 1739 O VAL 238 5.475 64.043 70.527 1.00 0.00 ATOM 1740 C VAL 238 6.261 64.232 71.446 1.00 0.00 ATOM 1741 N LYS 239 6.948 63.246 72.010 1.00 0.00 ATOM 1742 CA LYS 239 6.752 61.859 71.615 1.00 0.00 ATOM 1743 CB LYS 239 7.936 60.994 72.044 1.00 0.00 ATOM 1744 CG LYS 239 9.281 61.457 71.476 1.00 0.00 ATOM 1745 O LYS 239 5.065 61.792 73.324 1.00 0.00 ATOM 1746 C LYS 239 5.463 61.345 72.242 1.00 0.00 ATOM 1747 N ILE 240 4.815 60.401 71.568 1.00 0.00 ATOM 1748 CA ILE 240 3.509 59.894 72.018 1.00 0.00 ATOM 1749 CB ILE 240 2.937 58.870 71.013 1.00 0.00 ATOM 1750 CG1 ILE 240 1.428 58.631 71.248 1.00 0.00 ATOM 1751 CG2 ILE 240 3.734 57.550 71.069 1.00 0.00 ATOM 1752 CD1 ILE 240 0.550 59.902 71.262 1.00 0.00 ATOM 1753 O ILE 240 2.567 59.248 74.138 1.00 0.00 ATOM 1754 C ILE 240 3.564 59.257 73.411 1.00 0.00 ATOM 1755 N TYR 241 4.738 58.750 73.787 1.00 0.00 ATOM 1756 CA TYR 241 4.904 58.038 75.055 1.00 0.00 ATOM 1757 CB TYR 241 6.320 57.456 75.176 1.00 0.00 ATOM 1758 CG TYR 241 6.602 56.407 74.131 1.00 0.00 ATOM 1759 CD1 TYR 241 6.051 55.127 74.237 1.00 0.00 ATOM 1760 CD2 TYR 241 7.388 56.700 73.015 1.00 0.00 ATOM 1761 CE1 TYR 241 6.292 54.160 73.269 1.00 0.00 ATOM 1762 CE2 TYR 241 7.635 55.736 72.042 1.00 0.00 ATOM 1763 CZ TYR 241 7.086 54.470 72.174 1.00 0.00 ATOM 1764 OH TYR 241 7.337 53.527 71.207 1.00 0.00 ATOM 1765 O TYR 241 4.205 58.314 77.308 1.00 0.00 ATOM 1766 C TYR 241 4.564 58.865 76.280 1.00 0.00 ATOM 1767 N SER 242 4.654 60.187 76.157 1.00 0.00 ATOM 1768 CA SER 242 4.231 61.109 77.218 1.00 0.00 ATOM 1769 CB SER 242 4.448 62.555 76.765 1.00 0.00 ATOM 1770 OG SER 242 5.772 62.726 76.306 1.00 0.00 ATOM 1771 O SER 242 2.392 61.320 78.754 1.00 0.00 ATOM 1772 C SER 242 2.769 60.952 77.631 1.00 0.00 ATOM 1773 N ALA 243 1.949 60.443 76.709 1.00 0.00 ATOM 1774 CA ALA 243 0.503 60.335 76.919 1.00 0.00 ATOM 1775 CB ALA 243 -0.232 60.601 75.605 1.00 0.00 ATOM 1776 O ALA 243 -1.149 58.730 77.605 1.00 0.00 ATOM 1777 C ALA 243 0.060 58.986 77.494 1.00 0.00 ATOM 1778 N GLY 244 1.018 58.129 77.857 1.00 0.00 ATOM 1779 CA GLY 244 0.675 56.854 78.476 1.00 0.00 ATOM 1780 O GLY 244 2.868 56.497 79.319 1.00 0.00 ATOM 1781 C GLY 244 1.833 55.997 78.941 1.00 0.00 ATOM 1782 N GLN 245 1.643 54.689 78.868 1.00 0.00 ATOM 1783 CA GLN 245 2.496 53.715 79.530 1.00 0.00 ATOM 1784 CB GLN 245 1.746 53.242 80.776 1.00 0.00 ATOM 1785 CG GLN 245 2.335 52.086 81.569 1.00 0.00 ATOM 1786 CD GLN 245 1.515 51.793 82.827 1.00 0.00 ATOM 1787 OE1 GLN 245 0.408 52.318 82.999 1.00 0.00 ATOM 1788 NE2 GLN 245 2.058 50.956 83.712 1.00 0.00 ATOM 1789 O GLN 245 1.810 52.130 77.890 1.00 0.00 ATOM 1790 C GLN 245 2.730 52.547 78.579 1.00 0.00 ATOM 1791 N LYS 246 3.950 52.023 78.538 1.00 0.00 ATOM 1792 CA LYS 246 4.235 50.818 77.776 1.00 0.00 ATOM 1793 CB LYS 246 5.745 50.608 77.605 1.00 0.00 ATOM 1794 CG LYS 246 6.485 51.769 76.905 1.00 0.00 ATOM 1795 CD LYS 246 7.965 51.453 76.699 1.00 0.00 ATOM 1796 CE LYS 246 8.593 52.347 75.634 1.00 0.00 ATOM 1797 NZ LYS 246 10.074 52.203 75.520 1.00 0.00 ATOM 1798 O LYS 246 3.649 49.573 79.740 1.00 0.00 ATOM 1799 C LYS 246 3.636 49.617 78.510 1.00 0.00 ATOM 1800 N VAL 247 3.128 48.650 77.751 1.00 0.00 ATOM 1801 CA VAL 247 2.577 47.423 78.310 1.00 0.00 ATOM 1802 CB VAL 247 1.030 47.510 78.470 1.00 0.00 ATOM 1803 CG1 VAL 247 0.609 48.758 79.232 1.00 0.00 ATOM 1804 CG2 VAL 247 0.365 47.519 77.144 1.00 0.00 ATOM 1805 O VAL 247 2.883 46.291 76.188 1.00 0.00 ATOM 1806 C VAL 247 2.927 46.216 77.419 1.00 0.00 ATOM 1807 N THR 248 3.231 45.098 78.053 1.00 0.00 ATOM 1808 CA THR 248 3.632 43.887 77.349 1.00 0.00 ATOM 1809 CB THR 248 5.131 43.590 77.620 1.00 0.00 ATOM 1810 CG2 THR 248 5.541 42.232 77.057 1.00 0.00 ATOM 1811 OG1 THR 248 5.935 44.618 77.025 1.00 0.00 ATOM 1812 O THR 248 2.560 42.528 79.009 1.00 0.00 ATOM 1813 C THR 248 2.760 42.713 77.807 1.00 0.00 ATOM 1814 N ILE 249 2.209 41.946 76.871 1.00 0.00 ATOM 1815 CA ILE 249 1.590 40.671 77.236 1.00 0.00 ATOM 1816 CB ILE 249 0.055 40.622 76.998 1.00 0.00 ATOM 1817 CG1 ILE 249 -0.339 41.202 75.641 1.00 0.00 ATOM 1818 CG2 ILE 249 -0.656 41.397 78.089 1.00 0.00 ATOM 1819 CD1 ILE 249 -1.845 41.152 75.394 1.00 0.00 ATOM 1820 O ILE 249 2.718 39.633 75.390 1.00 0.00 ATOM 1821 C ILE 249 2.299 39.518 76.546 1.00 0.00 ATOM 1822 N LYS 250 2.492 38.440 77.300 1.00 0.00 ATOM 1823 CA LYS 250 3.066 37.217 76.776 1.00 0.00 ATOM 1824 CB LYS 250 4.197 36.726 77.675 1.00 0.00 ATOM 1825 CG LYS 250 5.399 37.661 77.791 1.00 0.00 ATOM 1826 CD LYS 250 6.520 36.954 78.556 1.00 0.00 ATOM 1827 CE LYS 250 7.765 37.816 78.734 1.00 0.00 ATOM 1828 NZ LYS 250 7.528 38.958 79.656 1.00 0.00 ATOM 1829 O LYS 250 1.062 36.032 77.422 1.00 0.00 ATOM 1830 C LYS 250 2.024 36.108 76.648 1.00 0.00 ATOM 1831 N LYS 251 2.241 35.235 75.670 1.00 0.00 ATOM 1832 CA LYS 251 1.407 34.049 75.477 1.00 0.00 ATOM 1833 CB LYS 251 1.795 33.364 74.171 1.00 0.00 ATOM 1834 CG LYS 251 1.124 32.057 73.917 1.00 0.00 ATOM 1835 CD LYS 251 1.527 31.505 72.575 1.00 0.00 ATOM 1836 CE LYS 251 0.860 30.165 72.333 1.00 0.00 ATOM 1837 NZ LYS 251 0.613 29.924 70.885 1.00 0.00 ATOM 1838 O LYS 251 2.678 32.823 77.139 1.00 0.00 ATOM 1839 C LYS 251 1.566 33.086 76.663 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file T0321.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0321)R194.C and (T0321)R195.C only 0.000 apart, marking (T0321)R195.C as missing WARNING: atoms too close: (T0321)R195.N and (T0321)I196.N only 0.000 apart, marking (T0321)R195.N as missing WARNING: atoms too close: (T0321)R195.CA and (T0321)I196.CA only 0.000 apart, marking (T0321)R195.CA as missing WARNING: atoms too close: (T0321)K223.C and (T0321)R227.C only 0.000 apart, marking (T0321)R227.C as missing WARNING: atoms too close: (T0321)D224.N and (T0321)A228.N only 0.000 apart, marking (T0321)D224.N as missing WARNING: atoms too close: (T0321)D224.CA and (T0321)A228.CA only 0.000 apart, marking (T0321)D224.CA as missing # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.389 # GDT_score = -19.467 # GDT_score(maxd=8.000,maxw=2.900)= -19.848 # GDT_score(maxd=8.000,maxw=3.200)= -18.660 # GDT_score(maxd=8.000,maxw=3.500)= -17.599 # GDT_score(maxd=10.000,maxw=3.800)= -19.064 # GDT_score(maxd=10.000,maxw=4.000)= -18.380 # GDT_score(maxd=10.000,maxw=4.200)= -17.739 # GDT_score(maxd=12.000,maxw=4.300)= -19.369 # GDT_score(maxd=12.000,maxw=4.500)= -18.727 # GDT_score(maxd=12.000,maxw=4.700)= -18.116 # GDT_score(maxd=14.000,maxw=5.200)= -18.209 # GDT_score(maxd=14.000,maxw=5.500)= -17.394 # command:# ReadConformPDB reading from PDB file T0321.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0321)I30.C and (T0321)R31.C only 0.000 apart, marking (T0321)R31.C as missing WARNING: atoms too close: (T0321)R31.N and (T0321)S32.N only 0.000 apart, marking (T0321)R31.N as missing WARNING: atoms too close: (T0321)R31.CA and (T0321)S32.CA only 0.000 apart, marking (T0321)R31.CA as missing WARNING: atoms too close: (T0321)N54.C and (T0321)V62.C only 0.000 apart, marking (T0321)V62.C as missing WARNING: atoms too close: (T0321)L55.N and (T0321)A63.N only 0.000 apart, marking (T0321)L55.N as missing WARNING: atoms too close: (T0321)L55.CA and (T0321)A63.CA only 0.000 apart, marking (T0321)L55.CA as missing WARNING: atoms too close: (T0321)S69.C and (T0321)Y72.C only 0.000 apart, marking (T0321)Y72.C as missing WARNING: atoms too close: (T0321)W70.N and (T0321)V73.N only 0.000 apart, marking (T0321)W70.N as missing WARNING: atoms too close: (T0321)W70.CA and (T0321)V73.CA only 0.000 apart, marking (T0321)W70.CA as missing WARNING: atoms too close: (T0321)F99.C and (T0321)A102.C only 0.000 apart, marking (T0321)A102.C as missing WARNING: atoms too close: (T0321)S100.N and (T0321)K103.N only 0.000 apart, marking (T0321)S100.N as missing WARNING: atoms too close: (T0321)S100.CA and (T0321)K103.CA only 0.000 apart, marking (T0321)S100.CA as missing # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.824 # GDT_score = -21.516 # GDT_score(maxd=8.000,maxw=2.900)= -21.100 # GDT_score(maxd=8.000,maxw=3.200)= -19.874 # GDT_score(maxd=8.000,maxw=3.500)= -18.778 # GDT_score(maxd=10.000,maxw=3.800)= -20.506 # GDT_score(maxd=10.000,maxw=4.000)= -19.794 # GDT_score(maxd=10.000,maxw=4.200)= -19.117 # GDT_score(maxd=12.000,maxw=4.300)= -20.965 # GDT_score(maxd=12.000,maxw=4.500)= -20.275 # GDT_score(maxd=12.000,maxw=4.700)= -19.614 # GDT_score(maxd=14.000,maxw=5.200)= -19.739 # GDT_score(maxd=14.000,maxw=5.500)= -18.873 # command:# ReadConformPDB reading from PDB file T0321.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0321)I12.C and (T0321)L17.C only 0.000 apart, marking (T0321)L17.C as missing WARNING: atoms too close: (T0321)P13.N and (T0321)V18.N only 0.000 apart, marking (T0321)P13.N as missing WARNING: atoms too close: (T0321)P13.CA and (T0321)V18.CA only 0.000 apart, marking (T0321)P13.CA as missing WARNING: atoms too close: (T0321)V29.C and (T0321)L38.C only 0.000 apart, marking (T0321)L38.C as missing WARNING: atoms too close: (T0321)I30.N and (T0321)G39.N only 0.000 apart, marking (T0321)I30.N as missing WARNING: atoms too close: (T0321)I30.CA and (T0321)G39.CA only 0.000 apart, marking (T0321)I30.CA as missing WARNING: atoms too close: (T0321)R42.C and (T0321)L56.C only 0.000 apart, marking (T0321)L56.C as missing WARNING: atoms too close: (T0321)P43.N and (T0321)G57.N only 0.000 apart, marking (T0321)P43.N as missing WARNING: atoms too close: (T0321)P43.CA and (T0321)G57.CA only 0.000 apart, marking (T0321)P43.CA as missing WARNING: atoms too close: (T0321)S69.C and (T0321)E74.C only 0.000 apart, marking (T0321)E74.C as missing WARNING: atoms too close: (T0321)W70.N and (T0321)A75.N only 0.000 apart, marking (T0321)W70.N as missing WARNING: atoms too close: (T0321)W70.CA and (T0321)A75.CA only 0.000 apart, marking (T0321)W70.CA as missing WARNING: atoms too close: (T0321)N87.C and (T0321)Q90.C only 0.000 apart, marking (T0321)Q90.C as missing WARNING: atoms too close: (T0321)N88.N and (T0321)V91.N only 0.000 apart, marking (T0321)N88.N as missing WARNING: atoms too close: (T0321)N88.CA and (T0321)V91.CA only 0.000 apart, marking (T0321)N88.CA as missing WARNING: atoms too close: (T0321)G96.C and (T0321)D101.C only 0.000 apart, marking (T0321)D101.C as missing WARNING: atoms too close: (T0321)V97.N and (T0321)A102.N only 0.000 apart, marking (T0321)V97.N as missing WARNING: atoms too close: (T0321)V97.CA and (T0321)A102.CA only 0.000 apart, marking (T0321)V97.CA as missing WARNING: atoms too close: (T0321)D111.C and (T0321)Q117.C only 0.000 apart, marking (T0321)Q117.C as missing WARNING: atoms too close: (T0321)P112.N and (T0321)N118.N only 0.000 apart, marking (T0321)P112.N as missing WARNING: atoms too close: (T0321)P112.CA and (T0321)N118.CA only 0.000 apart, marking (T0321)P112.CA as missing WARNING: atoms too close: (T0321)P157.C and (T0321)A160.C only 0.000 apart, marking (T0321)A160.C as missing WARNING: atoms too close: (T0321)L158.N and (T0321)S161.N only 0.000 apart, marking (T0321)L158.N as missing WARNING: atoms too close: (T0321)L158.CA and (T0321)S161.CA only 0.000 apart, marking (T0321)L158.CA as missing WARNING: atoms too close: (T0321)R194.C and (T0321)R195.C only 0.000 apart, marking (T0321)R195.C as missing WARNING: atoms too close: (T0321)R195.N and (T0321)I196.N only 0.000 apart, marking (T0321)R195.N as missing WARNING: atoms too close: (T0321)R195.CA and (T0321)I196.CA only 0.000 apart, marking (T0321)R195.CA as missing WARNING: atoms too close: (T0321)A206.C and (T0321)K223.C only 0.000 apart, marking (T0321)K223.C as missing WARNING: atoms too close: (T0321)P207.N and (T0321)D224.N only 0.000 apart, marking (T0321)P207.N as missing WARNING: atoms too close: (T0321)P207.CA and (T0321)D224.CA only 0.000 apart, marking (T0321)P207.CA as missing # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0321.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0321)E14.C and (T0321)D15.C only 0.000 apart, marking (T0321)D15.C as missing WARNING: atoms too close: (T0321)D15.N and (T0321)F16.N only 0.000 apart, marking (T0321)D15.N as missing WARNING: atoms too close: (T0321)D15.CA and (T0321)F16.CA only 0.000 apart, marking (T0321)D15.CA as missing WARNING: atoms too close: (T0321)L17.C and (T0321)E20.C only 0.000 apart, marking (T0321)E20.C as missing WARNING: atoms too close: (T0321)V18.N and (T0321)L21.N only 0.000 apart, marking (T0321)V18.N as missing WARNING: atoms too close: (T0321)V18.CA and (T0321)L21.CA only 0.000 apart, marking (T0321)V18.CA as missing WARNING: atoms too close: (T0321)Q53.C and (T0321)C66.C only 0.000 apart, marking (T0321)C66.C as missing WARNING: atoms too close: (T0321)N54.N and (T0321)V67.N only 0.000 apart, marking (T0321)N54.N as missing WARNING: atoms too close: (T0321)N54.CA and (T0321)V67.CA only 0.000 apart, marking (T0321)N54.CA as missing WARNING: atoms too close: (T0321)A80.C and (T0321)I82.C only 0.000 apart, marking (T0321)I82.C as missing WARNING: atoms too close: (T0321)A81.N and (T0321)N83.N only 0.000 apart, marking (T0321)A81.N as missing WARNING: atoms too close: (T0321)A81.CA and (T0321)N83.CA only 0.000 apart, marking (T0321)A81.CA as missing WARNING: atoms too close: (T0321)E106.C and (T0321)N118.C only 0.000 apart, marking (T0321)N118.C as missing WARNING: atoms too close: (T0321)D107.N and (T0321)E119.N only 0.000 apart, marking (T0321)D107.N as missing WARNING: atoms too close: (T0321)D107.CA and (T0321)E119.CA only 0.000 apart, marking (T0321)D107.CA as missing WARNING: atoms too close: (T0321)P159.C and (T0321)E162.C only 0.000 apart, marking (T0321)E162.C as missing WARNING: atoms too close: (T0321)A160.N and (T0321)F163.N only 0.000 apart, marking (T0321)A160.N as missing WARNING: atoms too close: (T0321)A160.CA and (T0321)F163.CA only 0.000 apart, marking (T0321)A160.CA as missing WARNING: atoms too close: (T0321)D180.C and (T0321)L183.C only 0.000 apart, marking (T0321)L183.C as missing WARNING: atoms too close: (T0321)K181.N and (T0321)P184.N only 0.000 apart, marking (T0321)K181.N as missing WARNING: atoms too close: (T0321)K181.CA and (T0321)P184.CA only 0.000 apart, marking (T0321)K181.CA as missing WARNING: atoms too close: (T0321)R194.C and (T0321)I196.C only 0.000 apart, marking (T0321)I196.C as missing WARNING: atoms too close: (T0321)R195.N and (T0321)T197.N only 0.000 apart, marking (T0321)R195.N as missing WARNING: atoms too close: (T0321)R195.CA and (T0321)T197.CA only 0.000 apart, marking (T0321)R195.CA as missing WARNING: atoms too close: (T0321)L205.C and (T0321)M221.C only 0.000 apart, marking (T0321)M221.C as missing WARNING: atoms too close: (T0321)A206.N and (T0321)V222.N only 0.000 apart, marking (T0321)A206.N as missing WARNING: atoms too close: (T0321)A206.CA and (T0321)V222.CA only 0.000 apart, marking (T0321)A206.CA as missing # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0321.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0321)N71.C and (T0321)Y72.C only 0.000 apart, marking (T0321)Y72.C as missing WARNING: atoms too close: (T0321)Y72.N and (T0321)V73.N only 0.000 apart, marking (T0321)Y72.N as missing WARNING: atoms too close: (T0321)Y72.CA and (T0321)V73.CA only 0.000 apart, marking (T0321)Y72.CA as missing WARNING: atoms too close: (T0321)P89.C and (T0321)A102.C only 0.000 apart, marking (T0321)A102.C as missing WARNING: atoms too close: (T0321)Q90.N and (T0321)K103.N only 0.000 apart, marking (T0321)Q90.N as missing WARNING: atoms too close: (T0321)Q90.CA and (T0321)K103.CA only 0.000 apart, marking (T0321)Q90.CA as missing WARNING: atoms too close: (T0321)K103.C and (T0321)Q117.C only 0.000 apart, marking (T0321)Q117.C as missing WARNING: atoms too close: (T0321)R104.N and (T0321)N118.N only 0.000 apart, marking (T0321)R104.N as missing WARNING: atoms too close: (T0321)R104.CA and (T0321)N118.CA only 0.000 apart, marking (T0321)R104.CA as missing WARNING: atoms too close: (T0321)P157.C and (T0321)A160.C only 0.000 apart, marking (T0321)A160.C as missing WARNING: atoms too close: (T0321)L158.N and (T0321)S161.N only 0.000 apart, marking (T0321)L158.N as missing WARNING: atoms too close: (T0321)L158.CA and (T0321)S161.CA only 0.000 apart, marking (T0321)L158.CA as missing WARNING: atoms too close: (T0321)Y170.C and (T0321)V171.C only 0.000 apart, marking (T0321)V171.C as missing WARNING: atoms too close: (T0321)V171.N and (T0321)Y172.N only 0.000 apart, marking (T0321)V171.N as missing WARNING: atoms too close: (T0321)V171.CA and (T0321)Y172.CA only 0.000 apart, marking (T0321)V171.CA as missing WARNING: atoms too close: (T0321)L187.C and (T0321)E188.C only 0.000 apart, marking (T0321)E188.C as missing WARNING: atoms too close: (T0321)E188.N and (T0321)L189.N only 0.000 apart, marking (T0321)E188.N as missing WARNING: atoms too close: (T0321)E188.CA and (T0321)L189.CA only 0.000 apart, marking (T0321)E188.CA as missing WARNING: atoms too close: (T0321)E216.C and (T0321)V238.C only 0.000 apart, marking (T0321)V238.C as missing WARNING: atoms too close: (T0321)L217.N and (T0321)K239.N only 0.000 apart, marking (T0321)L217.N as missing WARNING: atoms too close: (T0321)L217.CA and (T0321)K239.CA only 0.000 apart, marking (T0321)L217.CA as missing # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # command:# naming current conformation align5 # command:# Prefix for input files set to decoys/ # command:# reading script from file read-pdb+servers.under # ReadConformPDB reading from PDB file ../model1.ts-submitted looking for model 1 # Found a chain break before 249 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 244 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 244 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 249 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # Found a chain break before 248 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 249 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 249 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 249 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 249 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 241 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 241 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 205 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 245 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 245 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 241 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 241 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try11-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 205 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try11-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 205 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 241 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try11-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 241 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 245 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 245 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try12-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 249 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try12-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 249 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 249 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 249 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try13-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 206 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try13-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 206 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 249 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try13-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 249 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try14-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 249 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try14-opt1.pdb.gz looking for model 1 # Found a chain break before 249 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try14-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 219 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try14-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 219 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try14-opt2.pdb.gz looking for model 1 # Found a chain break before 249 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try14-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 249 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try15-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 241 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try15-opt1.pdb.gz looking for model 1 # Found a chain break before 241 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try15-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 205 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try15-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 205 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try15-opt2.pdb.gz looking for model 1 # Found a chain break before 244 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try15-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 244 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try16-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 244 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try16-opt1.pdb.gz looking for model 1 # Found a chain break before 244 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try16-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 212 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try16-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 212 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try16-opt2.pdb.gz looking for model 1 # Found a chain break before 244 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try16-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 244 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try17-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 244 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try17-opt1.pdb.gz looking for model 1 # Found a chain break before 244 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try17-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try17-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try17-opt2.pdb.gz looking for model 1 # Found a chain break before 244 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try17-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 244 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 243 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 243 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 243 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 243 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 248 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 248 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 247 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 247 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 248 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 248 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 248 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 248 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 248 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 248 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 233 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 249 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 249 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 245 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 245 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 245 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 245 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 245 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 245 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 245 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 245 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 241 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 241 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 241 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0321.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 241 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera-domains.pdb.gz looking for model 1 # Found a chain break before 240 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera-domains2.pdb.gz looking for model 1 # Found a chain break before 248 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera-try15-domain1-try5.models.pdb.gz looking for model 1 # Found a chain break before 244 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_601521920.pdb -s /var/tmp/to_scwrl_601521920.seq -o /var/tmp/from_scwrl_601521920.pdb > /var/tmp/scwrl_601521920.log sh: /var/tmp/scwrl_601521920.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_601521920.pdb or /var/tmp/from_scwrl_601521920.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_601521920_b.pdb or decoys//var/tmp/from_scwrl_601521920_b.pdb.gz for input Trying /var/tmp/from_scwrl_601521920_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_601521920_b.pdb or /var/tmp/from_scwrl_601521920_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_601521920_a.pdb or decoys//var/tmp/from_scwrl_601521920_a.pdb.gz for input Trying /var/tmp/from_scwrl_601521920_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_601521920_a.pdb or /var/tmp/from_scwrl_601521920_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_601521920.pdb or /var/tmp/from_scwrl_601521920_b.pdb or /var/tmp/from_scwrl_601521920_a.pdb Error: no new SCWRL conformation added # naming current conformation 3D-JIGSAW_POPULUS_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_137530289.pdb -s /var/tmp/to_scwrl_137530289.seq -o /var/tmp/from_scwrl_137530289.pdb > /var/tmp/scwrl_137530289.log sh: /var/tmp/scwrl_137530289.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_137530289.pdb or /var/tmp/from_scwrl_137530289.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_137530289_b.pdb or decoys//var/tmp/from_scwrl_137530289_b.pdb.gz for input Trying /var/tmp/from_scwrl_137530289_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_137530289_b.pdb or /var/tmp/from_scwrl_137530289_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_137530289_a.pdb or decoys//var/tmp/from_scwrl_137530289_a.pdb.gz for input Trying /var/tmp/from_scwrl_137530289_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_137530289_a.pdb or /var/tmp/from_scwrl_137530289_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_137530289.pdb or /var/tmp/from_scwrl_137530289_b.pdb or /var/tmp/from_scwrl_137530289_a.pdb Error: no new SCWRL conformation added # naming current conformation 3D-JIGSAW_POPULUS_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_129269801.pdb -s /var/tmp/to_scwrl_129269801.seq -o /var/tmp/from_scwrl_129269801.pdb > /var/tmp/scwrl_129269801.log sh: /var/tmp/scwrl_129269801.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_129269801.pdb or /var/tmp/from_scwrl_129269801.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_129269801_b.pdb or decoys//var/tmp/from_scwrl_129269801_b.pdb.gz for input Trying /var/tmp/from_scwrl_129269801_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_129269801_b.pdb or /var/tmp/from_scwrl_129269801_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_129269801_a.pdb or decoys//var/tmp/from_scwrl_129269801_a.pdb.gz for input Trying /var/tmp/from_scwrl_129269801_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_129269801_a.pdb or /var/tmp/from_scwrl_129269801_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_129269801.pdb or /var/tmp/from_scwrl_129269801_b.pdb or /var/tmp/from_scwrl_129269801_a.pdb Error: no new SCWRL conformation added # naming current conformation 3D-JIGSAW_POPULUS_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1628316996.pdb -s /var/tmp/to_scwrl_1628316996.seq -o /var/tmp/from_scwrl_1628316996.pdb > /var/tmp/scwrl_1628316996.log sh: /var/tmp/scwrl_1628316996.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1628316996.pdb or /var/tmp/from_scwrl_1628316996.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1628316996_b.pdb or decoys//var/tmp/from_scwrl_1628316996_b.pdb.gz for input Trying /var/tmp/from_scwrl_1628316996_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1628316996_b.pdb or /var/tmp/from_scwrl_1628316996_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1628316996_a.pdb or decoys//var/tmp/from_scwrl_1628316996_a.pdb.gz for input Trying /var/tmp/from_scwrl_1628316996_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1628316996_a.pdb or /var/tmp/from_scwrl_1628316996_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1628316996.pdb or /var/tmp/from_scwrl_1628316996_b.pdb or /var/tmp/from_scwrl_1628316996_a.pdb Error: no new SCWRL conformation added # naming current conformation 3D-JIGSAW_POPULUS_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1456080819.pdb -s /var/tmp/to_scwrl_1456080819.seq -o /var/tmp/from_scwrl_1456080819.pdb > /var/tmp/scwrl_1456080819.log sh: /var/tmp/scwrl_1456080819.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1456080819.pdb or /var/tmp/from_scwrl_1456080819.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1456080819_b.pdb or decoys//var/tmp/from_scwrl_1456080819_b.pdb.gz for input Trying /var/tmp/from_scwrl_1456080819_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1456080819_b.pdb or /var/tmp/from_scwrl_1456080819_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1456080819_a.pdb or decoys//var/tmp/from_scwrl_1456080819_a.pdb.gz for input Trying /var/tmp/from_scwrl_1456080819_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1456080819_a.pdb or /var/tmp/from_scwrl_1456080819_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1456080819.pdb or /var/tmp/from_scwrl_1456080819_b.pdb or /var/tmp/from_scwrl_1456080819_a.pdb Error: no new SCWRL conformation added # naming current conformation 3D-JIGSAW_POPULUS_TS5-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_39802556.pdb -s /var/tmp/to_scwrl_39802556.seq -o /var/tmp/from_scwrl_39802556.pdb > /var/tmp/scwrl_39802556.log sh: /var/tmp/scwrl_39802556.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_39802556.pdb or /var/tmp/from_scwrl_39802556.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_39802556_b.pdb or decoys//var/tmp/from_scwrl_39802556_b.pdb.gz for input Trying /var/tmp/from_scwrl_39802556_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_39802556_b.pdb or /var/tmp/from_scwrl_39802556_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_39802556_a.pdb or decoys//var/tmp/from_scwrl_39802556_a.pdb.gz for input Trying /var/tmp/from_scwrl_39802556_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_39802556_a.pdb or /var/tmp/from_scwrl_39802556_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_39802556.pdb or /var/tmp/from_scwrl_39802556_b.pdb or /var/tmp/from_scwrl_39802556_a.pdb Error: no new SCWRL conformation added # naming current conformation 3D-JIGSAW_RECOM_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_2019182279.pdb -s /var/tmp/to_scwrl_2019182279.seq -o /var/tmp/from_scwrl_2019182279.pdb > /var/tmp/scwrl_2019182279.log sh: /var/tmp/scwrl_2019182279.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2019182279.pdb or /var/tmp/from_scwrl_2019182279.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2019182279_b.pdb or decoys//var/tmp/from_scwrl_2019182279_b.pdb.gz for input Trying /var/tmp/from_scwrl_2019182279_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2019182279_b.pdb or /var/tmp/from_scwrl_2019182279_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2019182279_a.pdb or decoys//var/tmp/from_scwrl_2019182279_a.pdb.gz for input Trying /var/tmp/from_scwrl_2019182279_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2019182279_a.pdb or /var/tmp/from_scwrl_2019182279_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2019182279.pdb or /var/tmp/from_scwrl_2019182279_b.pdb or /var/tmp/from_scwrl_2019182279_a.pdb Error: no new SCWRL conformation added # naming current conformation 3D-JIGSAW_RECOM_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_700621850.pdb -s /var/tmp/to_scwrl_700621850.seq -o /var/tmp/from_scwrl_700621850.pdb > /var/tmp/scwrl_700621850.log sh: /var/tmp/scwrl_700621850.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_700621850.pdb or /var/tmp/from_scwrl_700621850.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_700621850_b.pdb or decoys//var/tmp/from_scwrl_700621850_b.pdb.gz for input Trying /var/tmp/from_scwrl_700621850_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_700621850_b.pdb or /var/tmp/from_scwrl_700621850_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_700621850_a.pdb or decoys//var/tmp/from_scwrl_700621850_a.pdb.gz for input Trying /var/tmp/from_scwrl_700621850_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_700621850_a.pdb or /var/tmp/from_scwrl_700621850_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_700621850.pdb or /var/tmp/from_scwrl_700621850_b.pdb or /var/tmp/from_scwrl_700621850_a.pdb Error: no new SCWRL conformation added # naming current conformation 3D-JIGSAW_RECOM_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_431137217.pdb -s /var/tmp/to_scwrl_431137217.seq -o /var/tmp/from_scwrl_431137217.pdb > /var/tmp/scwrl_431137217.log sh: /var/tmp/scwrl_431137217.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_431137217.pdb or /var/tmp/from_scwrl_431137217.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_431137217_b.pdb or decoys//var/tmp/from_scwrl_431137217_b.pdb.gz for input Trying /var/tmp/from_scwrl_431137217_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_431137217_b.pdb or /var/tmp/from_scwrl_431137217_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_431137217_a.pdb or decoys//var/tmp/from_scwrl_431137217_a.pdb.gz for input Trying /var/tmp/from_scwrl_431137217_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_431137217_a.pdb or /var/tmp/from_scwrl_431137217_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_431137217.pdb or /var/tmp/from_scwrl_431137217_b.pdb or /var/tmp/from_scwrl_431137217_a.pdb Error: no new SCWRL conformation added # naming current conformation 3D-JIGSAW_RECOM_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1935821997.pdb -s /var/tmp/to_scwrl_1935821997.seq -o /var/tmp/from_scwrl_1935821997.pdb > /var/tmp/scwrl_1935821997.log sh: /var/tmp/scwrl_1935821997.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1935821997.pdb or /var/tmp/from_scwrl_1935821997.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1935821997_b.pdb or decoys//var/tmp/from_scwrl_1935821997_b.pdb.gz for input Trying /var/tmp/from_scwrl_1935821997_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1935821997_b.pdb or /var/tmp/from_scwrl_1935821997_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1935821997_a.pdb or decoys//var/tmp/from_scwrl_1935821997_a.pdb.gz for input Trying /var/tmp/from_scwrl_1935821997_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1935821997_a.pdb or /var/tmp/from_scwrl_1935821997_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1935821997.pdb or /var/tmp/from_scwrl_1935821997_b.pdb or /var/tmp/from_scwrl_1935821997_a.pdb Error: no new SCWRL conformation added # naming current conformation 3D-JIGSAW_RECOM_TS5-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1304249784.pdb -s /var/tmp/to_scwrl_1304249784.seq -o /var/tmp/from_scwrl_1304249784.pdb > /var/tmp/scwrl_1304249784.log sh: /var/tmp/scwrl_1304249784.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1304249784.pdb or /var/tmp/from_scwrl_1304249784.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1304249784_b.pdb or decoys//var/tmp/from_scwrl_1304249784_b.pdb.gz for input Trying /var/tmp/from_scwrl_1304249784_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1304249784_b.pdb or /var/tmp/from_scwrl_1304249784_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1304249784_a.pdb or decoys//var/tmp/from_scwrl_1304249784_a.pdb.gz for input Trying /var/tmp/from_scwrl_1304249784_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1304249784_a.pdb or /var/tmp/from_scwrl_1304249784_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1304249784.pdb or /var/tmp/from_scwrl_1304249784_b.pdb or /var/tmp/from_scwrl_1304249784_a.pdb Error: no new SCWRL conformation added # naming current conformation 3D-JIGSAW_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1402402668.pdb -s /var/tmp/to_scwrl_1402402668.seq -o /var/tmp/from_scwrl_1402402668.pdb > /var/tmp/scwrl_1402402668.log sh: /var/tmp/scwrl_1402402668.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1402402668.pdb or /var/tmp/from_scwrl_1402402668.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1402402668_b.pdb or decoys//var/tmp/from_scwrl_1402402668_b.pdb.gz for input Trying /var/tmp/from_scwrl_1402402668_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1402402668_b.pdb or /var/tmp/from_scwrl_1402402668_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1402402668_a.pdb or decoys//var/tmp/from_scwrl_1402402668_a.pdb.gz for input Trying /var/tmp/from_scwrl_1402402668_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1402402668_a.pdb or /var/tmp/from_scwrl_1402402668_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1402402668.pdb or /var/tmp/from_scwrl_1402402668_b.pdb or /var/tmp/from_scwrl_1402402668_a.pdb Error: no new SCWRL conformation added # naming current conformation 3D-JIGSAW_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1733004768.pdb -s /var/tmp/to_scwrl_1733004768.seq -o /var/tmp/from_scwrl_1733004768.pdb > /var/tmp/scwrl_1733004768.log sh: /var/tmp/scwrl_1733004768.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1733004768.pdb or /var/tmp/from_scwrl_1733004768.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1733004768_b.pdb or decoys//var/tmp/from_scwrl_1733004768_b.pdb.gz for input Trying /var/tmp/from_scwrl_1733004768_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1733004768_b.pdb or /var/tmp/from_scwrl_1733004768_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1733004768_a.pdb or decoys//var/tmp/from_scwrl_1733004768_a.pdb.gz for input Trying /var/tmp/from_scwrl_1733004768_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1733004768_a.pdb or /var/tmp/from_scwrl_1733004768_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1733004768.pdb or /var/tmp/from_scwrl_1733004768_b.pdb or /var/tmp/from_scwrl_1733004768_a.pdb Error: no new SCWRL conformation added # naming current conformation 3D-JIGSAW_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_541770599.pdb -s /var/tmp/to_scwrl_541770599.seq -o /var/tmp/from_scwrl_541770599.pdb > /var/tmp/scwrl_541770599.log sh: /var/tmp/scwrl_541770599.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_541770599.pdb or /var/tmp/from_scwrl_541770599.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_541770599_b.pdb or decoys//var/tmp/from_scwrl_541770599_b.pdb.gz for input Trying /var/tmp/from_scwrl_541770599_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_541770599_b.pdb or /var/tmp/from_scwrl_541770599_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_541770599_a.pdb or decoys//var/tmp/from_scwrl_541770599_a.pdb.gz for input Trying /var/tmp/from_scwrl_541770599_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_541770599_a.pdb or /var/tmp/from_scwrl_541770599_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_541770599.pdb or /var/tmp/from_scwrl_541770599_b.pdb or /var/tmp/from_scwrl_541770599_a.pdb Error: no new SCWRL conformation added # naming current conformation 3D-JIGSAW_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_601329798.pdb -s /var/tmp/to_scwrl_601329798.seq -o /var/tmp/from_scwrl_601329798.pdb > /var/tmp/scwrl_601329798.log sh: /var/tmp/scwrl_601329798.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_601329798.pdb or /var/tmp/from_scwrl_601329798.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_601329798_b.pdb or decoys//var/tmp/from_scwrl_601329798_b.pdb.gz for input Trying /var/tmp/from_scwrl_601329798_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_601329798_b.pdb or /var/tmp/from_scwrl_601329798_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_601329798_a.pdb or decoys//var/tmp/from_scwrl_601329798_a.pdb.gz for input Trying /var/tmp/from_scwrl_601329798_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_601329798_a.pdb or /var/tmp/from_scwrl_601329798_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_601329798.pdb or /var/tmp/from_scwrl_601329798_b.pdb or /var/tmp/from_scwrl_601329798_a.pdb Error: no new SCWRL conformation added # naming current conformation 3D-JIGSAW_TS5-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # Found a chain break before 182 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_388437357.pdb -s /var/tmp/to_scwrl_388437357.seq -o /var/tmp/from_scwrl_388437357.pdb > /var/tmp/scwrl_388437357.log sh: /var/tmp/scwrl_388437357.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_388437357.pdb or /var/tmp/from_scwrl_388437357.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_388437357_b.pdb or decoys//var/tmp/from_scwrl_388437357_b.pdb.gz for input Trying /var/tmp/from_scwrl_388437357_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_388437357_b.pdb or /var/tmp/from_scwrl_388437357_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_388437357_a.pdb or decoys//var/tmp/from_scwrl_388437357_a.pdb.gz for input Trying /var/tmp/from_scwrl_388437357_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_388437357_a.pdb or /var/tmp/from_scwrl_388437357_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_388437357.pdb or /var/tmp/from_scwrl_388437357_b.pdb or /var/tmp/from_scwrl_388437357_a.pdb Error: no new SCWRL conformation added # naming current conformation 3Dpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS2.pdb.gz looking for model 1 # Found a chain break before 211 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_971479472.pdb -s /var/tmp/to_scwrl_971479472.seq -o /var/tmp/from_scwrl_971479472.pdb > /var/tmp/scwrl_971479472.log sh: /var/tmp/scwrl_971479472.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_971479472.pdb or /var/tmp/from_scwrl_971479472.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_971479472_b.pdb or decoys//var/tmp/from_scwrl_971479472_b.pdb.gz for input Trying /var/tmp/from_scwrl_971479472_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_971479472_b.pdb or /var/tmp/from_scwrl_971479472_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_971479472_a.pdb or decoys//var/tmp/from_scwrl_971479472_a.pdb.gz for input Trying /var/tmp/from_scwrl_971479472_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_971479472_a.pdb or /var/tmp/from_scwrl_971479472_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_971479472.pdb or /var/tmp/from_scwrl_971479472_b.pdb or /var/tmp/from_scwrl_971479472_a.pdb Error: no new SCWRL conformation added # naming current conformation 3Dpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS3.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1867392060.pdb -s /var/tmp/to_scwrl_1867392060.seq -o /var/tmp/from_scwrl_1867392060.pdb > /var/tmp/scwrl_1867392060.log sh: /var/tmp/scwrl_1867392060.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1867392060.pdb or /var/tmp/from_scwrl_1867392060.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1867392060_b.pdb or decoys//var/tmp/from_scwrl_1867392060_b.pdb.gz for input Trying /var/tmp/from_scwrl_1867392060_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1867392060_b.pdb or /var/tmp/from_scwrl_1867392060_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1867392060_a.pdb or decoys//var/tmp/from_scwrl_1867392060_a.pdb.gz for input Trying /var/tmp/from_scwrl_1867392060_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1867392060_a.pdb or /var/tmp/from_scwrl_1867392060_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1867392060.pdb or /var/tmp/from_scwrl_1867392060_b.pdb or /var/tmp/from_scwrl_1867392060_a.pdb Error: no new SCWRL conformation added # naming current conformation 3Dpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS4.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_902085204.pdb -s /var/tmp/to_scwrl_902085204.seq -o /var/tmp/from_scwrl_902085204.pdb > /var/tmp/scwrl_902085204.log sh: /var/tmp/scwrl_902085204.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_902085204.pdb or /var/tmp/from_scwrl_902085204.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_902085204_b.pdb or decoys//var/tmp/from_scwrl_902085204_b.pdb.gz for input Trying /var/tmp/from_scwrl_902085204_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_902085204_b.pdb or /var/tmp/from_scwrl_902085204_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_902085204_a.pdb or decoys//var/tmp/from_scwrl_902085204_a.pdb.gz for input Trying /var/tmp/from_scwrl_902085204_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_902085204_a.pdb or /var/tmp/from_scwrl_902085204_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_902085204.pdb or /var/tmp/from_scwrl_902085204_b.pdb or /var/tmp/from_scwrl_902085204_a.pdb Error: no new SCWRL conformation added # naming current conformation 3Dpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS5.pdb.gz looking for model 1 # Found a chain break before 216 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_154998015.pdb -s /var/tmp/to_scwrl_154998015.seq -o /var/tmp/from_scwrl_154998015.pdb > /var/tmp/scwrl_154998015.log sh: /var/tmp/scwrl_154998015.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_154998015.pdb or /var/tmp/from_scwrl_154998015.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_154998015_b.pdb or decoys//var/tmp/from_scwrl_154998015_b.pdb.gz for input Trying /var/tmp/from_scwrl_154998015_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_154998015_b.pdb or /var/tmp/from_scwrl_154998015_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_154998015_a.pdb or decoys//var/tmp/from_scwrl_154998015_a.pdb.gz for input Trying /var/tmp/from_scwrl_154998015_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_154998015_a.pdb or /var/tmp/from_scwrl_154998015_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_154998015.pdb or /var/tmp/from_scwrl_154998015_b.pdb or /var/tmp/from_scwrl_154998015_a.pdb Error: no new SCWRL conformation added # naming current conformation 3Dpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS1.pdb.gz looking for model 1 # Found a chain break before 249 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1502517693.pdb -s /var/tmp/to_scwrl_1502517693.seq -o /var/tmp/from_scwrl_1502517693.pdb > /var/tmp/scwrl_1502517693.log sh: /var/tmp/scwrl_1502517693.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1502517693.pdb or /var/tmp/from_scwrl_1502517693.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1502517693_b.pdb or decoys//var/tmp/from_scwrl_1502517693_b.pdb.gz for input Trying /var/tmp/from_scwrl_1502517693_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1502517693_b.pdb or /var/tmp/from_scwrl_1502517693_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1502517693_a.pdb or decoys//var/tmp/from_scwrl_1502517693_a.pdb.gz for input Trying /var/tmp/from_scwrl_1502517693_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1502517693_a.pdb or /var/tmp/from_scwrl_1502517693_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1502517693.pdb or /var/tmp/from_scwrl_1502517693_b.pdb or /var/tmp/from_scwrl_1502517693_a.pdb Error: no new SCWRL conformation added # naming current conformation ABIpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS2.pdb.gz looking for model 1 # Found a chain break before 247 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1713478853.pdb -s /var/tmp/to_scwrl_1713478853.seq -o /var/tmp/from_scwrl_1713478853.pdb > /var/tmp/scwrl_1713478853.log sh: /var/tmp/scwrl_1713478853.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1713478853.pdb or /var/tmp/from_scwrl_1713478853.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1713478853_b.pdb or decoys//var/tmp/from_scwrl_1713478853_b.pdb.gz for input Trying /var/tmp/from_scwrl_1713478853_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1713478853_b.pdb or /var/tmp/from_scwrl_1713478853_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1713478853_a.pdb or decoys//var/tmp/from_scwrl_1713478853_a.pdb.gz for input Trying /var/tmp/from_scwrl_1713478853_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1713478853_a.pdb or /var/tmp/from_scwrl_1713478853_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1713478853.pdb or /var/tmp/from_scwrl_1713478853_b.pdb or /var/tmp/from_scwrl_1713478853_a.pdb Error: no new SCWRL conformation added # naming current conformation ABIpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS3.pdb.gz looking for model 1 # Found a chain break before 245 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_357315914.pdb -s /var/tmp/to_scwrl_357315914.seq -o /var/tmp/from_scwrl_357315914.pdb > /var/tmp/scwrl_357315914.log sh: /var/tmp/scwrl_357315914.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_357315914.pdb or /var/tmp/from_scwrl_357315914.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_357315914_b.pdb or decoys//var/tmp/from_scwrl_357315914_b.pdb.gz for input Trying /var/tmp/from_scwrl_357315914_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_357315914_b.pdb or /var/tmp/from_scwrl_357315914_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_357315914_a.pdb or decoys//var/tmp/from_scwrl_357315914_a.pdb.gz for input Trying /var/tmp/from_scwrl_357315914_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_357315914_a.pdb or /var/tmp/from_scwrl_357315914_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_357315914.pdb or /var/tmp/from_scwrl_357315914_b.pdb or /var/tmp/from_scwrl_357315914_a.pdb Error: no new SCWRL conformation added # naming current conformation ABIpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS4.pdb.gz looking for model 1 # Found a chain break before 247 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_338450813.pdb -s /var/tmp/to_scwrl_338450813.seq -o /var/tmp/from_scwrl_338450813.pdb > /var/tmp/scwrl_338450813.log sh: /var/tmp/scwrl_338450813.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_338450813.pdb or /var/tmp/from_scwrl_338450813.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_338450813_b.pdb or decoys//var/tmp/from_scwrl_338450813_b.pdb.gz for input Trying /var/tmp/from_scwrl_338450813_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_338450813_b.pdb or /var/tmp/from_scwrl_338450813_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_338450813_a.pdb or decoys//var/tmp/from_scwrl_338450813_a.pdb.gz for input Trying /var/tmp/from_scwrl_338450813_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_338450813_a.pdb or /var/tmp/from_scwrl_338450813_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_338450813.pdb or /var/tmp/from_scwrl_338450813_b.pdb or /var/tmp/from_scwrl_338450813_a.pdb Error: no new SCWRL conformation added # naming current conformation ABIpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS5.pdb.gz looking for model 1 # Found a chain break before 222 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1451716002.pdb -s /var/tmp/to_scwrl_1451716002.seq -o /var/tmp/from_scwrl_1451716002.pdb > /var/tmp/scwrl_1451716002.log sh: /var/tmp/scwrl_1451716002.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1451716002.pdb or /var/tmp/from_scwrl_1451716002.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1451716002_b.pdb or decoys//var/tmp/from_scwrl_1451716002_b.pdb.gz for input Trying /var/tmp/from_scwrl_1451716002_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1451716002_b.pdb or /var/tmp/from_scwrl_1451716002_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1451716002_a.pdb or decoys//var/tmp/from_scwrl_1451716002_a.pdb.gz for input Trying /var/tmp/from_scwrl_1451716002_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1451716002_a.pdb or /var/tmp/from_scwrl_1451716002_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1451716002.pdb or /var/tmp/from_scwrl_1451716002_b.pdb or /var/tmp/from_scwrl_1451716002_a.pdb Error: no new SCWRL conformation added # naming current conformation ABIpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/BayesHH_TS1.pdb.gz looking for model 1 # Found a chain break before 209 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_823123886.pdb -s /var/tmp/to_scwrl_823123886.seq -o /var/tmp/from_scwrl_823123886.pdb > /var/tmp/scwrl_823123886.log sh: /var/tmp/scwrl_823123886.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_823123886.pdb or /var/tmp/from_scwrl_823123886.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_823123886_b.pdb or decoys//var/tmp/from_scwrl_823123886_b.pdb.gz for input Trying /var/tmp/from_scwrl_823123886_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_823123886_b.pdb or /var/tmp/from_scwrl_823123886_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_823123886_a.pdb or decoys//var/tmp/from_scwrl_823123886_a.pdb.gz for input Trying /var/tmp/from_scwrl_823123886_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_823123886_a.pdb or /var/tmp/from_scwrl_823123886_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_823123886.pdb or /var/tmp/from_scwrl_823123886_b.pdb or /var/tmp/from_scwrl_823123886_a.pdb Error: no new SCWRL conformation added # naming current conformation BayesHH_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS1.pdb.gz looking for model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1495471269.pdb -s /var/tmp/to_scwrl_1495471269.seq -o /var/tmp/from_scwrl_1495471269.pdb > /var/tmp/scwrl_1495471269.log sh: /var/tmp/scwrl_1495471269.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1495471269.pdb or /var/tmp/from_scwrl_1495471269.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1495471269_b.pdb or decoys//var/tmp/from_scwrl_1495471269_b.pdb.gz for input Trying /var/tmp/from_scwrl_1495471269_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1495471269_b.pdb or /var/tmp/from_scwrl_1495471269_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1495471269_a.pdb or decoys//var/tmp/from_scwrl_1495471269_a.pdb.gz for input Trying /var/tmp/from_scwrl_1495471269_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1495471269_a.pdb or /var/tmp/from_scwrl_1495471269_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1495471269.pdb or /var/tmp/from_scwrl_1495471269_b.pdb or /var/tmp/from_scwrl_1495471269_a.pdb Error: no new SCWRL conformation added # naming current conformation Bilab-ENABLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS2.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_443581997.pdb -s /var/tmp/to_scwrl_443581997.seq -o /var/tmp/from_scwrl_443581997.pdb > /var/tmp/scwrl_443581997.log sh: /var/tmp/scwrl_443581997.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_443581997.pdb or /var/tmp/from_scwrl_443581997.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_443581997_b.pdb or decoys//var/tmp/from_scwrl_443581997_b.pdb.gz for input Trying /var/tmp/from_scwrl_443581997_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_443581997_b.pdb or /var/tmp/from_scwrl_443581997_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_443581997_a.pdb or decoys//var/tmp/from_scwrl_443581997_a.pdb.gz for input Trying /var/tmp/from_scwrl_443581997_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_443581997_a.pdb or /var/tmp/from_scwrl_443581997_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_443581997.pdb or /var/tmp/from_scwrl_443581997_b.pdb or /var/tmp/from_scwrl_443581997_a.pdb Error: no new SCWRL conformation added # naming current conformation Bilab-ENABLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS3.pdb.gz looking for model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1544689966.pdb -s /var/tmp/to_scwrl_1544689966.seq -o /var/tmp/from_scwrl_1544689966.pdb > /var/tmp/scwrl_1544689966.log sh: /var/tmp/scwrl_1544689966.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1544689966.pdb or /var/tmp/from_scwrl_1544689966.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1544689966_b.pdb or decoys//var/tmp/from_scwrl_1544689966_b.pdb.gz for input Trying /var/tmp/from_scwrl_1544689966_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1544689966_b.pdb or /var/tmp/from_scwrl_1544689966_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1544689966_a.pdb or decoys//var/tmp/from_scwrl_1544689966_a.pdb.gz for input Trying /var/tmp/from_scwrl_1544689966_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1544689966_a.pdb or /var/tmp/from_scwrl_1544689966_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1544689966.pdb or /var/tmp/from_scwrl_1544689966_b.pdb or /var/tmp/from_scwrl_1544689966_a.pdb Error: no new SCWRL conformation added # naming current conformation Bilab-ENABLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS4.pdb.gz looking for model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_225649289.pdb -s /var/tmp/to_scwrl_225649289.seq -o /var/tmp/from_scwrl_225649289.pdb > /var/tmp/scwrl_225649289.log sh: /var/tmp/scwrl_225649289.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_225649289.pdb or /var/tmp/from_scwrl_225649289.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_225649289_b.pdb or decoys//var/tmp/from_scwrl_225649289_b.pdb.gz for input Trying /var/tmp/from_scwrl_225649289_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_225649289_b.pdb or /var/tmp/from_scwrl_225649289_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_225649289_a.pdb or decoys//var/tmp/from_scwrl_225649289_a.pdb.gz for input Trying /var/tmp/from_scwrl_225649289_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_225649289_a.pdb or /var/tmp/from_scwrl_225649289_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_225649289.pdb or /var/tmp/from_scwrl_225649289_b.pdb or /var/tmp/from_scwrl_225649289_a.pdb Error: no new SCWRL conformation added # naming current conformation Bilab-ENABLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS5.pdb.gz looking for model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1000971401.pdb -s /var/tmp/to_scwrl_1000971401.seq -o /var/tmp/from_scwrl_1000971401.pdb > /var/tmp/scwrl_1000971401.log sh: /var/tmp/scwrl_1000971401.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1000971401.pdb or /var/tmp/from_scwrl_1000971401.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1000971401_b.pdb or decoys//var/tmp/from_scwrl_1000971401_b.pdb.gz for input Trying /var/tmp/from_scwrl_1000971401_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1000971401_b.pdb or /var/tmp/from_scwrl_1000971401_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1000971401_a.pdb or decoys//var/tmp/from_scwrl_1000971401_a.pdb.gz for input Trying /var/tmp/from_scwrl_1000971401_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1000971401_a.pdb or /var/tmp/from_scwrl_1000971401_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1000971401.pdb or /var/tmp/from_scwrl_1000971401_b.pdb or /var/tmp/from_scwrl_1000971401_a.pdb Error: no new SCWRL conformation added # naming current conformation Bilab-ENABLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 244 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_2146211886.pdb -s /var/tmp/to_scwrl_2146211886.seq -o /var/tmp/from_scwrl_2146211886.pdb > /var/tmp/scwrl_2146211886.log sh: /var/tmp/scwrl_2146211886.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2146211886.pdb or /var/tmp/from_scwrl_2146211886.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2146211886_b.pdb or decoys//var/tmp/from_scwrl_2146211886_b.pdb.gz for input Trying /var/tmp/from_scwrl_2146211886_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2146211886_b.pdb or /var/tmp/from_scwrl_2146211886_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2146211886_a.pdb or decoys//var/tmp/from_scwrl_2146211886_a.pdb.gz for input Trying /var/tmp/from_scwrl_2146211886_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2146211886_a.pdb or /var/tmp/from_scwrl_2146211886_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2146211886.pdb or /var/tmp/from_scwrl_2146211886_b.pdb or /var/tmp/from_scwrl_2146211886_a.pdb Error: no new SCWRL conformation added # naming current conformation CIRCLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # Found a chain break before 240 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_363179579.pdb -s /var/tmp/to_scwrl_363179579.seq -o /var/tmp/from_scwrl_363179579.pdb > /var/tmp/scwrl_363179579.log sh: /var/tmp/scwrl_363179579.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_363179579.pdb or /var/tmp/from_scwrl_363179579.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_363179579_b.pdb or decoys//var/tmp/from_scwrl_363179579_b.pdb.gz for input Trying /var/tmp/from_scwrl_363179579_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_363179579_b.pdb or /var/tmp/from_scwrl_363179579_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_363179579_a.pdb or decoys//var/tmp/from_scwrl_363179579_a.pdb.gz for input Trying /var/tmp/from_scwrl_363179579_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_363179579_a.pdb or /var/tmp/from_scwrl_363179579_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_363179579.pdb or /var/tmp/from_scwrl_363179579_b.pdb or /var/tmp/from_scwrl_363179579_a.pdb Error: no new SCWRL conformation added # naming current conformation CIRCLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1130241201.pdb -s /var/tmp/to_scwrl_1130241201.seq -o /var/tmp/from_scwrl_1130241201.pdb > /var/tmp/scwrl_1130241201.log sh: /var/tmp/scwrl_1130241201.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1130241201.pdb or /var/tmp/from_scwrl_1130241201.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1130241201_b.pdb or decoys//var/tmp/from_scwrl_1130241201_b.pdb.gz for input Trying /var/tmp/from_scwrl_1130241201_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1130241201_b.pdb or /var/tmp/from_scwrl_1130241201_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1130241201_a.pdb or decoys//var/tmp/from_scwrl_1130241201_a.pdb.gz for input Trying /var/tmp/from_scwrl_1130241201_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1130241201_a.pdb or /var/tmp/from_scwrl_1130241201_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1130241201.pdb or /var/tmp/from_scwrl_1130241201_b.pdb or /var/tmp/from_scwrl_1130241201_a.pdb Error: no new SCWRL conformation added # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1627045235.pdb -s /var/tmp/to_scwrl_1627045235.seq -o /var/tmp/from_scwrl_1627045235.pdb > /var/tmp/scwrl_1627045235.log sh: /var/tmp/scwrl_1627045235.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1627045235.pdb or /var/tmp/from_scwrl_1627045235.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1627045235_b.pdb or decoys//var/tmp/from_scwrl_1627045235_b.pdb.gz for input Trying /var/tmp/from_scwrl_1627045235_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1627045235_b.pdb or /var/tmp/from_scwrl_1627045235_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1627045235_a.pdb or decoys//var/tmp/from_scwrl_1627045235_a.pdb.gz for input Trying /var/tmp/from_scwrl_1627045235_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1627045235_a.pdb or /var/tmp/from_scwrl_1627045235_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1627045235.pdb or /var/tmp/from_scwrl_1627045235_b.pdb or /var/tmp/from_scwrl_1627045235_a.pdb Error: no new SCWRL conformation added # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1819260398.pdb -s /var/tmp/to_scwrl_1819260398.seq -o /var/tmp/from_scwrl_1819260398.pdb > /var/tmp/scwrl_1819260398.log sh: /var/tmp/scwrl_1819260398.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1819260398.pdb or /var/tmp/from_scwrl_1819260398.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1819260398_b.pdb or decoys//var/tmp/from_scwrl_1819260398_b.pdb.gz for input Trying /var/tmp/from_scwrl_1819260398_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1819260398_b.pdb or /var/tmp/from_scwrl_1819260398_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1819260398_a.pdb or decoys//var/tmp/from_scwrl_1819260398_a.pdb.gz for input Trying /var/tmp/from_scwrl_1819260398_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1819260398_a.pdb or /var/tmp/from_scwrl_1819260398_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1819260398.pdb or /var/tmp/from_scwrl_1819260398_b.pdb or /var/tmp/from_scwrl_1819260398_a.pdb Error: no new SCWRL conformation added # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1170043758.pdb -s /var/tmp/to_scwrl_1170043758.seq -o /var/tmp/from_scwrl_1170043758.pdb > /var/tmp/scwrl_1170043758.log sh: /var/tmp/scwrl_1170043758.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1170043758.pdb or /var/tmp/from_scwrl_1170043758.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1170043758_b.pdb or decoys//var/tmp/from_scwrl_1170043758_b.pdb.gz for input Trying /var/tmp/from_scwrl_1170043758_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1170043758_b.pdb or /var/tmp/from_scwrl_1170043758_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1170043758_a.pdb or decoys//var/tmp/from_scwrl_1170043758_a.pdb.gz for input Trying /var/tmp/from_scwrl_1170043758_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1170043758_a.pdb or /var/tmp/from_scwrl_1170043758_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1170043758.pdb or /var/tmp/from_scwrl_1170043758_b.pdb or /var/tmp/from_scwrl_1170043758_a.pdb Error: no new SCWRL conformation added # naming current conformation CaspIta-FOX_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1498743867.pdb -s /var/tmp/to_scwrl_1498743867.seq -o /var/tmp/from_scwrl_1498743867.pdb > /var/tmp/scwrl_1498743867.log sh: /var/tmp/scwrl_1498743867.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1498743867.pdb or /var/tmp/from_scwrl_1498743867.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1498743867_b.pdb or decoys//var/tmp/from_scwrl_1498743867_b.pdb.gz for input Trying /var/tmp/from_scwrl_1498743867_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1498743867_b.pdb or /var/tmp/from_scwrl_1498743867_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1498743867_a.pdb or decoys//var/tmp/from_scwrl_1498743867_a.pdb.gz for input Trying /var/tmp/from_scwrl_1498743867_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1498743867_a.pdb or /var/tmp/from_scwrl_1498743867_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1498743867.pdb or /var/tmp/from_scwrl_1498743867_b.pdb or /var/tmp/from_scwrl_1498743867_a.pdb Error: no new SCWRL conformation added # naming current conformation CaspIta-FOX_TS2-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS3.pdb.gz looking for model 1 WARNING: atoms too close: (T0321)L138.C and (T0321)E139.N only 0.000 apart, marking (T0321)E139.N as missing WARNING: atoms too close: (T0321)E139.N and (T0321)E139.CA only 0.000 apart, marking (T0321)E139.CA as missing WARNING: atoms too close: (T0321)L138.C and (T0321)E139.CA only 0.000 apart, marking (T0321)E139.CA as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)E139.CB only 0.000 apart, marking (T0321)E139.CB as missing WARNING: atoms too close: (T0321)E139.N and (T0321)E139.CB only 0.000 apart, marking (T0321)E139.CB as missing WARNING: atoms too close: (T0321)L138.C and (T0321)E139.CB only 0.000 apart, marking (T0321)E139.CB as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)E139.CG only 0.000 apart, marking (T0321)E139.CG as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)E139.CG only 0.000 apart, marking (T0321)E139.CG as missing WARNING: atoms too close: (T0321)E139.N and (T0321)E139.CG only 0.000 apart, marking (T0321)E139.CG as missing WARNING: atoms too close: (T0321)L138.C and (T0321)E139.CG only 0.000 apart, marking (T0321)E139.CG as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)E139.CD only 0.000 apart, marking (T0321)E139.CD as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)E139.CD only 0.000 apart, marking (T0321)E139.CD as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)E139.CD only 0.000 apart, marking (T0321)E139.CD as missing WARNING: atoms too close: (T0321)E139.N and (T0321)E139.CD only 0.000 apart, marking (T0321)E139.CD as missing WARNING: atoms too close: (T0321)L138.C and (T0321)E139.CD only 0.000 apart, marking (T0321)E139.CD as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)E139.OE1 only 0.000 apart, marking (T0321)E139.OE1 as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)E139.OE1 only 0.000 apart, marking (T0321)E139.OE1 as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)E139.OE1 only 0.000 apart, marking (T0321)E139.OE1 as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)E139.OE1 only 0.000 apart, marking (T0321)E139.OE1 as missing WARNING: atoms too close: (T0321)E139.N and (T0321)E139.OE1 only 0.000 apart, marking (T0321)E139.OE1 as missing WARNING: atoms too close: (T0321)L138.C and (T0321)E139.OE1 only 0.000 apart, marking (T0321)E139.OE1 as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)E139.OE2 only 0.000 apart, marking (T0321)E139.OE2 as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)E139.OE2 only 0.000 apart, marking (T0321)E139.OE2 as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)E139.OE2 only 0.000 apart, marking (T0321)E139.OE2 as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)E139.OE2 only 0.000 apart, marking (T0321)E139.OE2 as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)E139.OE2 only 0.000 apart, marking (T0321)E139.OE2 as missing WARNING: atoms too close: (T0321)E139.N and (T0321)E139.OE2 only 0.000 apart, marking (T0321)E139.OE2 as missing WARNING: atoms too close: (T0321)L138.C and (T0321)E139.OE2 only 0.000 apart, marking (T0321)E139.OE2 as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)E139.O only 0.000 apart, marking (T0321)E139.O as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)E139.O only 0.000 apart, marking (T0321)E139.O as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)E139.O only 0.000 apart, marking (T0321)E139.O as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)E139.O only 0.000 apart, marking (T0321)E139.O as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)E139.O only 0.000 apart, marking (T0321)E139.O as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)E139.O only 0.000 apart, marking (T0321)E139.O as missing WARNING: atoms too close: (T0321)E139.N and (T0321)E139.O only 0.000 apart, marking (T0321)E139.O as missing WARNING: atoms too close: (T0321)L138.C and (T0321)E139.O only 0.000 apart, marking (T0321)E139.O as missing WARNING: atoms too close: (T0321)E139.O and (T0321)E139.C only 0.000 apart, marking (T0321)E139.C as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)E139.C only 0.000 apart, marking (T0321)E139.C as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)E139.C only 0.000 apart, marking (T0321)E139.C as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)E139.C only 0.000 apart, marking (T0321)E139.C as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)E139.C only 0.000 apart, marking (T0321)E139.C as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)E139.C only 0.000 apart, marking (T0321)E139.C as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)E139.C only 0.000 apart, marking (T0321)E139.C as missing WARNING: atoms too close: (T0321)E139.N and (T0321)E139.C only 0.000 apart, marking (T0321)E139.C as missing WARNING: atoms too close: (T0321)L138.C and (T0321)E139.C only 0.000 apart, marking (T0321)E139.C as missing WARNING: atoms too close: (T0321)E139.C and (T0321)P140.N only 0.000 apart, marking (T0321)E139.C as missing WARNING: atoms too close: (T0321)E139.O and (T0321)P140.N only 0.000 apart, marking (T0321)E139.O as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)P140.N only 0.000 apart, marking (T0321)E139.OE2 as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)P140.N only 0.000 apart, marking (T0321)E139.OE1 as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)P140.N only 0.000 apart, marking (T0321)E139.CD as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)P140.N only 0.000 apart, marking (T0321)E139.CG as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)P140.N only 0.000 apart, marking (T0321)E139.CB as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)P140.N only 0.000 apart, marking (T0321)E139.CA as missing WARNING: atoms too close: (T0321)E139.N and (T0321)P140.N only 0.000 apart, marking (T0321)E139.N as missing WARNING: atoms too close: (T0321)L138.C and (T0321)P140.N only 0.000 apart, marking (T0321)P140.N as missing WARNING: atoms too close: (T0321)P140.N and (T0321)P140.CA only 0.000 apart, marking (T0321)P140.CA as missing WARNING: atoms too close: (T0321)E139.C and (T0321)P140.CA only 0.000 apart, marking (T0321)P140.CA as missing WARNING: atoms too close: (T0321)E139.O and (T0321)P140.CA only 0.000 apart, marking (T0321)P140.CA as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)P140.CA only 0.000 apart, marking (T0321)P140.CA as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)P140.CA only 0.000 apart, marking (T0321)P140.CA as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)P140.CA only 0.000 apart, marking (T0321)P140.CA as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)P140.CA only 0.000 apart, marking (T0321)P140.CA as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)P140.CA only 0.000 apart, marking (T0321)P140.CA as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)P140.CA only 0.000 apart, marking (T0321)P140.CA as missing WARNING: atoms too close: (T0321)E139.N and (T0321)P140.CA only 0.000 apart, marking (T0321)P140.CA as missing WARNING: atoms too close: (T0321)L138.C and (T0321)P140.CA only 0.000 apart, marking (T0321)P140.CA as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)P140.CB only 0.000 apart, marking (T0321)P140.CB as missing WARNING: atoms too close: (T0321)P140.N and (T0321)P140.CB only 0.000 apart, marking (T0321)P140.CB as missing WARNING: atoms too close: (T0321)E139.C and (T0321)P140.CB only 0.000 apart, marking (T0321)P140.CB as missing WARNING: atoms too close: (T0321)E139.O and (T0321)P140.CB only 0.000 apart, marking (T0321)P140.CB as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)P140.CB only 0.000 apart, marking (T0321)P140.CB as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)P140.CB only 0.000 apart, marking (T0321)P140.CB as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)P140.CB only 0.000 apart, marking (T0321)P140.CB as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)P140.CB only 0.000 apart, marking (T0321)P140.CB as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)P140.CB only 0.000 apart, marking (T0321)P140.CB as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)P140.CB only 0.000 apart, marking (T0321)P140.CB as missing WARNING: atoms too close: (T0321)E139.N and (T0321)P140.CB only 0.000 apart, marking (T0321)P140.CB as missing WARNING: atoms too close: (T0321)L138.C and (T0321)P140.CB only 0.000 apart, marking (T0321)P140.CB as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)P140.CG only 0.000 apart, marking (T0321)P140.CG as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)P140.CG only 0.000 apart, marking (T0321)P140.CG as missing WARNING: atoms too close: (T0321)P140.N and (T0321)P140.CG only 0.000 apart, marking (T0321)P140.CG as missing WARNING: atoms too close: (T0321)E139.C and (T0321)P140.CG only 0.000 apart, marking (T0321)P140.CG as missing WARNING: atoms too close: (T0321)E139.O and (T0321)P140.CG only 0.000 apart, marking (T0321)P140.CG as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)P140.CG only 0.000 apart, marking (T0321)P140.CG as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)P140.CG only 0.000 apart, marking (T0321)P140.CG as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)P140.CG only 0.000 apart, marking (T0321)P140.CG as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)P140.CG only 0.000 apart, marking (T0321)P140.CG as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)P140.CG only 0.000 apart, marking (T0321)P140.CG as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)P140.CG only 0.000 apart, marking (T0321)P140.CG as missing WARNING: atoms too close: (T0321)E139.N and (T0321)P140.CG only 0.000 apart, marking (T0321)P140.CG as missing WARNING: atoms too close: (T0321)L138.C and (T0321)P140.CG only 0.000 apart, marking (T0321)P140.CG as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)P140.CD only 0.000 apart, marking (T0321)P140.CD as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)P140.CD only 0.000 apart, marking (T0321)P140.CD as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)P140.CD only 0.000 apart, marking (T0321)P140.CD as missing WARNING: atoms too close: (T0321)P140.N and (T0321)P140.CD only 0.000 apart, marking (T0321)P140.CD as missing WARNING: atoms too close: (T0321)E139.C and (T0321)P140.CD only 0.000 apart, marking (T0321)P140.CD as missing WARNING: atoms too close: (T0321)E139.O and (T0321)P140.CD only 0.000 apart, marking (T0321)P140.CD as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)P140.CD only 0.000 apart, marking (T0321)P140.CD as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)P140.CD only 0.000 apart, marking (T0321)P140.CD as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)P140.CD only 0.000 apart, marking (T0321)P140.CD as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)P140.CD only 0.000 apart, marking (T0321)P140.CD as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)P140.CD only 0.000 apart, marking (T0321)P140.CD as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)P140.CD only 0.000 apart, marking (T0321)P140.CD as missing WARNING: atoms too close: (T0321)E139.N and (T0321)P140.CD only 0.000 apart, marking (T0321)P140.CD as missing WARNING: atoms too close: (T0321)L138.C and (T0321)P140.CD only 0.000 apart, marking (T0321)P140.CD as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)P140.O only 0.000 apart, marking (T0321)P140.O as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)P140.O only 0.000 apart, marking (T0321)P140.O as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)P140.O only 0.000 apart, marking (T0321)P140.O as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)P140.O only 0.000 apart, marking (T0321)P140.O as missing WARNING: atoms too close: (T0321)P140.N and (T0321)P140.O only 0.000 apart, marking (T0321)P140.O as missing WARNING: atoms too close: (T0321)E139.C and (T0321)P140.O only 0.000 apart, marking (T0321)P140.O as missing WARNING: atoms too close: (T0321)E139.O and (T0321)P140.O only 0.000 apart, marking (T0321)P140.O as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)P140.O only 0.000 apart, marking (T0321)P140.O as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)P140.O only 0.000 apart, marking (T0321)P140.O as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)P140.O only 0.000 apart, marking (T0321)P140.O as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)P140.O only 0.000 apart, marking (T0321)P140.O as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)P140.O only 0.000 apart, marking (T0321)P140.O as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)P140.O only 0.000 apart, marking (T0321)P140.O as missing WARNING: atoms too close: (T0321)E139.N and (T0321)P140.O only 0.000 apart, marking (T0321)P140.O as missing WARNING: atoms too close: (T0321)L138.C and (T0321)P140.O only 0.000 apart, marking (T0321)P140.O as missing WARNING: atoms too close: (T0321)P140.O and (T0321)P140.C only 0.000 apart, marking (T0321)P140.C as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)P140.C only 0.000 apart, marking (T0321)P140.C as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)P140.C only 0.000 apart, marking (T0321)P140.C as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)P140.C only 0.000 apart, marking (T0321)P140.C as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)P140.C only 0.000 apart, marking (T0321)P140.C as missing WARNING: atoms too close: (T0321)P140.N and (T0321)P140.C only 0.000 apart, marking (T0321)P140.C as missing WARNING: atoms too close: (T0321)E139.C and (T0321)P140.C only 0.000 apart, marking (T0321)P140.C as missing WARNING: atoms too close: (T0321)E139.O and (T0321)P140.C only 0.000 apart, marking (T0321)P140.C as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)P140.C only 0.000 apart, marking (T0321)P140.C as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)P140.C only 0.000 apart, marking (T0321)P140.C as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)P140.C only 0.000 apart, marking (T0321)P140.C as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)P140.C only 0.000 apart, marking (T0321)P140.C as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)P140.C only 0.000 apart, marking (T0321)P140.C as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)P140.C only 0.000 apart, marking (T0321)P140.C as missing WARNING: atoms too close: (T0321)E139.N and (T0321)P140.C only 0.000 apart, marking (T0321)P140.C as missing WARNING: atoms too close: (T0321)L138.C and (T0321)P140.C only 0.000 apart, marking (T0321)P140.C as missing WARNING: atoms too close: (T0321)P140.C and (T0321)I141.N only 0.000 apart, marking (T0321)P140.C as missing WARNING: atoms too close: (T0321)P140.O and (T0321)I141.N only 0.000 apart, marking (T0321)P140.O as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)I141.N only 0.000 apart, marking (T0321)P140.CD as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)I141.N only 0.000 apart, marking (T0321)P140.CG as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)I141.N only 0.000 apart, marking (T0321)P140.CB as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)I141.N only 0.000 apart, marking (T0321)P140.CA as missing WARNING: atoms too close: (T0321)P140.N and (T0321)I141.N only 0.000 apart, marking (T0321)P140.N as missing WARNING: atoms too close: (T0321)E139.C and (T0321)I141.N only 0.000 apart, marking (T0321)E139.C as missing WARNING: atoms too close: (T0321)E139.O and (T0321)I141.N only 0.000 apart, marking (T0321)E139.O as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)I141.N only 0.000 apart, marking (T0321)E139.OE2 as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)I141.N only 0.000 apart, marking (T0321)E139.OE1 as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)I141.N only 0.000 apart, marking (T0321)E139.CD as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)I141.N only 0.000 apart, marking (T0321)E139.CG as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)I141.N only 0.000 apart, marking (T0321)E139.CB as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)I141.N only 0.000 apart, marking (T0321)E139.CA as missing WARNING: atoms too close: (T0321)E139.N and (T0321)I141.N only 0.000 apart, marking (T0321)E139.N as missing WARNING: atoms too close: (T0321)L138.C and (T0321)I141.N only 0.000 apart, marking (T0321)I141.N as missing WARNING: atoms too close: (T0321)I141.N and (T0321)I141.CA only 0.000 apart, marking (T0321)I141.CA as missing WARNING: atoms too close: (T0321)P140.C and (T0321)I141.CA only 0.000 apart, marking (T0321)I141.CA as missing WARNING: atoms too close: (T0321)P140.O and (T0321)I141.CA only 0.000 apart, marking (T0321)I141.CA as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)I141.CA only 0.000 apart, marking (T0321)I141.CA as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)I141.CA only 0.000 apart, marking (T0321)I141.CA as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)I141.CA only 0.000 apart, marking (T0321)I141.CA as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)I141.CA only 0.000 apart, marking (T0321)I141.CA as missing WARNING: atoms too close: (T0321)P140.N and (T0321)I141.CA only 0.000 apart, marking (T0321)I141.CA as missing WARNING: atoms too close: (T0321)E139.C and (T0321)I141.CA only 0.000 apart, marking (T0321)I141.CA as missing WARNING: atoms too close: (T0321)E139.O and (T0321)I141.CA only 0.000 apart, marking (T0321)I141.CA as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)I141.CA only 0.000 apart, marking (T0321)I141.CA as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)I141.CA only 0.000 apart, marking (T0321)I141.CA as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)I141.CA only 0.000 apart, marking (T0321)I141.CA as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)I141.CA only 0.000 apart, marking (T0321)I141.CA as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)I141.CA only 0.000 apart, marking (T0321)I141.CA as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)I141.CA only 0.000 apart, marking (T0321)I141.CA as missing WARNING: atoms too close: (T0321)E139.N and (T0321)I141.CA only 0.000 apart, marking (T0321)I141.CA as missing WARNING: atoms too close: (T0321)L138.C and (T0321)I141.CA only 0.000 apart, marking (T0321)I141.CA as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)I141.CB only 0.000 apart, marking (T0321)I141.CB as missing WARNING: atoms too close: (T0321)I141.N and (T0321)I141.CB only 0.000 apart, marking (T0321)I141.CB as missing WARNING: atoms too close: (T0321)P140.C and (T0321)I141.CB only 0.000 apart, marking (T0321)I141.CB as missing WARNING: atoms too close: (T0321)P140.O and (T0321)I141.CB only 0.000 apart, marking (T0321)I141.CB as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)I141.CB only 0.000 apart, marking (T0321)I141.CB as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)I141.CB only 0.000 apart, marking (T0321)I141.CB as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)I141.CB only 0.000 apart, marking (T0321)I141.CB as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)I141.CB only 0.000 apart, marking (T0321)I141.CB as missing WARNING: atoms too close: (T0321)P140.N and (T0321)I141.CB only 0.000 apart, marking (T0321)I141.CB as missing WARNING: atoms too close: (T0321)E139.C and (T0321)I141.CB only 0.000 apart, marking (T0321)I141.CB as missing WARNING: atoms too close: (T0321)E139.O and (T0321)I141.CB only 0.000 apart, marking (T0321)I141.CB as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)I141.CB only 0.000 apart, marking (T0321)I141.CB as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)I141.CB only 0.000 apart, marking (T0321)I141.CB as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)I141.CB only 0.000 apart, marking (T0321)I141.CB as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)I141.CB only 0.000 apart, marking (T0321)I141.CB as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)I141.CB only 0.000 apart, marking (T0321)I141.CB as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)I141.CB only 0.000 apart, marking (T0321)I141.CB as missing WARNING: atoms too close: (T0321)E139.N and (T0321)I141.CB only 0.000 apart, marking (T0321)I141.CB as missing WARNING: atoms too close: (T0321)L138.C and (T0321)I141.CB only 0.000 apart, marking (T0321)I141.CB as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)I141.CG1 only 0.000 apart, marking (T0321)I141.CG1 as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)I141.CG1 only 0.000 apart, marking (T0321)I141.CG1 as missing WARNING: atoms too close: (T0321)I141.N and (T0321)I141.CG1 only 0.000 apart, marking (T0321)I141.CG1 as missing WARNING: atoms too close: (T0321)P140.C and (T0321)I141.CG1 only 0.000 apart, marking (T0321)I141.CG1 as missing WARNING: atoms too close: (T0321)P140.O and (T0321)I141.CG1 only 0.000 apart, marking (T0321)I141.CG1 as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)I141.CG1 only 0.000 apart, marking (T0321)I141.CG1 as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)I141.CG1 only 0.000 apart, marking (T0321)I141.CG1 as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)I141.CG1 only 0.000 apart, marking (T0321)I141.CG1 as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)I141.CG1 only 0.000 apart, marking (T0321)I141.CG1 as missing WARNING: atoms too close: (T0321)P140.N and (T0321)I141.CG1 only 0.000 apart, marking (T0321)I141.CG1 as missing WARNING: atoms too close: (T0321)E139.C and (T0321)I141.CG1 only 0.000 apart, marking (T0321)I141.CG1 as missing WARNING: atoms too close: (T0321)E139.O and (T0321)I141.CG1 only 0.000 apart, marking (T0321)I141.CG1 as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)I141.CG1 only 0.000 apart, marking (T0321)I141.CG1 as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)I141.CG1 only 0.000 apart, marking (T0321)I141.CG1 as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)I141.CG1 only 0.000 apart, marking (T0321)I141.CG1 as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)I141.CG1 only 0.000 apart, marking (T0321)I141.CG1 as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)I141.CG1 only 0.000 apart, marking (T0321)I141.CG1 as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)I141.CG1 only 0.000 apart, marking (T0321)I141.CG1 as missing WARNING: atoms too close: (T0321)E139.N and (T0321)I141.CG1 only 0.000 apart, marking (T0321)I141.CG1 as missing WARNING: atoms too close: (T0321)L138.C and (T0321)I141.CG1 only 0.000 apart, marking (T0321)I141.CG1 as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)I141.CG2 only 0.000 apart, marking (T0321)I141.CG2 as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)I141.CG2 only 0.000 apart, marking (T0321)I141.CG2 as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)I141.CG2 only 0.000 apart, marking (T0321)I141.CG2 as missing WARNING: atoms too close: (T0321)I141.N and (T0321)I141.CG2 only 0.000 apart, marking (T0321)I141.CG2 as missing WARNING: atoms too close: (T0321)P140.C and (T0321)I141.CG2 only 0.000 apart, marking (T0321)I141.CG2 as missing WARNING: atoms too close: (T0321)P140.O and (T0321)I141.CG2 only 0.000 apart, marking (T0321)I141.CG2 as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)I141.CG2 only 0.000 apart, marking (T0321)I141.CG2 as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)I141.CG2 only 0.000 apart, marking (T0321)I141.CG2 as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)I141.CG2 only 0.000 apart, marking (T0321)I141.CG2 as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)I141.CG2 only 0.000 apart, marking (T0321)I141.CG2 as missing WARNING: atoms too close: (T0321)P140.N and (T0321)I141.CG2 only 0.000 apart, marking (T0321)I141.CG2 as missing WARNING: atoms too close: (T0321)E139.C and (T0321)I141.CG2 only 0.000 apart, marking (T0321)I141.CG2 as missing WARNING: atoms too close: (T0321)E139.O and (T0321)I141.CG2 only 0.000 apart, marking (T0321)I141.CG2 as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)I141.CG2 only 0.000 apart, marking (T0321)I141.CG2 as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)I141.CG2 only 0.000 apart, marking (T0321)I141.CG2 as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)I141.CG2 only 0.000 apart, marking (T0321)I141.CG2 as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)I141.CG2 only 0.000 apart, marking (T0321)I141.CG2 as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)I141.CG2 only 0.000 apart, marking (T0321)I141.CG2 as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)I141.CG2 only 0.000 apart, marking (T0321)I141.CG2 as missing WARNING: atoms too close: (T0321)E139.N and (T0321)I141.CG2 only 0.000 apart, marking (T0321)I141.CG2 as missing WARNING: atoms too close: (T0321)L138.C and (T0321)I141.CG2 only 0.000 apart, marking (T0321)I141.CG2 as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)I141.CD1 only 0.000 apart, marking (T0321)I141.CD1 as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)I141.CD1 only 0.000 apart, marking (T0321)I141.CD1 as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)I141.CD1 only 0.000 apart, marking (T0321)I141.CD1 as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)I141.CD1 only 0.000 apart, marking (T0321)I141.CD1 as missing WARNING: atoms too close: (T0321)I141.N and (T0321)I141.CD1 only 0.000 apart, marking (T0321)I141.CD1 as missing WARNING: atoms too close: (T0321)P140.C and (T0321)I141.CD1 only 0.000 apart, marking (T0321)I141.CD1 as missing WARNING: atoms too close: (T0321)P140.O and (T0321)I141.CD1 only 0.000 apart, marking (T0321)I141.CD1 as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)I141.CD1 only 0.000 apart, marking (T0321)I141.CD1 as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)I141.CD1 only 0.000 apart, marking (T0321)I141.CD1 as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)I141.CD1 only 0.000 apart, marking (T0321)I141.CD1 as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)I141.CD1 only 0.000 apart, marking (T0321)I141.CD1 as missing WARNING: atoms too close: (T0321)P140.N and (T0321)I141.CD1 only 0.000 apart, marking (T0321)I141.CD1 as missing WARNING: atoms too close: (T0321)E139.C and (T0321)I141.CD1 only 0.000 apart, marking (T0321)I141.CD1 as missing WARNING: atoms too close: (T0321)E139.O and (T0321)I141.CD1 only 0.000 apart, marking (T0321)I141.CD1 as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)I141.CD1 only 0.000 apart, marking (T0321)I141.CD1 as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)I141.CD1 only 0.000 apart, marking (T0321)I141.CD1 as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)I141.CD1 only 0.000 apart, marking (T0321)I141.CD1 as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)I141.CD1 only 0.000 apart, marking (T0321)I141.CD1 as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)I141.CD1 only 0.000 apart, marking (T0321)I141.CD1 as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)I141.CD1 only 0.000 apart, marking (T0321)I141.CD1 as missing WARNING: atoms too close: (T0321)E139.N and (T0321)I141.CD1 only 0.000 apart, marking (T0321)I141.CD1 as missing WARNING: atoms too close: (T0321)L138.C and (T0321)I141.CD1 only 0.000 apart, marking (T0321)I141.CD1 as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)I141.O only 0.000 apart, marking (T0321)I141.O as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)I141.O only 0.000 apart, marking (T0321)I141.O as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)I141.O only 0.000 apart, marking (T0321)I141.O as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)I141.O only 0.000 apart, marking (T0321)I141.O as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)I141.O only 0.000 apart, marking (T0321)I141.O as missing WARNING: atoms too close: (T0321)I141.N and (T0321)I141.O only 0.000 apart, marking (T0321)I141.O as missing WARNING: atoms too close: (T0321)P140.C and (T0321)I141.O only 0.000 apart, marking (T0321)I141.O as missing WARNING: atoms too close: (T0321)P140.O and (T0321)I141.O only 0.000 apart, marking (T0321)I141.O as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)I141.O only 0.000 apart, marking (T0321)I141.O as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)I141.O only 0.000 apart, marking (T0321)I141.O as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)I141.O only 0.000 apart, marking (T0321)I141.O as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)I141.O only 0.000 apart, marking (T0321)I141.O as missing WARNING: atoms too close: (T0321)P140.N and (T0321)I141.O only 0.000 apart, marking (T0321)I141.O as missing WARNING: atoms too close: (T0321)E139.C and (T0321)I141.O only 0.000 apart, marking (T0321)I141.O as missing WARNING: atoms too close: (T0321)E139.O and (T0321)I141.O only 0.000 apart, marking (T0321)I141.O as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)I141.O only 0.000 apart, marking (T0321)I141.O as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)I141.O only 0.000 apart, marking (T0321)I141.O as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)I141.O only 0.000 apart, marking (T0321)I141.O as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)I141.O only 0.000 apart, marking (T0321)I141.O as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)I141.O only 0.000 apart, marking (T0321)I141.O as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)I141.O only 0.000 apart, marking (T0321)I141.O as missing WARNING: atoms too close: (T0321)E139.N and (T0321)I141.O only 0.000 apart, marking (T0321)I141.O as missing WARNING: atoms too close: (T0321)L138.C and (T0321)I141.O only 0.000 apart, marking (T0321)I141.O as missing WARNING: atoms too close: (T0321)I141.O and (T0321)I141.C only 0.000 apart, marking (T0321)I141.C as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)I141.C only 0.000 apart, marking (T0321)I141.C as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)I141.C only 0.000 apart, marking (T0321)I141.C as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)I141.C only 0.000 apart, marking (T0321)I141.C as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)I141.C only 0.000 apart, marking (T0321)I141.C as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)I141.C only 0.000 apart, marking (T0321)I141.C as missing WARNING: atoms too close: (T0321)I141.N and (T0321)I141.C only 0.000 apart, marking (T0321)I141.C as missing WARNING: atoms too close: (T0321)P140.C and (T0321)I141.C only 0.000 apart, marking (T0321)I141.C as missing WARNING: atoms too close: (T0321)P140.O and (T0321)I141.C only 0.000 apart, marking (T0321)I141.C as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)I141.C only 0.000 apart, marking (T0321)I141.C as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)I141.C only 0.000 apart, marking (T0321)I141.C as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)I141.C only 0.000 apart, marking (T0321)I141.C as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)I141.C only 0.000 apart, marking (T0321)I141.C as missing WARNING: atoms too close: (T0321)P140.N and (T0321)I141.C only 0.000 apart, marking (T0321)I141.C as missing WARNING: atoms too close: (T0321)E139.C and (T0321)I141.C only 0.000 apart, marking (T0321)I141.C as missing WARNING: atoms too close: (T0321)E139.O and (T0321)I141.C only 0.000 apart, marking (T0321)I141.C as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)I141.C only 0.000 apart, marking (T0321)I141.C as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)I141.C only 0.000 apart, marking (T0321)I141.C as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)I141.C only 0.000 apart, marking (T0321)I141.C as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)I141.C only 0.000 apart, marking (T0321)I141.C as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)I141.C only 0.000 apart, marking (T0321)I141.C as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)I141.C only 0.000 apart, marking (T0321)I141.C as missing WARNING: atoms too close: (T0321)E139.N and (T0321)I141.C only 0.000 apart, marking (T0321)I141.C as missing WARNING: atoms too close: (T0321)L138.C and (T0321)I141.C only 0.000 apart, marking (T0321)I141.C as missing WARNING: atoms too close: (T0321)I141.C and (T0321)C142.N only 0.000 apart, marking (T0321)I141.C as missing WARNING: atoms too close: (T0321)I141.O and (T0321)C142.N only 0.000 apart, marking (T0321)I141.O as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)C142.N only 0.000 apart, marking (T0321)I141.CD1 as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)C142.N only 0.000 apart, marking (T0321)I141.CG2 as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)C142.N only 0.000 apart, marking (T0321)I141.CG1 as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)C142.N only 0.000 apart, marking (T0321)I141.CB as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)C142.N only 0.000 apart, marking (T0321)I141.CA as missing WARNING: atoms too close: (T0321)I141.N and (T0321)C142.N only 0.000 apart, marking (T0321)I141.N as missing WARNING: atoms too close: (T0321)P140.C and (T0321)C142.N only 0.000 apart, marking (T0321)P140.C as missing WARNING: atoms too close: (T0321)P140.O and (T0321)C142.N only 0.000 apart, marking (T0321)P140.O as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)C142.N only 0.000 apart, marking (T0321)P140.CD as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)C142.N only 0.000 apart, marking (T0321)P140.CG as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)C142.N only 0.000 apart, marking (T0321)P140.CB as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)C142.N only 0.000 apart, marking (T0321)P140.CA as missing WARNING: atoms too close: (T0321)P140.N and (T0321)C142.N only 0.000 apart, marking (T0321)P140.N as missing WARNING: atoms too close: (T0321)E139.C and (T0321)C142.N only 0.000 apart, marking (T0321)E139.C as missing WARNING: atoms too close: (T0321)E139.O and (T0321)C142.N only 0.000 apart, marking (T0321)E139.O as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)C142.N only 0.000 apart, marking (T0321)E139.OE2 as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)C142.N only 0.000 apart, marking (T0321)E139.OE1 as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)C142.N only 0.000 apart, marking (T0321)E139.CD as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)C142.N only 0.000 apart, marking (T0321)E139.CG as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)C142.N only 0.000 apart, marking (T0321)E139.CB as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)C142.N only 0.000 apart, marking (T0321)E139.CA as missing WARNING: atoms too close: (T0321)E139.N and (T0321)C142.N only 0.000 apart, marking (T0321)E139.N as missing WARNING: atoms too close: (T0321)L138.C and (T0321)C142.N only 0.000 apart, marking (T0321)C142.N as missing WARNING: atoms too close: (T0321)C142.N and (T0321)C142.CA only 0.000 apart, marking (T0321)C142.CA as missing WARNING: atoms too close: (T0321)I141.C and (T0321)C142.CA only 0.000 apart, marking (T0321)C142.CA as missing WARNING: atoms too close: (T0321)I141.O and (T0321)C142.CA only 0.000 apart, marking (T0321)C142.CA as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)C142.CA only 0.000 apart, marking (T0321)C142.CA as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)C142.CA only 0.000 apart, marking (T0321)C142.CA as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)C142.CA only 0.000 apart, marking (T0321)C142.CA as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)C142.CA only 0.000 apart, marking (T0321)C142.CA as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)C142.CA only 0.000 apart, marking (T0321)C142.CA as missing WARNING: atoms too close: (T0321)I141.N and (T0321)C142.CA only 0.000 apart, marking (T0321)C142.CA as missing WARNING: atoms too close: (T0321)P140.C and (T0321)C142.CA only 0.000 apart, marking (T0321)C142.CA as missing WARNING: atoms too close: (T0321)P140.O and (T0321)C142.CA only 0.000 apart, marking (T0321)C142.CA as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)C142.CA only 0.000 apart, marking (T0321)C142.CA as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)C142.CA only 0.000 apart, marking (T0321)C142.CA as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)C142.CA only 0.000 apart, marking (T0321)C142.CA as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)C142.CA only 0.000 apart, marking (T0321)C142.CA as missing WARNING: atoms too close: (T0321)P140.N and (T0321)C142.CA only 0.000 apart, marking (T0321)C142.CA as missing WARNING: atoms too close: (T0321)E139.C and (T0321)C142.CA only 0.000 apart, marking (T0321)C142.CA as missing WARNING: atoms too close: (T0321)E139.O and (T0321)C142.CA only 0.000 apart, marking (T0321)C142.CA as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)C142.CA only 0.000 apart, marking (T0321)C142.CA as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)C142.CA only 0.000 apart, marking (T0321)C142.CA as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)C142.CA only 0.000 apart, marking (T0321)C142.CA as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)C142.CA only 0.000 apart, marking (T0321)C142.CA as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)C142.CA only 0.000 apart, marking (T0321)C142.CA as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)C142.CA only 0.000 apart, marking (T0321)C142.CA as missing WARNING: atoms too close: (T0321)E139.N and (T0321)C142.CA only 0.000 apart, marking (T0321)C142.CA as missing WARNING: atoms too close: (T0321)L138.C and (T0321)C142.CA only 0.000 apart, marking (T0321)C142.CA as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)C142.CB only 0.000 apart, marking (T0321)C142.CB as missing WARNING: atoms too close: (T0321)C142.N and (T0321)C142.CB only 0.000 apart, marking (T0321)C142.CB as missing WARNING: atoms too close: (T0321)I141.C and (T0321)C142.CB only 0.000 apart, marking (T0321)C142.CB as missing WARNING: atoms too close: (T0321)I141.O and (T0321)C142.CB only 0.000 apart, marking (T0321)C142.CB as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)C142.CB only 0.000 apart, marking (T0321)C142.CB as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)C142.CB only 0.000 apart, marking (T0321)C142.CB as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)C142.CB only 0.000 apart, marking (T0321)C142.CB as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)C142.CB only 0.000 apart, marking (T0321)C142.CB as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)C142.CB only 0.000 apart, marking (T0321)C142.CB as missing WARNING: atoms too close: (T0321)I141.N and (T0321)C142.CB only 0.000 apart, marking (T0321)C142.CB as missing WARNING: atoms too close: (T0321)P140.C and (T0321)C142.CB only 0.000 apart, marking (T0321)C142.CB as missing WARNING: atoms too close: (T0321)P140.O and (T0321)C142.CB only 0.000 apart, marking (T0321)C142.CB as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)C142.CB only 0.000 apart, marking (T0321)C142.CB as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)C142.CB only 0.000 apart, marking (T0321)C142.CB as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)C142.CB only 0.000 apart, marking (T0321)C142.CB as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)C142.CB only 0.000 apart, marking (T0321)C142.CB as missing WARNING: atoms too close: (T0321)P140.N and (T0321)C142.CB only 0.000 apart, marking (T0321)C142.CB as missing WARNING: atoms too close: (T0321)E139.C and (T0321)C142.CB only 0.000 apart, marking (T0321)C142.CB as missing WARNING: atoms too close: (T0321)E139.O and (T0321)C142.CB only 0.000 apart, marking (T0321)C142.CB as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)C142.CB only 0.000 apart, marking (T0321)C142.CB as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)C142.CB only 0.000 apart, marking (T0321)C142.CB as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)C142.CB only 0.000 apart, marking (T0321)C142.CB as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)C142.CB only 0.000 apart, marking (T0321)C142.CB as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)C142.CB only 0.000 apart, marking (T0321)C142.CB as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)C142.CB only 0.000 apart, marking (T0321)C142.CB as missing WARNING: atoms too close: (T0321)E139.N and (T0321)C142.CB only 0.000 apart, marking (T0321)C142.CB as missing WARNING: atoms too close: (T0321)L138.C and (T0321)C142.CB only 0.000 apart, marking (T0321)C142.CB as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)C142.SG only 0.000 apart, marking (T0321)C142.SG as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)C142.SG only 0.000 apart, marking (T0321)C142.SG as missing WARNING: atoms too close: (T0321)C142.N and (T0321)C142.SG only 0.000 apart, marking (T0321)C142.SG as missing WARNING: atoms too close: (T0321)I141.C and (T0321)C142.SG only 0.000 apart, marking (T0321)C142.SG as missing WARNING: atoms too close: (T0321)I141.O and (T0321)C142.SG only 0.000 apart, marking (T0321)C142.SG as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)C142.SG only 0.000 apart, marking (T0321)C142.SG as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)C142.SG only 0.000 apart, marking (T0321)C142.SG as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)C142.SG only 0.000 apart, marking (T0321)C142.SG as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)C142.SG only 0.000 apart, marking (T0321)C142.SG as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)C142.SG only 0.000 apart, marking (T0321)C142.SG as missing WARNING: atoms too close: (T0321)I141.N and (T0321)C142.SG only 0.000 apart, marking (T0321)C142.SG as missing WARNING: atoms too close: (T0321)P140.C and (T0321)C142.SG only 0.000 apart, marking (T0321)C142.SG as missing WARNING: atoms too close: (T0321)P140.O and (T0321)C142.SG only 0.000 apart, marking (T0321)C142.SG as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)C142.SG only 0.000 apart, marking (T0321)C142.SG as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)C142.SG only 0.000 apart, marking (T0321)C142.SG as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)C142.SG only 0.000 apart, marking (T0321)C142.SG as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)C142.SG only 0.000 apart, marking (T0321)C142.SG as missing WARNING: atoms too close: (T0321)P140.N and (T0321)C142.SG only 0.000 apart, marking (T0321)C142.SG as missing WARNING: atoms too close: (T0321)E139.C and (T0321)C142.SG only 0.000 apart, marking (T0321)C142.SG as missing WARNING: atoms too close: (T0321)E139.O and (T0321)C142.SG only 0.000 apart, marking (T0321)C142.SG as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)C142.SG only 0.000 apart, marking (T0321)C142.SG as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)C142.SG only 0.000 apart, marking (T0321)C142.SG as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)C142.SG only 0.000 apart, marking (T0321)C142.SG as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)C142.SG only 0.000 apart, marking (T0321)C142.SG as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)C142.SG only 0.000 apart, marking (T0321)C142.SG as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)C142.SG only 0.000 apart, marking (T0321)C142.SG as missing WARNING: atoms too close: (T0321)E139.N and (T0321)C142.SG only 0.000 apart, marking (T0321)C142.SG as missing WARNING: atoms too close: (T0321)L138.C and (T0321)C142.SG only 0.000 apart, marking (T0321)C142.SG as missing WARNING: atoms too close: (T0321)C142.SG and (T0321)C142.O only 0.000 apart, marking (T0321)C142.O as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)C142.O only 0.000 apart, marking (T0321)C142.O as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)C142.O only 0.000 apart, marking (T0321)C142.O as missing WARNING: atoms too close: (T0321)C142.N and (T0321)C142.O only 0.000 apart, marking (T0321)C142.O as missing WARNING: atoms too close: (T0321)I141.C and (T0321)C142.O only 0.000 apart, marking (T0321)C142.O as missing WARNING: atoms too close: (T0321)I141.O and (T0321)C142.O only 0.000 apart, marking (T0321)C142.O as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)C142.O only 0.000 apart, marking (T0321)C142.O as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)C142.O only 0.000 apart, marking (T0321)C142.O as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)C142.O only 0.000 apart, marking (T0321)C142.O as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)C142.O only 0.000 apart, marking (T0321)C142.O as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)C142.O only 0.000 apart, marking (T0321)C142.O as missing WARNING: atoms too close: (T0321)I141.N and (T0321)C142.O only 0.000 apart, marking (T0321)C142.O as missing WARNING: atoms too close: (T0321)P140.C and (T0321)C142.O only 0.000 apart, marking (T0321)C142.O as missing WARNING: atoms too close: (T0321)P140.O and (T0321)C142.O only 0.000 apart, marking (T0321)C142.O as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)C142.O only 0.000 apart, marking (T0321)C142.O as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)C142.O only 0.000 apart, marking (T0321)C142.O as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)C142.O only 0.000 apart, marking (T0321)C142.O as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)C142.O only 0.000 apart, marking (T0321)C142.O as missing WARNING: atoms too close: (T0321)P140.N and (T0321)C142.O only 0.000 apart, marking (T0321)C142.O as missing WARNING: atoms too close: (T0321)E139.C and (T0321)C142.O only 0.000 apart, marking (T0321)C142.O as missing WARNING: atoms too close: (T0321)E139.O and (T0321)C142.O only 0.000 apart, marking (T0321)C142.O as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)C142.O only 0.000 apart, marking (T0321)C142.O as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)C142.O only 0.000 apart, marking (T0321)C142.O as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)C142.O only 0.000 apart, marking (T0321)C142.O as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)C142.O only 0.000 apart, marking (T0321)C142.O as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)C142.O only 0.000 apart, marking (T0321)C142.O as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)C142.O only 0.000 apart, marking (T0321)C142.O as missing WARNING: atoms too close: (T0321)E139.N and (T0321)C142.O only 0.000 apart, marking (T0321)C142.O as missing WARNING: atoms too close: (T0321)L138.C and (T0321)C142.O only 0.000 apart, marking (T0321)C142.O as missing WARNING: atoms too close: (T0321)C142.O and (T0321)C142.C only 0.000 apart, marking (T0321)C142.C as missing WARNING: atoms too close: (T0321)C142.SG and (T0321)C142.C only 0.000 apart, marking (T0321)C142.C as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)C142.C only 0.000 apart, marking (T0321)C142.C as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)C142.C only 0.000 apart, marking (T0321)C142.C as missing WARNING: atoms too close: (T0321)C142.N and (T0321)C142.C only 0.000 apart, marking (T0321)C142.C as missing WARNING: atoms too close: (T0321)I141.C and (T0321)C142.C only 0.000 apart, marking (T0321)C142.C as missing WARNING: atoms too close: (T0321)I141.O and (T0321)C142.C only 0.000 apart, marking (T0321)C142.C as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)C142.C only 0.000 apart, marking (T0321)C142.C as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)C142.C only 0.000 apart, marking (T0321)C142.C as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)C142.C only 0.000 apart, marking (T0321)C142.C as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)C142.C only 0.000 apart, marking (T0321)C142.C as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)C142.C only 0.000 apart, marking (T0321)C142.C as missing WARNING: atoms too close: (T0321)I141.N and (T0321)C142.C only 0.000 apart, marking (T0321)C142.C as missing WARNING: atoms too close: (T0321)P140.C and (T0321)C142.C only 0.000 apart, marking (T0321)C142.C as missing WARNING: atoms too close: (T0321)P140.O and (T0321)C142.C only 0.000 apart, marking (T0321)C142.C as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)C142.C only 0.000 apart, marking (T0321)C142.C as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)C142.C only 0.000 apart, marking (T0321)C142.C as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)C142.C only 0.000 apart, marking (T0321)C142.C as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)C142.C only 0.000 apart, marking (T0321)C142.C as missing WARNING: atoms too close: (T0321)P140.N and (T0321)C142.C only 0.000 apart, marking (T0321)C142.C as missing WARNING: atoms too close: (T0321)E139.C and (T0321)C142.C only 0.000 apart, marking (T0321)C142.C as missing WARNING: atoms too close: (T0321)E139.O and (T0321)C142.C only 0.000 apart, marking (T0321)C142.C as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)C142.C only 0.000 apart, marking (T0321)C142.C as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)C142.C only 0.000 apart, marking (T0321)C142.C as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)C142.C only 0.000 apart, marking (T0321)C142.C as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)C142.C only 0.000 apart, marking (T0321)C142.C as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)C142.C only 0.000 apart, marking (T0321)C142.C as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)C142.C only 0.000 apart, marking (T0321)C142.C as missing WARNING: atoms too close: (T0321)E139.N and (T0321)C142.C only 0.000 apart, marking (T0321)C142.C as missing WARNING: atoms too close: (T0321)L138.C and (T0321)C142.C only 0.000 apart, marking (T0321)C142.C as missing WARNING: atoms too close: (T0321)C142.C and (T0321)D143.N only 0.000 apart, marking (T0321)C142.C as missing WARNING: atoms too close: (T0321)C142.O and (T0321)D143.N only 0.000 apart, marking (T0321)C142.O as missing WARNING: atoms too close: (T0321)C142.SG and (T0321)D143.N only 0.000 apart, marking (T0321)C142.SG as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)D143.N only 0.000 apart, marking (T0321)C142.CB as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)D143.N only 0.000 apart, marking (T0321)C142.CA as missing WARNING: atoms too close: (T0321)C142.N and (T0321)D143.N only 0.000 apart, marking (T0321)C142.N as missing WARNING: atoms too close: (T0321)I141.C and (T0321)D143.N only 0.000 apart, marking (T0321)I141.C as missing WARNING: atoms too close: (T0321)I141.O and (T0321)D143.N only 0.000 apart, marking (T0321)I141.O as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)D143.N only 0.000 apart, marking (T0321)I141.CD1 as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)D143.N only 0.000 apart, marking (T0321)I141.CG2 as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)D143.N only 0.000 apart, marking (T0321)I141.CG1 as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)D143.N only 0.000 apart, marking (T0321)I141.CB as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)D143.N only 0.000 apart, marking (T0321)I141.CA as missing WARNING: atoms too close: (T0321)I141.N and (T0321)D143.N only 0.000 apart, marking (T0321)I141.N as missing WARNING: atoms too close: (T0321)P140.C and (T0321)D143.N only 0.000 apart, marking (T0321)P140.C as missing WARNING: atoms too close: (T0321)P140.O and (T0321)D143.N only 0.000 apart, marking (T0321)P140.O as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)D143.N only 0.000 apart, marking (T0321)P140.CD as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)D143.N only 0.000 apart, marking (T0321)P140.CG as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)D143.N only 0.000 apart, marking (T0321)P140.CB as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)D143.N only 0.000 apart, marking (T0321)P140.CA as missing WARNING: atoms too close: (T0321)P140.N and (T0321)D143.N only 0.000 apart, marking (T0321)P140.N as missing WARNING: atoms too close: (T0321)E139.C and (T0321)D143.N only 0.000 apart, marking (T0321)E139.C as missing WARNING: atoms too close: (T0321)E139.O and (T0321)D143.N only 0.000 apart, marking (T0321)E139.O as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)D143.N only 0.000 apart, marking (T0321)E139.OE2 as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)D143.N only 0.000 apart, marking (T0321)E139.OE1 as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)D143.N only 0.000 apart, marking (T0321)E139.CD as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)D143.N only 0.000 apart, marking (T0321)E139.CG as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)D143.N only 0.000 apart, marking (T0321)E139.CB as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)D143.N only 0.000 apart, marking (T0321)E139.CA as missing WARNING: atoms too close: (T0321)E139.N and (T0321)D143.N only 0.000 apart, marking (T0321)E139.N as missing WARNING: atoms too close: (T0321)L138.C and (T0321)D143.N only 0.000 apart, marking (T0321)D143.N as missing WARNING: atoms too close: (T0321)D143.N and (T0321)D143.CA only 0.000 apart, marking (T0321)D143.CA as missing WARNING: atoms too close: (T0321)C142.C and (T0321)D143.CA only 0.000 apart, marking (T0321)D143.CA as missing WARNING: atoms too close: (T0321)C142.O and (T0321)D143.CA only 0.000 apart, marking (T0321)D143.CA as missing WARNING: atoms too close: (T0321)C142.SG and (T0321)D143.CA only 0.000 apart, marking (T0321)D143.CA as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)D143.CA only 0.000 apart, marking (T0321)D143.CA as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)D143.CA only 0.000 apart, marking (T0321)D143.CA as missing WARNING: atoms too close: (T0321)C142.N and (T0321)D143.CA only 0.000 apart, marking (T0321)D143.CA as missing WARNING: atoms too close: (T0321)I141.C and (T0321)D143.CA only 0.000 apart, marking (T0321)D143.CA as missing WARNING: atoms too close: (T0321)I141.O and (T0321)D143.CA only 0.000 apart, marking (T0321)D143.CA as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)D143.CA only 0.000 apart, marking (T0321)D143.CA as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)D143.CA only 0.000 apart, marking (T0321)D143.CA as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)D143.CA only 0.000 apart, marking (T0321)D143.CA as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)D143.CA only 0.000 apart, marking (T0321)D143.CA as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)D143.CA only 0.000 apart, marking (T0321)D143.CA as missing WARNING: atoms too close: (T0321)I141.N and (T0321)D143.CA only 0.000 apart, marking (T0321)D143.CA as missing WARNING: atoms too close: (T0321)P140.C and (T0321)D143.CA only 0.000 apart, marking (T0321)D143.CA as missing WARNING: atoms too close: (T0321)P140.O and (T0321)D143.CA only 0.000 apart, marking (T0321)D143.CA as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)D143.CA only 0.000 apart, marking (T0321)D143.CA as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)D143.CA only 0.000 apart, marking (T0321)D143.CA as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)D143.CA only 0.000 apart, marking (T0321)D143.CA as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)D143.CA only 0.000 apart, marking (T0321)D143.CA as missing WARNING: atoms too close: (T0321)P140.N and (T0321)D143.CA only 0.000 apart, marking (T0321)D143.CA as missing WARNING: atoms too close: (T0321)E139.C and (T0321)D143.CA only 0.000 apart, marking (T0321)D143.CA as missing WARNING: atoms too close: (T0321)E139.O and (T0321)D143.CA only 0.000 apart, marking (T0321)D143.CA as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)D143.CA only 0.000 apart, marking (T0321)D143.CA as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)D143.CA only 0.000 apart, marking (T0321)D143.CA as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)D143.CA only 0.000 apart, marking (T0321)D143.CA as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)D143.CA only 0.000 apart, marking (T0321)D143.CA as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)D143.CA only 0.000 apart, marking (T0321)D143.CA as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)D143.CA only 0.000 apart, marking (T0321)D143.CA as missing WARNING: atoms too close: (T0321)E139.N and (T0321)D143.CA only 0.000 apart, marking (T0321)D143.CA as missing WARNING: atoms too close: (T0321)L138.C and (T0321)D143.CA only 0.000 apart, marking (T0321)D143.CA as missing WARNING: atoms too close: (T0321)D143.CA and (T0321)D143.CB only 0.000 apart, marking (T0321)D143.CB as missing WARNING: atoms too close: (T0321)D143.N and (T0321)D143.CB only 0.000 apart, marking (T0321)D143.CB as missing WARNING: atoms too close: (T0321)C142.C and (T0321)D143.CB only 0.000 apart, marking (T0321)D143.CB as missing WARNING: atoms too close: (T0321)C142.O and (T0321)D143.CB only 0.000 apart, marking (T0321)D143.CB as missing WARNING: atoms too close: (T0321)C142.SG and (T0321)D143.CB only 0.000 apart, marking (T0321)D143.CB as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)D143.CB only 0.000 apart, marking (T0321)D143.CB as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)D143.CB only 0.000 apart, marking (T0321)D143.CB as missing WARNING: atoms too close: (T0321)C142.N and (T0321)D143.CB only 0.000 apart, marking (T0321)D143.CB as missing WARNING: atoms too close: (T0321)I141.C and (T0321)D143.CB only 0.000 apart, marking (T0321)D143.CB as missing WARNING: atoms too close: (T0321)I141.O and (T0321)D143.CB only 0.000 apart, marking (T0321)D143.CB as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)D143.CB only 0.000 apart, marking (T0321)D143.CB as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)D143.CB only 0.000 apart, marking (T0321)D143.CB as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)D143.CB only 0.000 apart, marking (T0321)D143.CB as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)D143.CB only 0.000 apart, marking (T0321)D143.CB as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)D143.CB only 0.000 apart, marking (T0321)D143.CB as missing WARNING: atoms too close: (T0321)I141.N and (T0321)D143.CB only 0.000 apart, marking (T0321)D143.CB as missing WARNING: atoms too close: (T0321)P140.C and (T0321)D143.CB only 0.000 apart, marking (T0321)D143.CB as missing WARNING: atoms too close: (T0321)P140.O and (T0321)D143.CB only 0.000 apart, marking (T0321)D143.CB as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)D143.CB only 0.000 apart, marking (T0321)D143.CB as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)D143.CB only 0.000 apart, marking (T0321)D143.CB as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)D143.CB only 0.000 apart, marking (T0321)D143.CB as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)D143.CB only 0.000 apart, marking (T0321)D143.CB as missing WARNING: atoms too close: (T0321)P140.N and (T0321)D143.CB only 0.000 apart, marking (T0321)D143.CB as missing WARNING: atoms too close: (T0321)E139.C and (T0321)D143.CB only 0.000 apart, marking (T0321)D143.CB as missing WARNING: atoms too close: (T0321)E139.O and (T0321)D143.CB only 0.000 apart, marking (T0321)D143.CB as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)D143.CB only 0.000 apart, marking (T0321)D143.CB as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)D143.CB only 0.000 apart, marking (T0321)D143.CB as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)D143.CB only 0.000 apart, marking (T0321)D143.CB as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)D143.CB only 0.000 apart, marking (T0321)D143.CB as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)D143.CB only 0.000 apart, marking (T0321)D143.CB as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)D143.CB only 0.000 apart, marking (T0321)D143.CB as missing WARNING: atoms too close: (T0321)E139.N and (T0321)D143.CB only 0.000 apart, marking (T0321)D143.CB as missing WARNING: atoms too close: (T0321)L138.C and (T0321)D143.CB only 0.000 apart, marking (T0321)D143.CB as missing WARNING: atoms too close: (T0321)D143.CB and (T0321)D143.CG only 0.000 apart, marking (T0321)D143.CG as missing WARNING: atoms too close: (T0321)D143.CA and (T0321)D143.CG only 0.000 apart, marking (T0321)D143.CG as missing WARNING: atoms too close: (T0321)D143.N and (T0321)D143.CG only 0.000 apart, marking (T0321)D143.CG as missing WARNING: atoms too close: (T0321)C142.C and (T0321)D143.CG only 0.000 apart, marking (T0321)D143.CG as missing WARNING: atoms too close: (T0321)C142.O and (T0321)D143.CG only 0.000 apart, marking (T0321)D143.CG as missing WARNING: atoms too close: (T0321)C142.SG and (T0321)D143.CG only 0.000 apart, marking (T0321)D143.CG as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)D143.CG only 0.000 apart, marking (T0321)D143.CG as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)D143.CG only 0.000 apart, marking (T0321)D143.CG as missing WARNING: atoms too close: (T0321)C142.N and (T0321)D143.CG only 0.000 apart, marking (T0321)D143.CG as missing WARNING: atoms too close: (T0321)I141.C and (T0321)D143.CG only 0.000 apart, marking (T0321)D143.CG as missing WARNING: atoms too close: (T0321)I141.O and (T0321)D143.CG only 0.000 apart, marking (T0321)D143.CG as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)D143.CG only 0.000 apart, marking (T0321)D143.CG as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)D143.CG only 0.000 apart, marking (T0321)D143.CG as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)D143.CG only 0.000 apart, marking (T0321)D143.CG as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)D143.CG only 0.000 apart, marking (T0321)D143.CG as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)D143.CG only 0.000 apart, marking (T0321)D143.CG as missing WARNING: atoms too close: (T0321)I141.N and (T0321)D143.CG only 0.000 apart, marking (T0321)D143.CG as missing WARNING: atoms too close: (T0321)P140.C and (T0321)D143.CG only 0.000 apart, marking (T0321)D143.CG as missing WARNING: atoms too close: (T0321)P140.O and (T0321)D143.CG only 0.000 apart, marking (T0321)D143.CG as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)D143.CG only 0.000 apart, marking (T0321)D143.CG as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)D143.CG only 0.000 apart, marking (T0321)D143.CG as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)D143.CG only 0.000 apart, marking (T0321)D143.CG as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)D143.CG only 0.000 apart, marking (T0321)D143.CG as missing WARNING: atoms too close: (T0321)P140.N and (T0321)D143.CG only 0.000 apart, marking (T0321)D143.CG as missing WARNING: atoms too close: (T0321)E139.C and (T0321)D143.CG only 0.000 apart, marking (T0321)D143.CG as missing WARNING: atoms too close: (T0321)E139.O and (T0321)D143.CG only 0.000 apart, marking (T0321)D143.CG as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)D143.CG only 0.000 apart, marking (T0321)D143.CG as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)D143.CG only 0.000 apart, marking (T0321)D143.CG as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)D143.CG only 0.000 apart, marking (T0321)D143.CG as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)D143.CG only 0.000 apart, marking (T0321)D143.CG as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)D143.CG only 0.000 apart, marking (T0321)D143.CG as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)D143.CG only 0.000 apart, marking (T0321)D143.CG as missing WARNING: atoms too close: (T0321)E139.N and (T0321)D143.CG only 0.000 apart, marking (T0321)D143.CG as missing WARNING: atoms too close: (T0321)L138.C and (T0321)D143.CG only 0.000 apart, marking (T0321)D143.CG as missing WARNING: atoms too close: (T0321)D143.CG and (T0321)D143.OD1 only 0.000 apart, marking (T0321)D143.OD1 as missing WARNING: atoms too close: (T0321)D143.CB and (T0321)D143.OD1 only 0.000 apart, marking (T0321)D143.OD1 as missing WARNING: atoms too close: (T0321)D143.CA and (T0321)D143.OD1 only 0.000 apart, marking (T0321)D143.OD1 as missing WARNING: atoms too close: (T0321)D143.N and (T0321)D143.OD1 only 0.000 apart, marking (T0321)D143.OD1 as missing WARNING: atoms too close: (T0321)C142.C and (T0321)D143.OD1 only 0.000 apart, marking (T0321)D143.OD1 as missing WARNING: atoms too close: (T0321)C142.O and (T0321)D143.OD1 only 0.000 apart, marking (T0321)D143.OD1 as missing WARNING: atoms too close: (T0321)C142.SG and (T0321)D143.OD1 only 0.000 apart, marking (T0321)D143.OD1 as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)D143.OD1 only 0.000 apart, marking (T0321)D143.OD1 as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)D143.OD1 only 0.000 apart, marking (T0321)D143.OD1 as missing WARNING: atoms too close: (T0321)C142.N and (T0321)D143.OD1 only 0.000 apart, marking (T0321)D143.OD1 as missing WARNING: atoms too close: (T0321)I141.C and (T0321)D143.OD1 only 0.000 apart, marking (T0321)D143.OD1 as missing WARNING: atoms too close: (T0321)I141.O and (T0321)D143.OD1 only 0.000 apart, marking (T0321)D143.OD1 as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)D143.OD1 only 0.000 apart, marking (T0321)D143.OD1 as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)D143.OD1 only 0.000 apart, marking (T0321)D143.OD1 as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)D143.OD1 only 0.000 apart, marking (T0321)D143.OD1 as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)D143.OD1 only 0.000 apart, marking (T0321)D143.OD1 as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)D143.OD1 only 0.000 apart, marking (T0321)D143.OD1 as missing WARNING: atoms too close: (T0321)I141.N and (T0321)D143.OD1 only 0.000 apart, marking (T0321)D143.OD1 as missing WARNING: atoms too close: (T0321)P140.C and (T0321)D143.OD1 only 0.000 apart, marking (T0321)D143.OD1 as missing WARNING: atoms too close: (T0321)P140.O and (T0321)D143.OD1 only 0.000 apart, marking (T0321)D143.OD1 as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)D143.OD1 only 0.000 apart, marking (T0321)D143.OD1 as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)D143.OD1 only 0.000 apart, marking (T0321)D143.OD1 as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)D143.OD1 only 0.000 apart, marking (T0321)D143.OD1 as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)D143.OD1 only 0.000 apart, marking (T0321)D143.OD1 as missing WARNING: atoms too close: (T0321)P140.N and (T0321)D143.OD1 only 0.000 apart, marking (T0321)D143.OD1 as missing WARNING: atoms too close: (T0321)E139.C and (T0321)D143.OD1 only 0.000 apart, marking (T0321)D143.OD1 as missing WARNING: atoms too close: (T0321)E139.O and (T0321)D143.OD1 only 0.000 apart, marking (T0321)D143.OD1 as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)D143.OD1 only 0.000 apart, marking (T0321)D143.OD1 as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)D143.OD1 only 0.000 apart, marking (T0321)D143.OD1 as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)D143.OD1 only 0.000 apart, marking (T0321)D143.OD1 as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)D143.OD1 only 0.000 apart, marking (T0321)D143.OD1 as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)D143.OD1 only 0.000 apart, marking (T0321)D143.OD1 as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)D143.OD1 only 0.000 apart, marking (T0321)D143.OD1 as missing WARNING: atoms too close: (T0321)E139.N and (T0321)D143.OD1 only 0.000 apart, marking (T0321)D143.OD1 as missing WARNING: atoms too close: (T0321)L138.C and (T0321)D143.OD1 only 0.000 apart, marking (T0321)D143.OD1 as missing WARNING: atoms too close: (T0321)D143.OD1 and (T0321)D143.OD2 only 0.000 apart, marking (T0321)D143.OD2 as missing WARNING: atoms too close: (T0321)D143.CG and (T0321)D143.OD2 only 0.000 apart, marking (T0321)D143.OD2 as missing WARNING: atoms too close: (T0321)D143.CB and (T0321)D143.OD2 only 0.000 apart, marking (T0321)D143.OD2 as missing WARNING: atoms too close: (T0321)D143.CA and (T0321)D143.OD2 only 0.000 apart, marking (T0321)D143.OD2 as missing WARNING: atoms too close: (T0321)D143.N and (T0321)D143.OD2 only 0.000 apart, marking (T0321)D143.OD2 as missing WARNING: atoms too close: (T0321)C142.C and (T0321)D143.OD2 only 0.000 apart, marking (T0321)D143.OD2 as missing WARNING: atoms too close: (T0321)C142.O and (T0321)D143.OD2 only 0.000 apart, marking (T0321)D143.OD2 as missing WARNING: atoms too close: (T0321)C142.SG and (T0321)D143.OD2 only 0.000 apart, marking (T0321)D143.OD2 as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)D143.OD2 only 0.000 apart, marking (T0321)D143.OD2 as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)D143.OD2 only 0.000 apart, marking (T0321)D143.OD2 as missing WARNING: atoms too close: (T0321)C142.N and (T0321)D143.OD2 only 0.000 apart, marking (T0321)D143.OD2 as missing WARNING: atoms too close: (T0321)I141.C and (T0321)D143.OD2 only 0.000 apart, marking (T0321)D143.OD2 as missing WARNING: atoms too close: (T0321)I141.O and (T0321)D143.OD2 only 0.000 apart, marking (T0321)D143.OD2 as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)D143.OD2 only 0.000 apart, marking (T0321)D143.OD2 as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)D143.OD2 only 0.000 apart, marking (T0321)D143.OD2 as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)D143.OD2 only 0.000 apart, marking (T0321)D143.OD2 as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)D143.OD2 only 0.000 apart, marking (T0321)D143.OD2 as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)D143.OD2 only 0.000 apart, marking (T0321)D143.OD2 as missing WARNING: atoms too close: (T0321)I141.N and (T0321)D143.OD2 only 0.000 apart, marking (T0321)D143.OD2 as missing WARNING: atoms too close: (T0321)P140.C and (T0321)D143.OD2 only 0.000 apart, marking (T0321)D143.OD2 as missing WARNING: atoms too close: (T0321)P140.O and (T0321)D143.OD2 only 0.000 apart, marking (T0321)D143.OD2 as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)D143.OD2 only 0.000 apart, marking (T0321)D143.OD2 as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)D143.OD2 only 0.000 apart, marking (T0321)D143.OD2 as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)D143.OD2 only 0.000 apart, marking (T0321)D143.OD2 as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)D143.OD2 only 0.000 apart, marking (T0321)D143.OD2 as missing WARNING: atoms too close: (T0321)P140.N and (T0321)D143.OD2 only 0.000 apart, marking (T0321)D143.OD2 as missing WARNING: atoms too close: (T0321)E139.C and (T0321)D143.OD2 only 0.000 apart, marking (T0321)D143.OD2 as missing WARNING: atoms too close: (T0321)E139.O and (T0321)D143.OD2 only 0.000 apart, marking (T0321)D143.OD2 as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)D143.OD2 only 0.000 apart, marking (T0321)D143.OD2 as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)D143.OD2 only 0.000 apart, marking (T0321)D143.OD2 as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)D143.OD2 only 0.000 apart, marking (T0321)D143.OD2 as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)D143.OD2 only 0.000 apart, marking (T0321)D143.OD2 as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)D143.OD2 only 0.000 apart, marking (T0321)D143.OD2 as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)D143.OD2 only 0.000 apart, marking (T0321)D143.OD2 as missing WARNING: atoms too close: (T0321)E139.N and (T0321)D143.OD2 only 0.000 apart, marking (T0321)D143.OD2 as missing WARNING: atoms too close: (T0321)L138.C and (T0321)D143.OD2 only 0.000 apart, marking (T0321)D143.OD2 as missing WARNING: atoms too close: (T0321)D143.OD2 and (T0321)D143.O only 0.000 apart, marking (T0321)D143.O as missing WARNING: atoms too close: (T0321)D143.OD1 and (T0321)D143.O only 0.000 apart, marking (T0321)D143.O as missing WARNING: atoms too close: (T0321)D143.CG and (T0321)D143.O only 0.000 apart, marking (T0321)D143.O as missing WARNING: atoms too close: (T0321)D143.CB and (T0321)D143.O only 0.000 apart, marking (T0321)D143.O as missing WARNING: atoms too close: (T0321)D143.CA and (T0321)D143.O only 0.000 apart, marking (T0321)D143.O as missing WARNING: atoms too close: (T0321)D143.N and (T0321)D143.O only 0.000 apart, marking (T0321)D143.O as missing WARNING: atoms too close: (T0321)C142.C and (T0321)D143.O only 0.000 apart, marking (T0321)D143.O as missing WARNING: atoms too close: (T0321)C142.O and (T0321)D143.O only 0.000 apart, marking (T0321)D143.O as missing WARNING: atoms too close: (T0321)C142.SG and (T0321)D143.O only 0.000 apart, marking (T0321)D143.O as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)D143.O only 0.000 apart, marking (T0321)D143.O as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)D143.O only 0.000 apart, marking (T0321)D143.O as missing WARNING: atoms too close: (T0321)C142.N and (T0321)D143.O only 0.000 apart, marking (T0321)D143.O as missing WARNING: atoms too close: (T0321)I141.C and (T0321)D143.O only 0.000 apart, marking (T0321)D143.O as missing WARNING: atoms too close: (T0321)I141.O and (T0321)D143.O only 0.000 apart, marking (T0321)D143.O as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)D143.O only 0.000 apart, marking (T0321)D143.O as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)D143.O only 0.000 apart, marking (T0321)D143.O as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)D143.O only 0.000 apart, marking (T0321)D143.O as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)D143.O only 0.000 apart, marking (T0321)D143.O as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)D143.O only 0.000 apart, marking (T0321)D143.O as missing WARNING: atoms too close: (T0321)I141.N and (T0321)D143.O only 0.000 apart, marking (T0321)D143.O as missing WARNING: atoms too close: (T0321)P140.C and (T0321)D143.O only 0.000 apart, marking (T0321)D143.O as missing WARNING: atoms too close: (T0321)P140.O and (T0321)D143.O only 0.000 apart, marking (T0321)D143.O as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)D143.O only 0.000 apart, marking (T0321)D143.O as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)D143.O only 0.000 apart, marking (T0321)D143.O as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)D143.O only 0.000 apart, marking (T0321)D143.O as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)D143.O only 0.000 apart, marking (T0321)D143.O as missing WARNING: atoms too close: (T0321)P140.N and (T0321)D143.O only 0.000 apart, marking (T0321)D143.O as missing WARNING: atoms too close: (T0321)E139.C and (T0321)D143.O only 0.000 apart, marking (T0321)D143.O as missing WARNING: atoms too close: (T0321)E139.O and (T0321)D143.O only 0.000 apart, marking (T0321)D143.O as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)D143.O only 0.000 apart, marking (T0321)D143.O as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)D143.O only 0.000 apart, marking (T0321)D143.O as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)D143.O only 0.000 apart, marking (T0321)D143.O as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)D143.O only 0.000 apart, marking (T0321)D143.O as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)D143.O only 0.000 apart, marking (T0321)D143.O as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)D143.O only 0.000 apart, marking (T0321)D143.O as missing WARNING: atoms too close: (T0321)E139.N and (T0321)D143.O only 0.000 apart, marking (T0321)D143.O as missing WARNING: atoms too close: (T0321)L138.C and (T0321)D143.O only 0.000 apart, marking (T0321)D143.O as missing WARNING: atoms too close: (T0321)D143.O and (T0321)D143.C only 0.000 apart, marking (T0321)D143.C as missing WARNING: atoms too close: (T0321)D143.OD2 and (T0321)D143.C only 0.000 apart, marking (T0321)D143.C as missing WARNING: atoms too close: (T0321)D143.OD1 and (T0321)D143.C only 0.000 apart, marking (T0321)D143.C as missing WARNING: atoms too close: (T0321)D143.CG and (T0321)D143.C only 0.000 apart, marking (T0321)D143.C as missing WARNING: atoms too close: (T0321)D143.CB and (T0321)D143.C only 0.000 apart, marking (T0321)D143.C as missing WARNING: atoms too close: (T0321)D143.CA and (T0321)D143.C only 0.000 apart, marking (T0321)D143.C as missing WARNING: atoms too close: (T0321)D143.N and (T0321)D143.C only 0.000 apart, marking (T0321)D143.C as missing WARNING: atoms too close: (T0321)C142.C and (T0321)D143.C only 0.000 apart, marking (T0321)D143.C as missing WARNING: atoms too close: (T0321)C142.O and (T0321)D143.C only 0.000 apart, marking (T0321)D143.C as missing WARNING: atoms too close: (T0321)C142.SG and (T0321)D143.C only 0.000 apart, marking (T0321)D143.C as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)D143.C only 0.000 apart, marking (T0321)D143.C as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)D143.C only 0.000 apart, marking (T0321)D143.C as missing WARNING: atoms too close: (T0321)C142.N and (T0321)D143.C only 0.000 apart, marking (T0321)D143.C as missing WARNING: atoms too close: (T0321)I141.C and (T0321)D143.C only 0.000 apart, marking (T0321)D143.C as missing WARNING: atoms too close: (T0321)I141.O and (T0321)D143.C only 0.000 apart, marking (T0321)D143.C as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)D143.C only 0.000 apart, marking (T0321)D143.C as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)D143.C only 0.000 apart, marking (T0321)D143.C as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)D143.C only 0.000 apart, marking (T0321)D143.C as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)D143.C only 0.000 apart, marking (T0321)D143.C as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)D143.C only 0.000 apart, marking (T0321)D143.C as missing WARNING: atoms too close: (T0321)I141.N and (T0321)D143.C only 0.000 apart, marking (T0321)D143.C as missing WARNING: atoms too close: (T0321)P140.C and (T0321)D143.C only 0.000 apart, marking (T0321)D143.C as missing WARNING: atoms too close: (T0321)P140.O and (T0321)D143.C only 0.000 apart, marking (T0321)D143.C as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)D143.C only 0.000 apart, marking (T0321)D143.C as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)D143.C only 0.000 apart, marking (T0321)D143.C as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)D143.C only 0.000 apart, marking (T0321)D143.C as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)D143.C only 0.000 apart, marking (T0321)D143.C as missing WARNING: atoms too close: (T0321)P140.N and (T0321)D143.C only 0.000 apart, marking (T0321)D143.C as missing WARNING: atoms too close: (T0321)E139.C and (T0321)D143.C only 0.000 apart, marking (T0321)D143.C as missing WARNING: atoms too close: (T0321)E139.O and (T0321)D143.C only 0.000 apart, marking (T0321)D143.C as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)D143.C only 0.000 apart, marking (T0321)D143.C as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)D143.C only 0.000 apart, marking (T0321)D143.C as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)D143.C only 0.000 apart, marking (T0321)D143.C as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)D143.C only 0.000 apart, marking (T0321)D143.C as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)D143.C only 0.000 apart, marking (T0321)D143.C as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)D143.C only 0.000 apart, marking (T0321)D143.C as missing WARNING: atoms too close: (T0321)E139.N and (T0321)D143.C only 0.000 apart, marking (T0321)D143.C as missing WARNING: atoms too close: (T0321)L138.C and (T0321)D143.C only 0.000 apart, marking (T0321)D143.C as missing WARNING: atoms too close: (T0321)D143.C and (T0321)L144.N only 0.000 apart, marking (T0321)D143.C as missing WARNING: atoms too close: (T0321)D143.O and (T0321)L144.N only 0.000 apart, marking (T0321)D143.O as missing WARNING: atoms too close: (T0321)D143.OD2 and (T0321)L144.N only 0.000 apart, marking (T0321)D143.OD2 as missing WARNING: atoms too close: (T0321)D143.OD1 and (T0321)L144.N only 0.000 apart, marking (T0321)D143.OD1 as missing WARNING: atoms too close: (T0321)D143.CG and (T0321)L144.N only 0.000 apart, marking (T0321)D143.CG as missing WARNING: atoms too close: (T0321)D143.CB and (T0321)L144.N only 0.000 apart, marking (T0321)D143.CB as missing WARNING: atoms too close: (T0321)D143.CA and (T0321)L144.N only 0.000 apart, marking (T0321)D143.CA as missing WARNING: atoms too close: (T0321)D143.N and (T0321)L144.N only 0.000 apart, marking (T0321)D143.N as missing WARNING: atoms too close: (T0321)C142.C and (T0321)L144.N only 0.000 apart, marking (T0321)C142.C as missing WARNING: atoms too close: (T0321)C142.O and (T0321)L144.N only 0.000 apart, marking (T0321)C142.O as missing WARNING: atoms too close: (T0321)C142.SG and (T0321)L144.N only 0.000 apart, marking (T0321)C142.SG as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)L144.N only 0.000 apart, marking (T0321)C142.CB as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)L144.N only 0.000 apart, marking (T0321)C142.CA as missing WARNING: atoms too close: (T0321)C142.N and (T0321)L144.N only 0.000 apart, marking (T0321)C142.N as missing WARNING: atoms too close: (T0321)I141.C and (T0321)L144.N only 0.000 apart, marking (T0321)I141.C as missing WARNING: atoms too close: (T0321)I141.O and (T0321)L144.N only 0.000 apart, marking (T0321)I141.O as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)L144.N only 0.000 apart, marking (T0321)I141.CD1 as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)L144.N only 0.000 apart, marking (T0321)I141.CG2 as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)L144.N only 0.000 apart, marking (T0321)I141.CG1 as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)L144.N only 0.000 apart, marking (T0321)I141.CB as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)L144.N only 0.000 apart, marking (T0321)I141.CA as missing WARNING: atoms too close: (T0321)I141.N and (T0321)L144.N only 0.000 apart, marking (T0321)I141.N as missing WARNING: atoms too close: (T0321)P140.C and (T0321)L144.N only 0.000 apart, marking (T0321)P140.C as missing WARNING: atoms too close: (T0321)P140.O and (T0321)L144.N only 0.000 apart, marking (T0321)P140.O as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)L144.N only 0.000 apart, marking (T0321)P140.CD as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)L144.N only 0.000 apart, marking (T0321)P140.CG as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)L144.N only 0.000 apart, marking (T0321)P140.CB as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)L144.N only 0.000 apart, marking (T0321)P140.CA as missing WARNING: atoms too close: (T0321)P140.N and (T0321)L144.N only 0.000 apart, marking (T0321)P140.N as missing WARNING: atoms too close: (T0321)E139.C and (T0321)L144.N only 0.000 apart, marking (T0321)E139.C as missing WARNING: atoms too close: (T0321)E139.O and (T0321)L144.N only 0.000 apart, marking (T0321)E139.O as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)L144.N only 0.000 apart, marking (T0321)E139.OE2 as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)L144.N only 0.000 apart, marking (T0321)E139.OE1 as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)L144.N only 0.000 apart, marking (T0321)E139.CD as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)L144.N only 0.000 apart, marking (T0321)E139.CG as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)L144.N only 0.000 apart, marking (T0321)E139.CB as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)L144.N only 0.000 apart, marking (T0321)E139.CA as missing WARNING: atoms too close: (T0321)E139.N and (T0321)L144.N only 0.000 apart, marking (T0321)E139.N as missing WARNING: atoms too close: (T0321)L138.C and (T0321)L144.N only 0.000 apart, marking (T0321)L144.N as missing WARNING: atoms too close: (T0321)L144.N and (T0321)L144.CA only 0.000 apart, marking (T0321)L144.CA as missing WARNING: atoms too close: (T0321)D143.C and (T0321)L144.CA only 0.000 apart, marking (T0321)L144.CA as missing WARNING: atoms too close: (T0321)D143.O and (T0321)L144.CA only 0.000 apart, marking (T0321)L144.CA as missing WARNING: atoms too close: (T0321)D143.OD2 and (T0321)L144.CA only 0.000 apart, marking (T0321)L144.CA as missing WARNING: atoms too close: (T0321)D143.OD1 and (T0321)L144.CA only 0.000 apart, marking (T0321)L144.CA as missing WARNING: atoms too close: (T0321)D143.CG and (T0321)L144.CA only 0.000 apart, marking (T0321)L144.CA as missing WARNING: atoms too close: (T0321)D143.CB and (T0321)L144.CA only 0.000 apart, marking (T0321)L144.CA as missing WARNING: atoms too close: (T0321)D143.CA and (T0321)L144.CA only 0.000 apart, marking (T0321)L144.CA as missing WARNING: atoms too close: (T0321)D143.N and (T0321)L144.CA only 0.000 apart, marking (T0321)L144.CA as missing WARNING: atoms too close: (T0321)C142.C and (T0321)L144.CA only 0.000 apart, marking (T0321)L144.CA as missing WARNING: atoms too close: (T0321)C142.O and (T0321)L144.CA only 0.000 apart, marking (T0321)L144.CA as missing WARNING: atoms too close: (T0321)C142.SG and (T0321)L144.CA only 0.000 apart, marking (T0321)L144.CA as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)L144.CA only 0.000 apart, marking (T0321)L144.CA as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)L144.CA only 0.000 apart, marking (T0321)L144.CA as missing WARNING: atoms too close: (T0321)C142.N and (T0321)L144.CA only 0.000 apart, marking (T0321)L144.CA as missing WARNING: atoms too close: (T0321)I141.C and (T0321)L144.CA only 0.000 apart, marking (T0321)L144.CA as missing WARNING: atoms too close: (T0321)I141.O and (T0321)L144.CA only 0.000 apart, marking (T0321)L144.CA as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)L144.CA only 0.000 apart, marking (T0321)L144.CA as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)L144.CA only 0.000 apart, marking (T0321)L144.CA as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)L144.CA only 0.000 apart, marking (T0321)L144.CA as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)L144.CA only 0.000 apart, marking (T0321)L144.CA as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)L144.CA only 0.000 apart, marking (T0321)L144.CA as missing WARNING: atoms too close: (T0321)I141.N and (T0321)L144.CA only 0.000 apart, marking (T0321)L144.CA as missing WARNING: atoms too close: (T0321)P140.C and (T0321)L144.CA only 0.000 apart, marking (T0321)L144.CA as missing WARNING: atoms too close: (T0321)P140.O and (T0321)L144.CA only 0.000 apart, marking (T0321)L144.CA as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)L144.CA only 0.000 apart, marking (T0321)L144.CA as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)L144.CA only 0.000 apart, marking (T0321)L144.CA as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)L144.CA only 0.000 apart, marking (T0321)L144.CA as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)L144.CA only 0.000 apart, marking (T0321)L144.CA as missing WARNING: atoms too close: (T0321)P140.N and (T0321)L144.CA only 0.000 apart, marking (T0321)L144.CA as missing WARNING: atoms too close: (T0321)E139.C and (T0321)L144.CA only 0.000 apart, marking (T0321)L144.CA as missing WARNING: atoms too close: (T0321)E139.O and (T0321)L144.CA only 0.000 apart, marking (T0321)L144.CA as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)L144.CA only 0.000 apart, marking (T0321)L144.CA as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)L144.CA only 0.000 apart, marking (T0321)L144.CA as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)L144.CA only 0.000 apart, marking (T0321)L144.CA as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)L144.CA only 0.000 apart, marking (T0321)L144.CA as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)L144.CA only 0.000 apart, marking (T0321)L144.CA as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)L144.CA only 0.000 apart, marking (T0321)L144.CA as missing WARNING: atoms too close: (T0321)E139.N and (T0321)L144.CA only 0.000 apart, marking (T0321)L144.CA as missing WARNING: atoms too close: (T0321)L138.C and (T0321)L144.CA only 0.000 apart, marking (T0321)L144.CA as missing WARNING: atoms too close: (T0321)L144.CA and (T0321)L144.CB only 0.000 apart, marking (T0321)L144.CB as missing WARNING: atoms too close: (T0321)L144.N and (T0321)L144.CB only 0.000 apart, marking (T0321)L144.CB as missing WARNING: atoms too close: (T0321)D143.C and (T0321)L144.CB only 0.000 apart, marking (T0321)L144.CB as missing WARNING: atoms too close: (T0321)D143.O and (T0321)L144.CB only 0.000 apart, marking (T0321)L144.CB as missing WARNING: atoms too close: (T0321)D143.OD2 and (T0321)L144.CB only 0.000 apart, marking (T0321)L144.CB as missing WARNING: atoms too close: (T0321)D143.OD1 and (T0321)L144.CB only 0.000 apart, marking (T0321)L144.CB as missing WARNING: atoms too close: (T0321)D143.CG and (T0321)L144.CB only 0.000 apart, marking (T0321)L144.CB as missing WARNING: atoms too close: (T0321)D143.CB and (T0321)L144.CB only 0.000 apart, marking (T0321)L144.CB as missing WARNING: atoms too close: (T0321)D143.CA and (T0321)L144.CB only 0.000 apart, marking (T0321)L144.CB as missing WARNING: atoms too close: (T0321)D143.N and (T0321)L144.CB only 0.000 apart, marking (T0321)L144.CB as missing WARNING: atoms too close: (T0321)C142.C and (T0321)L144.CB only 0.000 apart, marking (T0321)L144.CB as missing WARNING: atoms too close: (T0321)C142.O and (T0321)L144.CB only 0.000 apart, marking (T0321)L144.CB as missing WARNING: atoms too close: (T0321)C142.SG and (T0321)L144.CB only 0.000 apart, marking (T0321)L144.CB as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)L144.CB only 0.000 apart, marking (T0321)L144.CB as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)L144.CB only 0.000 apart, marking (T0321)L144.CB as missing WARNING: atoms too close: (T0321)C142.N and (T0321)L144.CB only 0.000 apart, marking (T0321)L144.CB as missing WARNING: atoms too close: (T0321)I141.C and (T0321)L144.CB only 0.000 apart, marking (T0321)L144.CB as missing WARNING: atoms too close: (T0321)I141.O and (T0321)L144.CB only 0.000 apart, marking (T0321)L144.CB as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)L144.CB only 0.000 apart, marking (T0321)L144.CB as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)L144.CB only 0.000 apart, marking (T0321)L144.CB as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)L144.CB only 0.000 apart, marking (T0321)L144.CB as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)L144.CB only 0.000 apart, marking (T0321)L144.CB as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)L144.CB only 0.000 apart, marking (T0321)L144.CB as missing WARNING: atoms too close: (T0321)I141.N and (T0321)L144.CB only 0.000 apart, marking (T0321)L144.CB as missing WARNING: atoms too close: (T0321)P140.C and (T0321)L144.CB only 0.000 apart, marking (T0321)L144.CB as missing WARNING: atoms too close: (T0321)P140.O and (T0321)L144.CB only 0.000 apart, marking (T0321)L144.CB as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)L144.CB only 0.000 apart, marking (T0321)L144.CB as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)L144.CB only 0.000 apart, marking (T0321)L144.CB as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)L144.CB only 0.000 apart, marking (T0321)L144.CB as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)L144.CB only 0.000 apart, marking (T0321)L144.CB as missing WARNING: atoms too close: (T0321)P140.N and (T0321)L144.CB only 0.000 apart, marking (T0321)L144.CB as missing WARNING: atoms too close: (T0321)E139.C and (T0321)L144.CB only 0.000 apart, marking (T0321)L144.CB as missing WARNING: atoms too close: (T0321)E139.O and (T0321)L144.CB only 0.000 apart, marking (T0321)L144.CB as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)L144.CB only 0.000 apart, marking (T0321)L144.CB as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)L144.CB only 0.000 apart, marking (T0321)L144.CB as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)L144.CB only 0.000 apart, marking (T0321)L144.CB as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)L144.CB only 0.000 apart, marking (T0321)L144.CB as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)L144.CB only 0.000 apart, marking (T0321)L144.CB as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)L144.CB only 0.000 apart, marking (T0321)L144.CB as missing WARNING: atoms too close: (T0321)E139.N and (T0321)L144.CB only 0.000 apart, marking (T0321)L144.CB as missing WARNING: atoms too close: (T0321)L138.C and (T0321)L144.CB only 0.000 apart, marking (T0321)L144.CB as missing WARNING: atoms too close: (T0321)L144.CB and (T0321)L144.CG only 0.000 apart, marking (T0321)L144.CG as missing WARNING: atoms too close: (T0321)L144.CA and (T0321)L144.CG only 0.000 apart, marking (T0321)L144.CG as missing WARNING: atoms too close: (T0321)L144.N and (T0321)L144.CG only 0.000 apart, marking (T0321)L144.CG as missing WARNING: atoms too close: (T0321)D143.C and (T0321)L144.CG only 0.000 apart, marking (T0321)L144.CG as missing WARNING: atoms too close: (T0321)D143.O and (T0321)L144.CG only 0.000 apart, marking (T0321)L144.CG as missing WARNING: atoms too close: (T0321)D143.OD2 and (T0321)L144.CG only 0.000 apart, marking (T0321)L144.CG as missing WARNING: atoms too close: (T0321)D143.OD1 and (T0321)L144.CG only 0.000 apart, marking (T0321)L144.CG as missing WARNING: atoms too close: (T0321)D143.CG and (T0321)L144.CG only 0.000 apart, marking (T0321)L144.CG as missing WARNING: atoms too close: (T0321)D143.CB and (T0321)L144.CG only 0.000 apart, marking (T0321)L144.CG as missing WARNING: atoms too close: (T0321)D143.CA and (T0321)L144.CG only 0.000 apart, marking (T0321)L144.CG as missing WARNING: atoms too close: (T0321)D143.N and (T0321)L144.CG only 0.000 apart, marking (T0321)L144.CG as missing WARNING: atoms too close: (T0321)C142.C and (T0321)L144.CG only 0.000 apart, marking (T0321)L144.CG as missing WARNING: atoms too close: (T0321)C142.O and (T0321)L144.CG only 0.000 apart, marking (T0321)L144.CG as missing WARNING: atoms too close: (T0321)C142.SG and (T0321)L144.CG only 0.000 apart, marking (T0321)L144.CG as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)L144.CG only 0.000 apart, marking (T0321)L144.CG as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)L144.CG only 0.000 apart, marking (T0321)L144.CG as missing WARNING: atoms too close: (T0321)C142.N and (T0321)L144.CG only 0.000 apart, marking (T0321)L144.CG as missing WARNING: atoms too close: (T0321)I141.C and (T0321)L144.CG only 0.000 apart, marking (T0321)L144.CG as missing WARNING: atoms too close: (T0321)I141.O and (T0321)L144.CG only 0.000 apart, marking (T0321)L144.CG as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)L144.CG only 0.000 apart, marking (T0321)L144.CG as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)L144.CG only 0.000 apart, marking (T0321)L144.CG as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)L144.CG only 0.000 apart, marking (T0321)L144.CG as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)L144.CG only 0.000 apart, marking (T0321)L144.CG as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)L144.CG only 0.000 apart, marking (T0321)L144.CG as missing WARNING: atoms too close: (T0321)I141.N and (T0321)L144.CG only 0.000 apart, marking (T0321)L144.CG as missing WARNING: atoms too close: (T0321)P140.C and (T0321)L144.CG only 0.000 apart, marking (T0321)L144.CG as missing WARNING: atoms too close: (T0321)P140.O and (T0321)L144.CG only 0.000 apart, marking (T0321)L144.CG as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)L144.CG only 0.000 apart, marking (T0321)L144.CG as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)L144.CG only 0.000 apart, marking (T0321)L144.CG as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)L144.CG only 0.000 apart, marking (T0321)L144.CG as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)L144.CG only 0.000 apart, marking (T0321)L144.CG as missing WARNING: atoms too close: (T0321)P140.N and (T0321)L144.CG only 0.000 apart, marking (T0321)L144.CG as missing WARNING: atoms too close: (T0321)E139.C and (T0321)L144.CG only 0.000 apart, marking (T0321)L144.CG as missing WARNING: atoms too close: (T0321)E139.O and (T0321)L144.CG only 0.000 apart, marking (T0321)L144.CG as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)L144.CG only 0.000 apart, marking (T0321)L144.CG as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)L144.CG only 0.000 apart, marking (T0321)L144.CG as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)L144.CG only 0.000 apart, marking (T0321)L144.CG as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)L144.CG only 0.000 apart, marking (T0321)L144.CG as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)L144.CG only 0.000 apart, marking (T0321)L144.CG as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)L144.CG only 0.000 apart, marking (T0321)L144.CG as missing WARNING: atoms too close: (T0321)E139.N and (T0321)L144.CG only 0.000 apart, marking (T0321)L144.CG as missing WARNING: atoms too close: (T0321)L138.C and (T0321)L144.CG only 0.000 apart, marking (T0321)L144.CG as missing WARNING: atoms too close: (T0321)L144.CG and (T0321)L144.CD1 only 0.000 apart, marking (T0321)L144.CD1 as missing WARNING: atoms too close: (T0321)L144.CB and (T0321)L144.CD1 only 0.000 apart, marking (T0321)L144.CD1 as missing WARNING: atoms too close: (T0321)L144.CA and (T0321)L144.CD1 only 0.000 apart, marking (T0321)L144.CD1 as missing WARNING: atoms too close: (T0321)L144.N and (T0321)L144.CD1 only 0.000 apart, marking (T0321)L144.CD1 as missing WARNING: atoms too close: (T0321)D143.C and (T0321)L144.CD1 only 0.000 apart, marking (T0321)L144.CD1 as missing WARNING: atoms too close: (T0321)D143.O and (T0321)L144.CD1 only 0.000 apart, marking (T0321)L144.CD1 as missing WARNING: atoms too close: (T0321)D143.OD2 and (T0321)L144.CD1 only 0.000 apart, marking (T0321)L144.CD1 as missing WARNING: atoms too close: (T0321)D143.OD1 and (T0321)L144.CD1 only 0.000 apart, marking (T0321)L144.CD1 as missing WARNING: atoms too close: (T0321)D143.CG and (T0321)L144.CD1 only 0.000 apart, marking (T0321)L144.CD1 as missing WARNING: atoms too close: (T0321)D143.CB and (T0321)L144.CD1 only 0.000 apart, marking (T0321)L144.CD1 as missing WARNING: atoms too close: (T0321)D143.CA and (T0321)L144.CD1 only 0.000 apart, marking (T0321)L144.CD1 as missing WARNING: atoms too close: (T0321)D143.N and (T0321)L144.CD1 only 0.000 apart, marking (T0321)L144.CD1 as missing WARNING: atoms too close: (T0321)C142.C and (T0321)L144.CD1 only 0.000 apart, marking (T0321)L144.CD1 as missing WARNING: atoms too close: (T0321)C142.O and (T0321)L144.CD1 only 0.000 apart, marking (T0321)L144.CD1 as missing WARNING: atoms too close: (T0321)C142.SG and (T0321)L144.CD1 only 0.000 apart, marking (T0321)L144.CD1 as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)L144.CD1 only 0.000 apart, marking (T0321)L144.CD1 as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)L144.CD1 only 0.000 apart, marking (T0321)L144.CD1 as missing WARNING: atoms too close: (T0321)C142.N and (T0321)L144.CD1 only 0.000 apart, marking (T0321)L144.CD1 as missing WARNING: atoms too close: (T0321)I141.C and (T0321)L144.CD1 only 0.000 apart, marking (T0321)L144.CD1 as missing WARNING: atoms too close: (T0321)I141.O and (T0321)L144.CD1 only 0.000 apart, marking (T0321)L144.CD1 as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)L144.CD1 only 0.000 apart, marking (T0321)L144.CD1 as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)L144.CD1 only 0.000 apart, marking (T0321)L144.CD1 as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)L144.CD1 only 0.000 apart, marking (T0321)L144.CD1 as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)L144.CD1 only 0.000 apart, marking (T0321)L144.CD1 as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)L144.CD1 only 0.000 apart, marking (T0321)L144.CD1 as missing WARNING: atoms too close: (T0321)I141.N and (T0321)L144.CD1 only 0.000 apart, marking (T0321)L144.CD1 as missing WARNING: atoms too close: (T0321)P140.C and (T0321)L144.CD1 only 0.000 apart, marking (T0321)L144.CD1 as missing WARNING: atoms too close: (T0321)P140.O and (T0321)L144.CD1 only 0.000 apart, marking (T0321)L144.CD1 as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)L144.CD1 only 0.000 apart, marking (T0321)L144.CD1 as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)L144.CD1 only 0.000 apart, marking (T0321)L144.CD1 as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)L144.CD1 only 0.000 apart, marking (T0321)L144.CD1 as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)L144.CD1 only 0.000 apart, marking (T0321)L144.CD1 as missing WARNING: atoms too close: (T0321)P140.N and (T0321)L144.CD1 only 0.000 apart, marking (T0321)L144.CD1 as missing WARNING: atoms too close: (T0321)E139.C and (T0321)L144.CD1 only 0.000 apart, marking (T0321)L144.CD1 as missing WARNING: atoms too close: (T0321)E139.O and (T0321)L144.CD1 only 0.000 apart, marking (T0321)L144.CD1 as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)L144.CD1 only 0.000 apart, marking (T0321)L144.CD1 as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)L144.CD1 only 0.000 apart, marking (T0321)L144.CD1 as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)L144.CD1 only 0.000 apart, marking (T0321)L144.CD1 as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)L144.CD1 only 0.000 apart, marking (T0321)L144.CD1 as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)L144.CD1 only 0.000 apart, marking (T0321)L144.CD1 as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)L144.CD1 only 0.000 apart, marking (T0321)L144.CD1 as missing WARNING: atoms too close: (T0321)E139.N and (T0321)L144.CD1 only 0.000 apart, marking (T0321)L144.CD1 as missing WARNING: atoms too close: (T0321)L138.C and (T0321)L144.CD1 only 0.000 apart, marking (T0321)L144.CD1 as missing WARNING: atoms too close: (T0321)L144.CD1 and (T0321)L144.CD2 only 0.000 apart, marking (T0321)L144.CD2 as missing WARNING: atoms too close: (T0321)L144.CG and (T0321)L144.CD2 only 0.000 apart, marking (T0321)L144.CD2 as missing WARNING: atoms too close: (T0321)L144.CB and (T0321)L144.CD2 only 0.000 apart, marking (T0321)L144.CD2 as missing WARNING: atoms too close: (T0321)L144.CA and (T0321)L144.CD2 only 0.000 apart, marking (T0321)L144.CD2 as missing WARNING: atoms too close: (T0321)L144.N and (T0321)L144.CD2 only 0.000 apart, marking (T0321)L144.CD2 as missing WARNING: atoms too close: (T0321)D143.C and (T0321)L144.CD2 only 0.000 apart, marking (T0321)L144.CD2 as missing WARNING: atoms too close: (T0321)D143.O and (T0321)L144.CD2 only 0.000 apart, marking (T0321)L144.CD2 as missing WARNING: atoms too close: (T0321)D143.OD2 and (T0321)L144.CD2 only 0.000 apart, marking (T0321)L144.CD2 as missing WARNING: atoms too close: (T0321)D143.OD1 and (T0321)L144.CD2 only 0.000 apart, marking (T0321)L144.CD2 as missing WARNING: atoms too close: (T0321)D143.CG and (T0321)L144.CD2 only 0.000 apart, marking (T0321)L144.CD2 as missing WARNING: atoms too close: (T0321)D143.CB and (T0321)L144.CD2 only 0.000 apart, marking (T0321)L144.CD2 as missing WARNING: atoms too close: (T0321)D143.CA and (T0321)L144.CD2 only 0.000 apart, marking (T0321)L144.CD2 as missing WARNING: atoms too close: (T0321)D143.N and (T0321)L144.CD2 only 0.000 apart, marking (T0321)L144.CD2 as missing WARNING: atoms too close: (T0321)C142.C and (T0321)L144.CD2 only 0.000 apart, marking (T0321)L144.CD2 as missing WARNING: atoms too close: (T0321)C142.O and (T0321)L144.CD2 only 0.000 apart, marking (T0321)L144.CD2 as missing WARNING: atoms too close: (T0321)C142.SG and (T0321)L144.CD2 only 0.000 apart, marking (T0321)L144.CD2 as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)L144.CD2 only 0.000 apart, marking (T0321)L144.CD2 as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)L144.CD2 only 0.000 apart, marking (T0321)L144.CD2 as missing WARNING: atoms too close: (T0321)C142.N and (T0321)L144.CD2 only 0.000 apart, marking (T0321)L144.CD2 as missing WARNING: atoms too close: (T0321)I141.C and (T0321)L144.CD2 only 0.000 apart, marking (T0321)L144.CD2 as missing WARNING: atoms too close: (T0321)I141.O and (T0321)L144.CD2 only 0.000 apart, marking (T0321)L144.CD2 as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)L144.CD2 only 0.000 apart, marking (T0321)L144.CD2 as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)L144.CD2 only 0.000 apart, marking (T0321)L144.CD2 as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)L144.CD2 only 0.000 apart, marking (T0321)L144.CD2 as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)L144.CD2 only 0.000 apart, marking (T0321)L144.CD2 as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)L144.CD2 only 0.000 apart, marking (T0321)L144.CD2 as missing WARNING: atoms too close: (T0321)I141.N and (T0321)L144.CD2 only 0.000 apart, marking (T0321)L144.CD2 as missing WARNING: atoms too close: (T0321)P140.C and (T0321)L144.CD2 only 0.000 apart, marking (T0321)L144.CD2 as missing WARNING: atoms too close: (T0321)P140.O and (T0321)L144.CD2 only 0.000 apart, marking (T0321)L144.CD2 as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)L144.CD2 only 0.000 apart, marking (T0321)L144.CD2 as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)L144.CD2 only 0.000 apart, marking (T0321)L144.CD2 as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)L144.CD2 only 0.000 apart, marking (T0321)L144.CD2 as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)L144.CD2 only 0.000 apart, marking (T0321)L144.CD2 as missing WARNING: atoms too close: (T0321)P140.N and (T0321)L144.CD2 only 0.000 apart, marking (T0321)L144.CD2 as missing WARNING: atoms too close: (T0321)E139.C and (T0321)L144.CD2 only 0.000 apart, marking (T0321)L144.CD2 as missing WARNING: atoms too close: (T0321)E139.O and (T0321)L144.CD2 only 0.000 apart, marking (T0321)L144.CD2 as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)L144.CD2 only 0.000 apart, marking (T0321)L144.CD2 as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)L144.CD2 only 0.000 apart, marking (T0321)L144.CD2 as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)L144.CD2 only 0.000 apart, marking (T0321)L144.CD2 as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)L144.CD2 only 0.000 apart, marking (T0321)L144.CD2 as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)L144.CD2 only 0.000 apart, marking (T0321)L144.CD2 as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)L144.CD2 only 0.000 apart, marking (T0321)L144.CD2 as missing WARNING: atoms too close: (T0321)E139.N and (T0321)L144.CD2 only 0.000 apart, marking (T0321)L144.CD2 as missing WARNING: atoms too close: (T0321)L138.C and (T0321)L144.CD2 only 0.000 apart, marking (T0321)L144.CD2 as missing WARNING: atoms too close: (T0321)L144.CD2 and (T0321)L144.O only 0.000 apart, marking (T0321)L144.O as missing WARNING: atoms too close: (T0321)L144.CD1 and (T0321)L144.O only 0.000 apart, marking (T0321)L144.O as missing WARNING: atoms too close: (T0321)L144.CG and (T0321)L144.O only 0.000 apart, marking (T0321)L144.O as missing WARNING: atoms too close: (T0321)L144.CB and (T0321)L144.O only 0.000 apart, marking (T0321)L144.O as missing WARNING: atoms too close: (T0321)L144.CA and (T0321)L144.O only 0.000 apart, marking (T0321)L144.O as missing WARNING: atoms too close: (T0321)L144.N and (T0321)L144.O only 0.000 apart, marking (T0321)L144.O as missing WARNING: atoms too close: (T0321)D143.C and (T0321)L144.O only 0.000 apart, marking (T0321)L144.O as missing WARNING: atoms too close: (T0321)D143.O and (T0321)L144.O only 0.000 apart, marking (T0321)L144.O as missing WARNING: atoms too close: (T0321)D143.OD2 and (T0321)L144.O only 0.000 apart, marking (T0321)L144.O as missing WARNING: atoms too close: (T0321)D143.OD1 and (T0321)L144.O only 0.000 apart, marking (T0321)L144.O as missing WARNING: atoms too close: (T0321)D143.CG and (T0321)L144.O only 0.000 apart, marking (T0321)L144.O as missing WARNING: atoms too close: (T0321)D143.CB and (T0321)L144.O only 0.000 apart, marking (T0321)L144.O as missing WARNING: atoms too close: (T0321)D143.CA and (T0321)L144.O only 0.000 apart, marking (T0321)L144.O as missing WARNING: atoms too close: (T0321)D143.N and (T0321)L144.O only 0.000 apart, marking (T0321)L144.O as missing WARNING: atoms too close: (T0321)C142.C and (T0321)L144.O only 0.000 apart, marking (T0321)L144.O as missing WARNING: atoms too close: (T0321)C142.O and (T0321)L144.O only 0.000 apart, marking (T0321)L144.O as missing WARNING: atoms too close: (T0321)C142.SG and (T0321)L144.O only 0.000 apart, marking (T0321)L144.O as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)L144.O only 0.000 apart, marking (T0321)L144.O as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)L144.O only 0.000 apart, marking (T0321)L144.O as missing WARNING: atoms too close: (T0321)C142.N and (T0321)L144.O only 0.000 apart, marking (T0321)L144.O as missing WARNING: atoms too close: (T0321)I141.C and (T0321)L144.O only 0.000 apart, marking (T0321)L144.O as missing WARNING: atoms too close: (T0321)I141.O and (T0321)L144.O only 0.000 apart, marking (T0321)L144.O as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)L144.O only 0.000 apart, marking (T0321)L144.O as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)L144.O only 0.000 apart, marking (T0321)L144.O as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)L144.O only 0.000 apart, marking (T0321)L144.O as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)L144.O only 0.000 apart, marking (T0321)L144.O as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)L144.O only 0.000 apart, marking (T0321)L144.O as missing WARNING: atoms too close: (T0321)I141.N and (T0321)L144.O only 0.000 apart, marking (T0321)L144.O as missing WARNING: atoms too close: (T0321)P140.C and (T0321)L144.O only 0.000 apart, marking (T0321)L144.O as missing WARNING: atoms too close: (T0321)P140.O and (T0321)L144.O only 0.000 apart, marking (T0321)L144.O as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)L144.O only 0.000 apart, marking (T0321)L144.O as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)L144.O only 0.000 apart, marking (T0321)L144.O as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)L144.O only 0.000 apart, marking (T0321)L144.O as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)L144.O only 0.000 apart, marking (T0321)L144.O as missing WARNING: atoms too close: (T0321)P140.N and (T0321)L144.O only 0.000 apart, marking (T0321)L144.O as missing WARNING: atoms too close: (T0321)E139.C and (T0321)L144.O only 0.000 apart, marking (T0321)L144.O as missing WARNING: atoms too close: (T0321)E139.O and (T0321)L144.O only 0.000 apart, marking (T0321)L144.O as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)L144.O only 0.000 apart, marking (T0321)L144.O as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)L144.O only 0.000 apart, marking (T0321)L144.O as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)L144.O only 0.000 apart, marking (T0321)L144.O as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)L144.O only 0.000 apart, marking (T0321)L144.O as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)L144.O only 0.000 apart, marking (T0321)L144.O as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)L144.O only 0.000 apart, marking (T0321)L144.O as missing WARNING: atoms too close: (T0321)E139.N and (T0321)L144.O only 0.000 apart, marking (T0321)L144.O as missing WARNING: atoms too close: (T0321)L138.C and (T0321)L144.O only 0.000 apart, marking (T0321)L144.O as missing WARNING: atoms too close: (T0321)L144.O and (T0321)L144.C only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)L144.CD2 and (T0321)L144.C only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)L144.CD1 and (T0321)L144.C only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)L144.CG and (T0321)L144.C only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)L144.CB and (T0321)L144.C only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)L144.CA and (T0321)L144.C only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)L144.N and (T0321)L144.C only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)D143.C and (T0321)L144.C only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)D143.O and (T0321)L144.C only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)D143.OD2 and (T0321)L144.C only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)D143.OD1 and (T0321)L144.C only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)D143.CG and (T0321)L144.C only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)D143.CB and (T0321)L144.C only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)D143.CA and (T0321)L144.C only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)D143.N and (T0321)L144.C only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)C142.C and (T0321)L144.C only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)C142.O and (T0321)L144.C only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)C142.SG and (T0321)L144.C only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)L144.C only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)L144.C only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)C142.N and (T0321)L144.C only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)I141.C and (T0321)L144.C only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)I141.O and (T0321)L144.C only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)L144.C only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)L144.C only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)L144.C only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)L144.C only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)L144.C only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)I141.N and (T0321)L144.C only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)P140.C and (T0321)L144.C only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)P140.O and (T0321)L144.C only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)L144.C only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)L144.C only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)L144.C only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)L144.C only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)P140.N and (T0321)L144.C only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)E139.C and (T0321)L144.C only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)E139.O and (T0321)L144.C only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)L144.C only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)L144.C only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)L144.C only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)L144.C only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)L144.C only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)L144.C only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)E139.N and (T0321)L144.C only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)L138.C and (T0321)L144.C only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)L144.C and (T0321)S145.N only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)L144.O and (T0321)S145.N only 0.000 apart, marking (T0321)L144.O as missing WARNING: atoms too close: (T0321)L144.CD2 and (T0321)S145.N only 0.000 apart, marking (T0321)L144.CD2 as missing WARNING: atoms too close: (T0321)L144.CD1 and (T0321)S145.N only 0.000 apart, marking (T0321)L144.CD1 as missing WARNING: atoms too close: (T0321)L144.CG and (T0321)S145.N only 0.000 apart, marking (T0321)L144.CG as missing WARNING: atoms too close: (T0321)L144.CB and (T0321)S145.N only 0.000 apart, marking (T0321)L144.CB as missing WARNING: atoms too close: (T0321)L144.CA and (T0321)S145.N only 0.000 apart, marking (T0321)L144.CA as missing WARNING: atoms too close: (T0321)L144.N and (T0321)S145.N only 0.000 apart, marking (T0321)L144.N as missing WARNING: atoms too close: (T0321)D143.C and (T0321)S145.N only 0.000 apart, marking (T0321)D143.C as missing WARNING: atoms too close: (T0321)D143.O and (T0321)S145.N only 0.000 apart, marking (T0321)D143.O as missing WARNING: atoms too close: (T0321)D143.OD2 and (T0321)S145.N only 0.000 apart, marking (T0321)D143.OD2 as missing WARNING: atoms too close: (T0321)D143.OD1 and (T0321)S145.N only 0.000 apart, marking (T0321)D143.OD1 as missing WARNING: atoms too close: (T0321)D143.CG and (T0321)S145.N only 0.000 apart, marking (T0321)D143.CG as missing WARNING: atoms too close: (T0321)D143.CB and (T0321)S145.N only 0.000 apart, marking (T0321)D143.CB as missing WARNING: atoms too close: (T0321)D143.CA and (T0321)S145.N only 0.000 apart, marking (T0321)D143.CA as missing WARNING: atoms too close: (T0321)D143.N and (T0321)S145.N only 0.000 apart, marking (T0321)D143.N as missing WARNING: atoms too close: (T0321)C142.C and (T0321)S145.N only 0.000 apart, marking (T0321)C142.C as missing WARNING: atoms too close: (T0321)C142.O and (T0321)S145.N only 0.000 apart, marking (T0321)C142.O as missing WARNING: atoms too close: (T0321)C142.SG and (T0321)S145.N only 0.000 apart, marking (T0321)C142.SG as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)S145.N only 0.000 apart, marking (T0321)C142.CB as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)S145.N only 0.000 apart, marking (T0321)C142.CA as missing WARNING: atoms too close: (T0321)C142.N and (T0321)S145.N only 0.000 apart, marking (T0321)C142.N as missing WARNING: atoms too close: (T0321)I141.C and (T0321)S145.N only 0.000 apart, marking (T0321)I141.C as missing WARNING: atoms too close: (T0321)I141.O and (T0321)S145.N only 0.000 apart, marking (T0321)I141.O as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)S145.N only 0.000 apart, marking (T0321)I141.CD1 as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)S145.N only 0.000 apart, marking (T0321)I141.CG2 as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)S145.N only 0.000 apart, marking (T0321)I141.CG1 as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)S145.N only 0.000 apart, marking (T0321)I141.CB as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)S145.N only 0.000 apart, marking (T0321)I141.CA as missing WARNING: atoms too close: (T0321)I141.N and (T0321)S145.N only 0.000 apart, marking (T0321)I141.N as missing WARNING: atoms too close: (T0321)P140.C and (T0321)S145.N only 0.000 apart, marking (T0321)P140.C as missing WARNING: atoms too close: (T0321)P140.O and (T0321)S145.N only 0.000 apart, marking (T0321)P140.O as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)S145.N only 0.000 apart, marking (T0321)P140.CD as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)S145.N only 0.000 apart, marking (T0321)P140.CG as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)S145.N only 0.000 apart, marking (T0321)P140.CB as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)S145.N only 0.000 apart, marking (T0321)P140.CA as missing WARNING: atoms too close: (T0321)P140.N and (T0321)S145.N only 0.000 apart, marking (T0321)P140.N as missing WARNING: atoms too close: (T0321)E139.C and (T0321)S145.N only 0.000 apart, marking (T0321)E139.C as missing WARNING: atoms too close: (T0321)E139.O and (T0321)S145.N only 0.000 apart, marking (T0321)E139.O as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)S145.N only 0.000 apart, marking (T0321)E139.OE2 as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)S145.N only 0.000 apart, marking (T0321)E139.OE1 as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)S145.N only 0.000 apart, marking (T0321)E139.CD as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)S145.N only 0.000 apart, marking (T0321)E139.CG as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)S145.N only 0.000 apart, marking (T0321)E139.CB as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)S145.N only 0.000 apart, marking (T0321)E139.CA as missing WARNING: atoms too close: (T0321)E139.N and (T0321)S145.N only 0.000 apart, marking (T0321)E139.N as missing WARNING: atoms too close: (T0321)L138.C and (T0321)S145.N only 0.000 apart, marking (T0321)S145.N as missing WARNING: atoms too close: (T0321)S145.N and (T0321)S145.CA only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)L144.C and (T0321)S145.CA only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)L144.O and (T0321)S145.CA only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)L144.CD2 and (T0321)S145.CA only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)L144.CD1 and (T0321)S145.CA only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)L144.CG and (T0321)S145.CA only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)L144.CB and (T0321)S145.CA only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)L144.CA and (T0321)S145.CA only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)L144.N and (T0321)S145.CA only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)D143.C and (T0321)S145.CA only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)D143.O and (T0321)S145.CA only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)D143.OD2 and (T0321)S145.CA only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)D143.OD1 and (T0321)S145.CA only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)D143.CG and (T0321)S145.CA only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)D143.CB and (T0321)S145.CA only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)D143.CA and (T0321)S145.CA only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)D143.N and (T0321)S145.CA only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)C142.C and (T0321)S145.CA only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)C142.O and (T0321)S145.CA only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)C142.SG and (T0321)S145.CA only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)S145.CA only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)S145.CA only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)C142.N and (T0321)S145.CA only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)I141.C and (T0321)S145.CA only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)I141.O and (T0321)S145.CA only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)S145.CA only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)S145.CA only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)S145.CA only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)S145.CA only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)S145.CA only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)I141.N and (T0321)S145.CA only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)P140.C and (T0321)S145.CA only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)P140.O and (T0321)S145.CA only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)S145.CA only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)S145.CA only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)S145.CA only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)S145.CA only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)P140.N and (T0321)S145.CA only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)E139.C and (T0321)S145.CA only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)E139.O and (T0321)S145.CA only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)S145.CA only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)S145.CA only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)S145.CA only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)S145.CA only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)S145.CA only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)S145.CA only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)E139.N and (T0321)S145.CA only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)L138.C and (T0321)S145.CA only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)S145.CA and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)S145.N and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)L144.C and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)L144.O and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)L144.CD2 and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)L144.CD1 and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)L144.CG and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)L144.CB and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)L144.CA and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)L144.N and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)D143.C and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)D143.O and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)D143.OD2 and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)D143.OD1 and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)D143.CG and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)D143.CB and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)D143.CA and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)D143.N and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)C142.C and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)C142.O and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)C142.SG and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)C142.N and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)I141.C and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)I141.O and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)I141.N and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)P140.C and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)P140.O and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)P140.N and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)E139.C and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)E139.O and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)E139.N and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)L138.C and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)S145.CB and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)S145.CA and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)S145.N and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)L144.C and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)L144.O and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)L144.CD2 and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)L144.CD1 and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)L144.CG and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)L144.CB and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)L144.CA and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)L144.N and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)D143.C and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)D143.O and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)D143.OD2 and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)D143.OD1 and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)D143.CG and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)D143.CB and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)D143.CA and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)D143.N and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)C142.C and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)C142.O and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)C142.SG and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)C142.N and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)I141.C and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)I141.O and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)I141.N and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)P140.C and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)P140.O and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)P140.N and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)E139.C and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)E139.O and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)E139.N and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)L138.C and (T0321)S145.OG only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)S145.OG and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)S145.CB and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)S145.CA and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)S145.N and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)L144.C and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)L144.O and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)L144.CD2 and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)L144.CD1 and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)L144.CG and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)L144.CB and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)L144.CA and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)L144.N and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)D143.C and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)D143.O and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)D143.OD2 and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)D143.OD1 and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)D143.CG and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)D143.CB and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)D143.CA and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)D143.N and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)C142.C and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)C142.O and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)C142.SG and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)C142.N and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)I141.C and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)I141.O and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)I141.N and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)P140.C and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)P140.O and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)P140.N and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)E139.C and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)E139.O and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)E139.N and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)L138.C and (T0321)S145.O only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)S145.O and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)S145.OG and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)S145.CB and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)S145.CA and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)S145.N and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)L144.C and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)L144.O and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)L144.CD2 and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)L144.CD1 and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)L144.CG and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)L144.CB and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)L144.CA and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)L144.N and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)D143.C and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)D143.O and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)D143.OD2 and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)D143.OD1 and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)D143.CG and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)D143.CB and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)D143.CA and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)D143.N and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)C142.C and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)C142.O and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)C142.SG and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)C142.N and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)I141.C and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)I141.O and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)I141.N and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)P140.C and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)P140.O and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)P140.N and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)E139.C and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)E139.O and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)E139.N and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)L138.C and (T0321)S145.C only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)S145.C and (T0321)I146.N only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)S145.O and (T0321)I146.N only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)S145.OG and (T0321)I146.N only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)S145.CB and (T0321)I146.N only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)S145.CA and (T0321)I146.N only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)S145.N and (T0321)I146.N only 0.000 apart, marking (T0321)S145.N as missing WARNING: atoms too close: (T0321)L144.C and (T0321)I146.N only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)L144.O and (T0321)I146.N only 0.000 apart, marking (T0321)L144.O as missing WARNING: atoms too close: (T0321)L144.CD2 and (T0321)I146.N only 0.000 apart, marking (T0321)L144.CD2 as missing WARNING: atoms too close: (T0321)L144.CD1 and (T0321)I146.N only 0.000 apart, marking (T0321)L144.CD1 as missing WARNING: atoms too close: (T0321)L144.CG and (T0321)I146.N only 0.000 apart, marking (T0321)L144.CG as missing WARNING: atoms too close: (T0321)L144.CB and (T0321)I146.N only 0.000 apart, marking (T0321)L144.CB as missing WARNING: atoms too close: (T0321)L144.CA and (T0321)I146.N only 0.000 apart, marking (T0321)L144.CA as missing WARNING: atoms too close: (T0321)L144.N and (T0321)I146.N only 0.000 apart, marking (T0321)L144.N as missing WARNING: atoms too close: (T0321)D143.C and (T0321)I146.N only 0.000 apart, marking (T0321)D143.C as missing WARNING: atoms too close: (T0321)D143.O and (T0321)I146.N only 0.000 apart, marking (T0321)D143.O as missing WARNING: atoms too close: (T0321)D143.OD2 and (T0321)I146.N only 0.000 apart, marking (T0321)D143.OD2 as missing WARNING: atoms too close: (T0321)D143.OD1 and (T0321)I146.N only 0.000 apart, marking (T0321)D143.OD1 as missing WARNING: atoms too close: (T0321)D143.CG and (T0321)I146.N only 0.000 apart, marking (T0321)D143.CG as missing WARNING: atoms too close: (T0321)D143.CB and (T0321)I146.N only 0.000 apart, marking (T0321)D143.CB as missing WARNING: atoms too close: (T0321)D143.CA and (T0321)I146.N only 0.000 apart, marking (T0321)D143.CA as missing WARNING: atoms too close: (T0321)D143.N and (T0321)I146.N only 0.000 apart, marking (T0321)D143.N as missing WARNING: atoms too close: (T0321)C142.C and (T0321)I146.N only 0.000 apart, marking (T0321)C142.C as missing WARNING: atoms too close: (T0321)C142.O and (T0321)I146.N only 0.000 apart, marking (T0321)C142.O as missing WARNING: atoms too close: (T0321)C142.SG and (T0321)I146.N only 0.000 apart, marking (T0321)C142.SG as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)I146.N only 0.000 apart, marking (T0321)C142.CB as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)I146.N only 0.000 apart, marking (T0321)C142.CA as missing WARNING: atoms too close: (T0321)C142.N and (T0321)I146.N only 0.000 apart, marking (T0321)C142.N as missing WARNING: atoms too close: (T0321)I141.C and (T0321)I146.N only 0.000 apart, marking (T0321)I141.C as missing WARNING: atoms too close: (T0321)I141.O and (T0321)I146.N only 0.000 apart, marking (T0321)I141.O as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)I146.N only 0.000 apart, marking (T0321)I141.CD1 as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)I146.N only 0.000 apart, marking (T0321)I141.CG2 as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)I146.N only 0.000 apart, marking (T0321)I141.CG1 as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)I146.N only 0.000 apart, marking (T0321)I141.CB as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)I146.N only 0.000 apart, marking (T0321)I141.CA as missing WARNING: atoms too close: (T0321)I141.N and (T0321)I146.N only 0.000 apart, marking (T0321)I141.N as missing WARNING: atoms too close: (T0321)P140.C and (T0321)I146.N only 0.000 apart, marking (T0321)P140.C as missing WARNING: atoms too close: (T0321)P140.O and (T0321)I146.N only 0.000 apart, marking (T0321)P140.O as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)I146.N only 0.000 apart, marking (T0321)P140.CD as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)I146.N only 0.000 apart, marking (T0321)P140.CG as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)I146.N only 0.000 apart, marking (T0321)P140.CB as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)I146.N only 0.000 apart, marking (T0321)P140.CA as missing WARNING: atoms too close: (T0321)P140.N and (T0321)I146.N only 0.000 apart, marking (T0321)P140.N as missing WARNING: atoms too close: (T0321)E139.C and (T0321)I146.N only 0.000 apart, marking (T0321)E139.C as missing WARNING: atoms too close: (T0321)E139.O and (T0321)I146.N only 0.000 apart, marking (T0321)E139.O as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)I146.N only 0.000 apart, marking (T0321)E139.OE2 as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)I146.N only 0.000 apart, marking (T0321)E139.OE1 as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)I146.N only 0.000 apart, marking (T0321)E139.CD as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)I146.N only 0.000 apart, marking (T0321)E139.CG as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)I146.N only 0.000 apart, marking (T0321)E139.CB as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)I146.N only 0.000 apart, marking (T0321)E139.CA as missing WARNING: atoms too close: (T0321)E139.N and (T0321)I146.N only 0.000 apart, marking (T0321)E139.N as missing WARNING: atoms too close: (T0321)L138.C and (T0321)I146.N only 0.000 apart, marking (T0321)I146.N as missing WARNING: atoms too close: (T0321)I146.N and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)S145.C and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)S145.O and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)S145.OG and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)S145.CB and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)S145.CA and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)S145.N and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)L144.C and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)L144.O and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)L144.CD2 and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)L144.CD1 and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)L144.CG and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)L144.CB and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)L144.CA and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)L144.N and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)D143.C and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)D143.O and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)D143.OD2 and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)D143.OD1 and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)D143.CG and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)D143.CB and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)D143.CA and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)D143.N and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)C142.C and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)C142.O and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)C142.SG and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)C142.N and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)I141.C and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)I141.O and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)I141.N and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)P140.C and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)P140.O and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)P140.N and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)E139.C and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)E139.O and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)E139.N and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)L138.C and (T0321)I146.CA only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)I146.CA and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)I146.N and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)S145.C and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)S145.O and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)S145.OG and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)S145.CB and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)S145.CA and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)S145.N and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)L144.C and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)L144.O and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)L144.CD2 and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)L144.CD1 and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)L144.CG and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)L144.CB and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)L144.CA and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)L144.N and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)D143.C and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)D143.O and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)D143.OD2 and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)D143.OD1 and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)D143.CG and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)D143.CB and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)D143.CA and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)D143.N and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)C142.C and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)C142.O and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)C142.SG and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)C142.N and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)I141.C and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)I141.O and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)I141.N and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)P140.C and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)P140.O and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)P140.N and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)E139.C and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)E139.O and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)E139.N and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)L138.C and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)I146.CB and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)I146.CA and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)I146.N and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)S145.C and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)S145.O and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)S145.OG and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)S145.CB and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)S145.CA and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)S145.N and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)L144.C and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)L144.O and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)L144.CD2 and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)L144.CD1 and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)L144.CG and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)L144.CB and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)L144.CA and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)L144.N and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)D143.C and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)D143.O and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)D143.OD2 and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)D143.OD1 and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)D143.CG and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)D143.CB and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)D143.CA and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)D143.N and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)C142.C and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)C142.O and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)C142.SG and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)C142.N and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)I141.C and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)I141.O and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)I141.N and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)P140.C and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)P140.O and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)P140.N and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)E139.C and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)E139.O and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)E139.N and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)L138.C and (T0321)I146.CG1 only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)I146.CG1 and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)I146.CB and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)I146.CA and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)I146.N and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)S145.C and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)S145.O and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)S145.OG and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)S145.CB and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)S145.CA and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)S145.N and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)L144.C and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)L144.O and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)L144.CD2 and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)L144.CD1 and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)L144.CG and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)L144.CB and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)L144.CA and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)L144.N and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)D143.C and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)D143.O and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)D143.OD2 and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)D143.OD1 and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)D143.CG and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)D143.CB and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)D143.CA and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)D143.N and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)C142.C and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)C142.O and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)C142.SG and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)C142.N and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)I141.C and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)I141.O and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)I141.N and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)P140.C and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)P140.O and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)P140.N and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)E139.C and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)E139.O and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)E139.N and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)L138.C and (T0321)I146.CG2 only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)I146.CG2 and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)I146.CG1 and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)I146.CB and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)I146.CA and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)I146.N and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)S145.C and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)S145.O and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)S145.OG and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)S145.CB and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)S145.CA and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)S145.N and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)L144.C and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)L144.O and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)L144.CD2 and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)L144.CD1 and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)L144.CG and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)L144.CB and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)L144.CA and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)L144.N and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)D143.C and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)D143.O and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)D143.OD2 and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)D143.OD1 and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)D143.CG and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)D143.CB and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)D143.CA and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)D143.N and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)C142.C and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)C142.O and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)C142.SG and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)C142.N and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)I141.C and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)I141.O and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)I141.N and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)P140.C and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)P140.O and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)P140.N and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)E139.C and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)E139.O and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)E139.N and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)L138.C and (T0321)I146.CD1 only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)I146.CD1 and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)I146.CG2 and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)I146.CG1 and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)I146.CB and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)I146.CA and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)I146.N and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)S145.C and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)S145.O and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)S145.OG and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)S145.CB and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)S145.CA and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)S145.N and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)L144.C and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)L144.O and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)L144.CD2 and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)L144.CD1 and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)L144.CG and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)L144.CB and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)L144.CA and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)L144.N and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)D143.C and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)D143.O and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)D143.OD2 and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)D143.OD1 and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)D143.CG and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)D143.CB and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)D143.CA and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)D143.N and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)C142.C and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)C142.O and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)C142.SG and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)C142.N and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)I141.C and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)I141.O and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)I141.N and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)P140.C and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)P140.O and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)P140.N and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)E139.C and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)E139.O and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)E139.N and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)L138.C and (T0321)I146.O only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)I146.O and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)I146.CD1 and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)I146.CG2 and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)I146.CG1 and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)I146.CB and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)I146.CA and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)I146.N and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)S145.C and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)S145.O and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)S145.OG and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)S145.CB and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)S145.CA and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)S145.N and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)L144.C and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)L144.O and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)L144.CD2 and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)L144.CD1 and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)L144.CG and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)L144.CB and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)L144.CA and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)L144.N and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)D143.C and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)D143.O and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)D143.OD2 and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)D143.OD1 and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)D143.CG and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)D143.CB and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)D143.CA and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)D143.N and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)C142.C and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)C142.O and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)C142.SG and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)C142.N and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)I141.C and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)I141.O and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)I141.N and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)P140.C and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)P140.O and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)P140.N and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)E139.C and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)E139.O and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)E139.N and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)L138.C and (T0321)I146.C only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)I146.C and (T0321)L147.N only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)I146.O and (T0321)L147.N only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)I146.CD1 and (T0321)L147.N only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)I146.CG2 and (T0321)L147.N only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)I146.CG1 and (T0321)L147.N only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)I146.CB and (T0321)L147.N only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)I146.CA and (T0321)L147.N only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)I146.N and (T0321)L147.N only 0.000 apart, marking (T0321)I146.N as missing WARNING: atoms too close: (T0321)S145.C and (T0321)L147.N only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)S145.O and (T0321)L147.N only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)S145.OG and (T0321)L147.N only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)S145.CB and (T0321)L147.N only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)S145.CA and (T0321)L147.N only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)S145.N and (T0321)L147.N only 0.000 apart, marking (T0321)S145.N as missing WARNING: atoms too close: (T0321)L144.C and (T0321)L147.N only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)L144.O and (T0321)L147.N only 0.000 apart, marking (T0321)L144.O as missing WARNING: atoms too close: (T0321)L144.CD2 and (T0321)L147.N only 0.000 apart, marking (T0321)L144.CD2 as missing WARNING: atoms too close: (T0321)L144.CD1 and (T0321)L147.N only 0.000 apart, marking (T0321)L144.CD1 as missing WARNING: atoms too close: (T0321)L144.CG and (T0321)L147.N only 0.000 apart, marking (T0321)L144.CG as missing WARNING: atoms too close: (T0321)L144.CB and (T0321)L147.N only 0.000 apart, marking (T0321)L144.CB as missing WARNING: atoms too close: (T0321)L144.CA and (T0321)L147.N only 0.000 apart, marking (T0321)L144.CA as missing WARNING: atoms too close: (T0321)L144.N and (T0321)L147.N only 0.000 apart, marking (T0321)L144.N as missing WARNING: atoms too close: (T0321)D143.C and (T0321)L147.N only 0.000 apart, marking (T0321)D143.C as missing WARNING: atoms too close: (T0321)D143.O and (T0321)L147.N only 0.000 apart, marking (T0321)D143.O as missing WARNING: atoms too close: (T0321)D143.OD2 and (T0321)L147.N only 0.000 apart, marking (T0321)D143.OD2 as missing WARNING: atoms too close: (T0321)D143.OD1 and (T0321)L147.N only 0.000 apart, marking (T0321)D143.OD1 as missing WARNING: atoms too close: (T0321)D143.CG and (T0321)L147.N only 0.000 apart, marking (T0321)D143.CG as missing WARNING: atoms too close: (T0321)D143.CB and (T0321)L147.N only 0.000 apart, marking (T0321)D143.CB as missing WARNING: atoms too close: (T0321)D143.CA and (T0321)L147.N only 0.000 apart, marking (T0321)D143.CA as missing WARNING: atoms too close: (T0321)D143.N and (T0321)L147.N only 0.000 apart, marking (T0321)D143.N as missing WARNING: atoms too close: (T0321)C142.C and (T0321)L147.N only 0.000 apart, marking (T0321)C142.C as missing WARNING: atoms too close: (T0321)C142.O and (T0321)L147.N only 0.000 apart, marking (T0321)C142.O as missing WARNING: atoms too close: (T0321)C142.SG and (T0321)L147.N only 0.000 apart, marking (T0321)C142.SG as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)L147.N only 0.000 apart, marking (T0321)C142.CB as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)L147.N only 0.000 apart, marking (T0321)C142.CA as missing WARNING: atoms too close: (T0321)C142.N and (T0321)L147.N only 0.000 apart, marking (T0321)C142.N as missing WARNING: atoms too close: (T0321)I141.C and (T0321)L147.N only 0.000 apart, marking (T0321)I141.C as missing WARNING: atoms too close: (T0321)I141.O and (T0321)L147.N only 0.000 apart, marking (T0321)I141.O as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)L147.N only 0.000 apart, marking (T0321)I141.CD1 as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)L147.N only 0.000 apart, marking (T0321)I141.CG2 as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)L147.N only 0.000 apart, marking (T0321)I141.CG1 as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)L147.N only 0.000 apart, marking (T0321)I141.CB as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)L147.N only 0.000 apart, marking (T0321)I141.CA as missing WARNING: atoms too close: (T0321)I141.N and (T0321)L147.N only 0.000 apart, marking (T0321)I141.N as missing WARNING: atoms too close: (T0321)P140.C and (T0321)L147.N only 0.000 apart, marking (T0321)P140.C as missing WARNING: atoms too close: (T0321)P140.O and (T0321)L147.N only 0.000 apart, marking (T0321)P140.O as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)L147.N only 0.000 apart, marking (T0321)P140.CD as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)L147.N only 0.000 apart, marking (T0321)P140.CG as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)L147.N only 0.000 apart, marking (T0321)P140.CB as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)L147.N only 0.000 apart, marking (T0321)P140.CA as missing WARNING: atoms too close: (T0321)P140.N and (T0321)L147.N only 0.000 apart, marking (T0321)P140.N as missing WARNING: atoms too close: (T0321)E139.C and (T0321)L147.N only 0.000 apart, marking (T0321)E139.C as missing WARNING: atoms too close: (T0321)E139.O and (T0321)L147.N only 0.000 apart, marking (T0321)E139.O as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)L147.N only 0.000 apart, marking (T0321)E139.OE2 as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)L147.N only 0.000 apart, marking (T0321)E139.OE1 as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)L147.N only 0.000 apart, marking (T0321)E139.CD as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)L147.N only 0.000 apart, marking (T0321)E139.CG as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)L147.N only 0.000 apart, marking (T0321)E139.CB as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)L147.N only 0.000 apart, marking (T0321)E139.CA as missing WARNING: atoms too close: (T0321)E139.N and (T0321)L147.N only 0.000 apart, marking (T0321)E139.N as missing WARNING: atoms too close: (T0321)L138.C and (T0321)L147.N only 0.000 apart, marking (T0321)L147.N as missing WARNING: atoms too close: (T0321)L147.N and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)I146.C and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)I146.O and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)I146.CD1 and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)I146.CG2 and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)I146.CG1 and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)I146.CB and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)I146.CA and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)I146.N and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)S145.C and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)S145.O and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)S145.OG and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)S145.CB and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)S145.CA and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)S145.N and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)L144.C and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)L144.O and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)L144.CD2 and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)L144.CD1 and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)L144.CG and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)L144.CB and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)L144.CA and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)L144.N and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)D143.C and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)D143.O and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)D143.OD2 and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)D143.OD1 and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)D143.CG and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)D143.CB and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)D143.CA and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)D143.N and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)C142.C and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)C142.O and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)C142.SG and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)C142.N and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)I141.C and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)I141.O and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)I141.N and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)P140.C and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)P140.O and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)P140.N and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)E139.C and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)E139.O and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)E139.N and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)L138.C and (T0321)L147.CA only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)L147.CA and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)L147.N and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)I146.C and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)I146.O and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)I146.CD1 and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)I146.CG2 and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)I146.CG1 and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)I146.CB and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)I146.CA and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)I146.N and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)S145.C and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)S145.O and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)S145.OG and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)S145.CB and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)S145.CA and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)S145.N and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)L144.C and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)L144.O and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)L144.CD2 and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)L144.CD1 and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)L144.CG and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)L144.CB and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)L144.CA and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)L144.N and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)D143.C and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)D143.O and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)D143.OD2 and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)D143.OD1 and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)D143.CG and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)D143.CB and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)D143.CA and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)D143.N and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)C142.C and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)C142.O and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)C142.SG and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)C142.N and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)I141.C and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)I141.O and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)I141.N and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)P140.C and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)P140.O and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)P140.N and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)E139.C and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)E139.O and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)E139.N and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)L138.C and (T0321)L147.CB only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)L147.CB and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)L147.CA and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)L147.N and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)I146.C and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)I146.O and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)I146.CD1 and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)I146.CG2 and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)I146.CG1 and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)I146.CB and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)I146.CA and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)I146.N and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)S145.C and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)S145.O and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)S145.OG and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)S145.CB and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)S145.CA and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)S145.N and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)L144.C and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)L144.O and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)L144.CD2 and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)L144.CD1 and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)L144.CG and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)L144.CB and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)L144.CA and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)L144.N and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)D143.C and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)D143.O and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)D143.OD2 and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)D143.OD1 and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)D143.CG and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)D143.CB and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)D143.CA and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)D143.N and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)C142.C and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)C142.O and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)C142.SG and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)C142.N and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)I141.C and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)I141.O and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)I141.N and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)P140.C and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)P140.O and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)P140.N and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)E139.C and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)E139.O and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)E139.N and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)L138.C and (T0321)L147.CG only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)L147.CG and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)L147.CB and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)L147.CA and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)L147.N and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)I146.C and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)I146.O and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)I146.CD1 and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)I146.CG2 and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)I146.CG1 and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)I146.CB and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)I146.CA and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)I146.N and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)S145.C and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)S145.O and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)S145.OG and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)S145.CB and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)S145.CA and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)S145.N and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)L144.C and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)L144.O and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)L144.CD2 and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)L144.CD1 and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)L144.CG and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)L144.CB and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)L144.CA and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)L144.N and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)D143.C and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)D143.O and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)D143.OD2 and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)D143.OD1 and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)D143.CG and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)D143.CB and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)D143.CA and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)D143.N and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)C142.C and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)C142.O and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)C142.SG and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)C142.N and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)I141.C and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)I141.O and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)I141.N and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)P140.C and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)P140.O and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)P140.N and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)E139.C and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)E139.O and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)E139.N and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)L138.C and (T0321)L147.CD1 only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)L147.CD1 and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)L147.CG and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)L147.CB and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)L147.CA and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)L147.N and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)I146.C and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)I146.O and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)I146.CD1 and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)I146.CG2 and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)I146.CG1 and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)I146.CB and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)I146.CA and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)I146.N and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)S145.C and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)S145.O and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)S145.OG and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)S145.CB and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)S145.CA and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)S145.N and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)L144.C and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)L144.O and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)L144.CD2 and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)L144.CD1 and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)L144.CG and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)L144.CB and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)L144.CA and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)L144.N and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)D143.C and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)D143.O and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)D143.OD2 and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)D143.OD1 and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)D143.CG and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)D143.CB and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)D143.CA and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)D143.N and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)C142.C and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)C142.O and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)C142.SG and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)C142.N and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)I141.C and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)I141.O and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)I141.N and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)P140.C and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)P140.O and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)P140.N and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)E139.C and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)E139.O and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)E139.N and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)L138.C and (T0321)L147.CD2 only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)L147.CD2 and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)L147.CD1 and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)L147.CG and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)L147.CB and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)L147.CA and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)L147.N and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)I146.C and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)I146.O and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)I146.CD1 and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)I146.CG2 and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)I146.CG1 and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)I146.CB and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)I146.CA and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)I146.N and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)S145.C and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)S145.O and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)S145.OG and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)S145.CB and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)S145.CA and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)S145.N and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)L144.C and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)L144.O and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)L144.CD2 and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)L144.CD1 and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)L144.CG and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)L144.CB and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)L144.CA and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)L144.N and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)D143.C and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)D143.O and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)D143.OD2 and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)D143.OD1 and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)D143.CG and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)D143.CB and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)D143.CA and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)D143.N and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)C142.C and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)C142.O and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)C142.SG and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)C142.N and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)I141.C and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)I141.O and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)I141.N and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)P140.C and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)P140.O and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)P140.N and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)E139.C and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)E139.O and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)E139.N and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)L138.C and (T0321)L147.O only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)L147.O and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)L147.CD2 and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)L147.CD1 and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)L147.CG and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)L147.CB and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)L147.CA and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)L147.N and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)I146.C and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)I146.O and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)I146.CD1 and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)I146.CG2 and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)I146.CG1 and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)I146.CB and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)I146.CA and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)I146.N and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)S145.C and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)S145.O and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)S145.OG and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)S145.CB and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)S145.CA and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)S145.N and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)L144.C and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)L144.O and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)L144.CD2 and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)L144.CD1 and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)L144.CG and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)L144.CB and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)L144.CA and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)L144.N and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)D143.C and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)D143.O and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)D143.OD2 and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)D143.OD1 and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)D143.CG and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)D143.CB and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)D143.CA and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)D143.N and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)C142.C and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)C142.O and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)C142.SG and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)C142.N and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)I141.C and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)I141.O and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)I141.N and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)P140.C and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)P140.O and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)P140.N and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)E139.C and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)E139.O and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)E139.N and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)L138.C and (T0321)L147.C only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)L147.C and (T0321)E148.N only 0.000 apart, marking (T0321)L147.C as missing WARNING: atoms too close: (T0321)L147.O and (T0321)E148.N only 0.000 apart, marking (T0321)L147.O as missing WARNING: atoms too close: (T0321)L147.CD2 and (T0321)E148.N only 0.000 apart, marking (T0321)L147.CD2 as missing WARNING: atoms too close: (T0321)L147.CD1 and (T0321)E148.N only 0.000 apart, marking (T0321)L147.CD1 as missing WARNING: atoms too close: (T0321)L147.CG and (T0321)E148.N only 0.000 apart, marking (T0321)L147.CG as missing WARNING: atoms too close: (T0321)L147.CB and (T0321)E148.N only 0.000 apart, marking (T0321)L147.CB as missing WARNING: atoms too close: (T0321)L147.CA and (T0321)E148.N only 0.000 apart, marking (T0321)L147.CA as missing WARNING: atoms too close: (T0321)L147.N and (T0321)E148.N only 0.000 apart, marking (T0321)L147.N as missing WARNING: atoms too close: (T0321)I146.C and (T0321)E148.N only 0.000 apart, marking (T0321)I146.C as missing WARNING: atoms too close: (T0321)I146.O and (T0321)E148.N only 0.000 apart, marking (T0321)I146.O as missing WARNING: atoms too close: (T0321)I146.CD1 and (T0321)E148.N only 0.000 apart, marking (T0321)I146.CD1 as missing WARNING: atoms too close: (T0321)I146.CG2 and (T0321)E148.N only 0.000 apart, marking (T0321)I146.CG2 as missing WARNING: atoms too close: (T0321)I146.CG1 and (T0321)E148.N only 0.000 apart, marking (T0321)I146.CG1 as missing WARNING: atoms too close: (T0321)I146.CB and (T0321)E148.N only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)I146.CA and (T0321)E148.N only 0.000 apart, marking (T0321)I146.CA as missing WARNING: atoms too close: (T0321)I146.N and (T0321)E148.N only 0.000 apart, marking (T0321)I146.N as missing WARNING: atoms too close: (T0321)S145.C and (T0321)E148.N only 0.000 apart, marking (T0321)S145.C as missing WARNING: atoms too close: (T0321)S145.O and (T0321)E148.N only 0.000 apart, marking (T0321)S145.O as missing WARNING: atoms too close: (T0321)S145.OG and (T0321)E148.N only 0.000 apart, marking (T0321)S145.OG as missing WARNING: atoms too close: (T0321)S145.CB and (T0321)E148.N only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)S145.CA and (T0321)E148.N only 0.000 apart, marking (T0321)S145.CA as missing WARNING: atoms too close: (T0321)S145.N and (T0321)E148.N only 0.000 apart, marking (T0321)S145.N as missing WARNING: atoms too close: (T0321)L144.C and (T0321)E148.N only 0.000 apart, marking (T0321)L144.C as missing WARNING: atoms too close: (T0321)L144.O and (T0321)E148.N only 0.000 apart, marking (T0321)L144.O as missing WARNING: atoms too close: (T0321)L144.CD2 and (T0321)E148.N only 0.000 apart, marking (T0321)L144.CD2 as missing WARNING: atoms too close: (T0321)L144.CD1 and (T0321)E148.N only 0.000 apart, marking (T0321)L144.CD1 as missing WARNING: atoms too close: (T0321)L144.CG and (T0321)E148.N only 0.000 apart, marking (T0321)L144.CG as missing WARNING: atoms too close: (T0321)L144.CB and (T0321)E148.N only 0.000 apart, marking (T0321)L144.CB as missing WARNING: atoms too close: (T0321)L144.CA and (T0321)E148.N only 0.000 apart, marking (T0321)L144.CA as missing WARNING: atoms too close: (T0321)L144.N and (T0321)E148.N only 0.000 apart, marking (T0321)L144.N as missing WARNING: atoms too close: (T0321)D143.C and (T0321)E148.N only 0.000 apart, marking (T0321)D143.C as missing WARNING: atoms too close: (T0321)D143.O and (T0321)E148.N only 0.000 apart, marking (T0321)D143.O as missing WARNING: atoms too close: (T0321)D143.OD2 and (T0321)E148.N only 0.000 apart, marking (T0321)D143.OD2 as missing WARNING: atoms too close: (T0321)D143.OD1 and (T0321)E148.N only 0.000 apart, marking (T0321)D143.OD1 as missing WARNING: atoms too close: (T0321)D143.CG and (T0321)E148.N only 0.000 apart, marking (T0321)D143.CG as missing WARNING: atoms too close: (T0321)D143.CB and (T0321)E148.N only 0.000 apart, marking (T0321)D143.CB as missing WARNING: atoms too close: (T0321)D143.CA and (T0321)E148.N only 0.000 apart, marking (T0321)D143.CA as missing WARNING: atoms too close: (T0321)D143.N and (T0321)E148.N only 0.000 apart, marking (T0321)D143.N as missing WARNING: atoms too close: (T0321)C142.C and (T0321)E148.N only 0.000 apart, marking (T0321)C142.C as missing WARNING: atoms too close: (T0321)C142.O and (T0321)E148.N only 0.000 apart, marking (T0321)C142.O as missing WARNING: atoms too close: (T0321)C142.SG and (T0321)E148.N only 0.000 apart, marking (T0321)C142.SG as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)E148.N only 0.000 apart, marking (T0321)C142.CB as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)E148.N only 0.000 apart, marking (T0321)C142.CA as missing WARNING: atoms too close: (T0321)C142.N and (T0321)E148.N only 0.000 apart, marking (T0321)C142.N as missing WARNING: atoms too close: (T0321)I141.C and (T0321)E148.N only 0.000 apart, marking (T0321)I141.C as missing WARNING: atoms too close: (T0321)I141.O and (T0321)E148.N only 0.000 apart, marking (T0321)I141.O as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)E148.N only 0.000 apart, marking (T0321)I141.CD1 as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)E148.N only 0.000 apart, marking (T0321)I141.CG2 as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)E148.N only 0.000 apart, marking (T0321)I141.CG1 as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)E148.N only 0.000 apart, marking (T0321)I141.CB as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)E148.N only 0.000 apart, marking (T0321)I141.CA as missing WARNING: atoms too close: (T0321)I141.N and (T0321)E148.N only 0.000 apart, marking (T0321)I141.N as missing WARNING: atoms too close: (T0321)P140.C and (T0321)E148.N only 0.000 apart, marking (T0321)P140.C as missing WARNING: atoms too close: (T0321)P140.O and (T0321)E148.N only 0.000 apart, marking (T0321)P140.O as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)E148.N only 0.000 apart, marking (T0321)P140.CD as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)E148.N only 0.000 apart, marking (T0321)P140.CG as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)E148.N only 0.000 apart, marking (T0321)P140.CB as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)E148.N only 0.000 apart, marking (T0321)P140.CA as missing WARNING: atoms too close: (T0321)P140.N and (T0321)E148.N only 0.000 apart, marking (T0321)P140.N as missing WARNING: atoms too close: (T0321)E139.C and (T0321)E148.N only 0.000 apart, marking (T0321)E139.C as missing WARNING: atoms too close: (T0321)E139.O and (T0321)E148.N only 0.000 apart, marking (T0321)E139.O as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)E148.N only 0.000 apart, marking (T0321)E139.OE2 as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)E148.N only 0.000 apart, marking (T0321)E139.OE1 as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)E148.N only 0.000 apart, marking (T0321)E139.CD as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)E148.N only 0.000 apart, marking (T0321)E139.CG as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)E148.N only 0.000 apart, marking (T0321)E139.CB as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)E148.N only 0.000 apart, marking (T0321)E139.CA as missing WARNING: atoms too close: (T0321)E139.N and (T0321)E148.N only 0.000 apart, marking (T0321)E139.N as missing WARNING: atoms too close: (T0321)L138.C and (T0321)E148.N only 0.000 apart, marking (T0321)E148.N as missing WARNING: atoms too close: (T0321)E148.N and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)L147.C and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)L147.O and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)L147.CD2 and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)L147.CD1 and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)L147.CG and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)L147.CB and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)L147.CA and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)L147.N and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)I146.C and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)I146.O and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)I146.CD1 and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)I146.CG2 and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)I146.CG1 and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)I146.CB and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)I146.CA and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)I146.N and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)S145.C and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)S145.O and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)S145.OG and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)S145.CB and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)S145.CA and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)S145.N and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)L144.C and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)L144.O and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)L144.CD2 and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)L144.CD1 and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)L144.CG and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)L144.CB and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)L144.CA and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)L144.N and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)D143.C and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)D143.O and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)D143.OD2 and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)D143.OD1 and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)D143.CG and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)D143.CB and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)D143.CA and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)D143.N and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)C142.C and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)C142.O and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)C142.SG and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)C142.N and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)I141.C and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)I141.O and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)I141.N and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)P140.C and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)P140.O and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)P140.N and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)E139.C and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)E139.O and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)E139.N and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)L138.C and (T0321)E148.CA only 0.000 apart, marking (T0321)E148.CA as missing WARNING: atoms too close: (T0321)E148.CA and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)E148.N and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)L147.C and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)L147.O and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)L147.CD2 and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)L147.CD1 and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)L147.CG and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)L147.CB and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)L147.CA and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)L147.N and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)I146.C and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)I146.O and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)I146.CD1 and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)I146.CG2 and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)I146.CG1 and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)I146.CB and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)I146.CA and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)I146.N and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)S145.C and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)S145.O and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)S145.OG and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)S145.CB and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)S145.CA and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)S145.N and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)L144.C and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)L144.O and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)L144.CD2 and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)L144.CD1 and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)L144.CG and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)L144.CB and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)L144.CA and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)L144.N and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)D143.C and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)D143.O and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)D143.OD2 and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)D143.OD1 and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)D143.CG and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)D143.CB and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)D143.CA and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)D143.N and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)C142.C and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)C142.O and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)C142.SG and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)C142.N and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)I141.C and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)I141.O and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)I141.N and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)P140.C and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)P140.O and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)P140.N and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)E139.C and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)E139.O and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)E139.N and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)L138.C and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)E148.CB and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)E148.CA and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)E148.N and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)L147.C and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)L147.O and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)L147.CD2 and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)L147.CD1 and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)L147.CG and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)L147.CB and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)L147.CA and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)L147.N and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)I146.C and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)I146.O and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)I146.CD1 and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)I146.CG2 and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)I146.CG1 and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)I146.CB and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)I146.CA and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)I146.N and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)S145.C and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)S145.O and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)S145.OG and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)S145.CB and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)S145.CA and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)S145.N and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)L144.C and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)L144.O and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)L144.CD2 and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)L144.CD1 and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)L144.CG and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)L144.CB and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)L144.CA and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)L144.N and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)D143.C and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)D143.O and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)D143.OD2 and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)D143.OD1 and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)D143.CG and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)D143.CB and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)D143.CA and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)D143.N and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)C142.C and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)C142.O and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)C142.SG and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)C142.N and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)I141.C and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)I141.O and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)I141.N and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)P140.C and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)P140.O and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)P140.N and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)E139.C and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)E139.O and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)E139.N and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)L138.C and (T0321)E148.CG only 0.000 apart, marking (T0321)E148.CG as missing WARNING: atoms too close: (T0321)E148.CG and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)E148.CB and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)E148.CA and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)E148.N and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)L147.C and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)L147.O and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)L147.CD2 and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)L147.CD1 and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)L147.CG and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)L147.CB and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)L147.CA and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)L147.N and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)I146.C and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)I146.O and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)I146.CD1 and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)I146.CG2 and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)I146.CG1 and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)I146.CB and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)I146.CA and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)I146.N and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)S145.C and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)S145.O and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)S145.OG and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)S145.CB and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)S145.CA and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)S145.N and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)L144.C and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)L144.O and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)L144.CD2 and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)L144.CD1 and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)L144.CG and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)L144.CB and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)L144.CA and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)L144.N and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)D143.C and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)D143.O and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)D143.OD2 and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)D143.OD1 and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)D143.CG and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)D143.CB and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)D143.CA and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)D143.N and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)C142.C and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)C142.O and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)C142.SG and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)C142.N and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)I141.C and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)I141.O and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)I141.N and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)P140.C and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)P140.O and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)P140.N and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)E139.C and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)E139.O and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)E139.N and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)L138.C and (T0321)E148.CD only 0.000 apart, marking (T0321)E148.CD as missing WARNING: atoms too close: (T0321)E148.CD and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)E148.CG and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)E148.CB and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)E148.CA and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)E148.N and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)L147.C and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)L147.O and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)L147.CD2 and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)L147.CD1 and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)L147.CG and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)L147.CB and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)L147.CA and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)L147.N and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)I146.C and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)I146.O and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)I146.CD1 and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)I146.CG2 and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)I146.CG1 and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)I146.CB and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)I146.CA and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)I146.N and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)S145.C and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)S145.O and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)S145.OG and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)S145.CB and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)S145.CA and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)S145.N and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)L144.C and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)L144.O and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)L144.CD2 and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)L144.CD1 and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)L144.CG and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)L144.CB and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)L144.CA and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)L144.N and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)D143.C and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)D143.O and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)D143.OD2 and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)D143.OD1 and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)D143.CG and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)D143.CB and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)D143.CA and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)D143.N and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)C142.C and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)C142.O and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)C142.SG and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)C142.N and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)I141.C and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)I141.O and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)I141.N and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)P140.C and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)P140.O and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)P140.N and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)E139.C and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)E139.O and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)E139.N and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)L138.C and (T0321)E148.OE1 only 0.000 apart, marking (T0321)E148.OE1 as missing WARNING: atoms too close: (T0321)E148.OE1 and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)E148.CD and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)E148.CG and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)E148.CB and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)E148.CA and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)E148.N and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)L147.C and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)L147.O and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)L147.CD2 and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)L147.CD1 and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)L147.CG and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)L147.CB and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)L147.CA and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)L147.N and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)I146.C and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)I146.O and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)I146.CD1 and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)I146.CG2 and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)I146.CG1 and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)I146.CB and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)I146.CA and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)I146.N and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)S145.C and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)S145.O and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)S145.OG and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)S145.CB and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)S145.CA and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)S145.N and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)L144.C and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)L144.O and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)L144.CD2 and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)L144.CD1 and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)L144.CG and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)L144.CB and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)L144.CA and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)L144.N and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)D143.C and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)D143.O and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)D143.OD2 and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)D143.OD1 and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)D143.CG and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)D143.CB and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)D143.CA and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)D143.N and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)C142.C and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)C142.O and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)C142.SG and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)C142.N and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)I141.C and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)I141.O and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)I141.N and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)P140.C and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)P140.O and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)P140.N and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)E139.C and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)E139.O and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)E139.N and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)L138.C and (T0321)E148.OE2 only 0.000 apart, marking (T0321)E148.OE2 as missing WARNING: atoms too close: (T0321)E148.OE2 and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)E148.OE1 and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)E148.CD and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)E148.CG and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)E148.CB and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)E148.CA and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)E148.N and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)L147.C and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)L147.O and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)L147.CD2 and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)L147.CD1 and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)L147.CG and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)L147.CB and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)L147.CA and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)L147.N and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)I146.C and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)I146.O and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)I146.CD1 and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)I146.CG2 and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)I146.CG1 and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)I146.CB and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)I146.CA and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)I146.N and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)S145.C and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)S145.O and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)S145.OG and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)S145.CB and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)S145.CA and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)S145.N and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)L144.C and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)L144.O and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)L144.CD2 and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)L144.CD1 and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)L144.CG and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)L144.CB and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)L144.CA and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)L144.N and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)D143.C and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)D143.O and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)D143.OD2 and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)D143.OD1 and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)D143.CG and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)D143.CB and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)D143.CA and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)D143.N and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)C142.C and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)C142.O and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)C142.SG and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)C142.N and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)I141.C and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)I141.O and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)I141.N and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)P140.C and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)P140.O and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)P140.N and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)E139.C and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)E139.O and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)E139.N and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)L138.C and (T0321)E148.O only 0.000 apart, marking (T0321)E148.O as missing WARNING: atoms too close: (T0321)E148.O and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)E148.OE2 and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)E148.OE1 and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)E148.CD and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)E148.CG and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)E148.CB and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)E148.CA and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)E148.N and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)L147.C and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)L147.O and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)L147.CD2 and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)L147.CD1 and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)L147.CG and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)L147.CB and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)L147.CA and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)L147.N and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)I146.C and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)I146.O and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)I146.CD1 and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)I146.CG2 and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)I146.CG1 and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)I146.CB and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)I146.CA and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)I146.N and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)S145.C and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)S145.O and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)S145.OG and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)S145.CB and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)S145.CA and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)S145.N and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)L144.C and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)L144.O and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)L144.CD2 and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)L144.CD1 and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)L144.CG and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)L144.CB and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)L144.CA and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)L144.N and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)D143.C and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)D143.O and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)D143.OD2 and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)D143.OD1 and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)D143.CG and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)D143.CB and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)D143.CA and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)D143.N and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)C142.C and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)C142.O and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)C142.SG and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)C142.CB and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)C142.CA and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)C142.N and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)I141.C and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)I141.O and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)I141.CD1 and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)I141.CG2 and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)I141.CG1 and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)I141.CB and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)I141.CA and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)I141.N and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)P140.C and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)P140.O and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)P140.CD and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)P140.CG and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)P140.CB and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)P140.N and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)E139.C and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)E139.O and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)E139.OE2 and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)E139.OE1 and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)E139.CD and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)E139.CG and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)E139.CB and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)E139.N and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing WARNING: atoms too close: (T0321)L138.C and (T0321)E148.C only 0.000 apart, marking (T0321)E148.C as missing # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_372398601.pdb -s /var/tmp/to_scwrl_372398601.seq -o /var/tmp/from_scwrl_372398601.pdb > /var/tmp/scwrl_372398601.log sh: /var/tmp/scwrl_372398601.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_372398601.pdb or /var/tmp/from_scwrl_372398601.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_372398601_b.pdb or decoys//var/tmp/from_scwrl_372398601_b.pdb.gz for input Trying /var/tmp/from_scwrl_372398601_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_372398601_b.pdb or /var/tmp/from_scwrl_372398601_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_372398601_a.pdb or decoys//var/tmp/from_scwrl_372398601_a.pdb.gz for input Trying /var/tmp/from_scwrl_372398601_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_372398601_a.pdb or /var/tmp/from_scwrl_372398601_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_372398601.pdb or /var/tmp/from_scwrl_372398601_b.pdb or /var/tmp/from_scwrl_372398601_a.pdb Error: no new SCWRL conformation added # naming current conformation CaspIta-FOX_TS3-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1601180975.pdb -s /var/tmp/to_scwrl_1601180975.seq -o /var/tmp/from_scwrl_1601180975.pdb > /var/tmp/scwrl_1601180975.log sh: /var/tmp/scwrl_1601180975.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1601180975.pdb or /var/tmp/from_scwrl_1601180975.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1601180975_b.pdb or decoys//var/tmp/from_scwrl_1601180975_b.pdb.gz for input Trying /var/tmp/from_scwrl_1601180975_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1601180975_b.pdb or /var/tmp/from_scwrl_1601180975_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1601180975_a.pdb or decoys//var/tmp/from_scwrl_1601180975_a.pdb.gz for input Trying /var/tmp/from_scwrl_1601180975_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1601180975_a.pdb or /var/tmp/from_scwrl_1601180975_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1601180975.pdb or /var/tmp/from_scwrl_1601180975_b.pdb or /var/tmp/from_scwrl_1601180975_a.pdb Error: no new SCWRL conformation added # naming current conformation CaspIta-FOX_TS4-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1287082217.pdb -s /var/tmp/to_scwrl_1287082217.seq -o /var/tmp/from_scwrl_1287082217.pdb > /var/tmp/scwrl_1287082217.log sh: /var/tmp/scwrl_1287082217.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1287082217.pdb or /var/tmp/from_scwrl_1287082217.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1287082217_b.pdb or decoys//var/tmp/from_scwrl_1287082217_b.pdb.gz for input Trying /var/tmp/from_scwrl_1287082217_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1287082217_b.pdb or /var/tmp/from_scwrl_1287082217_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1287082217_a.pdb or decoys//var/tmp/from_scwrl_1287082217_a.pdb.gz for input Trying /var/tmp/from_scwrl_1287082217_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1287082217_a.pdb or /var/tmp/from_scwrl_1287082217_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1287082217.pdb or /var/tmp/from_scwrl_1287082217_b.pdb or /var/tmp/from_scwrl_1287082217_a.pdb Error: no new SCWRL conformation added # naming current conformation CaspIta-FOX_TS5-scwrl # ReadConformPDB reading from PDB file servers/Distill_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1676648385.pdb -s /var/tmp/to_scwrl_1676648385.seq -o /var/tmp/from_scwrl_1676648385.pdb > /var/tmp/scwrl_1676648385.log sh: /var/tmp/scwrl_1676648385.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1676648385.pdb or /var/tmp/from_scwrl_1676648385.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1676648385_b.pdb or decoys//var/tmp/from_scwrl_1676648385_b.pdb.gz for input Trying /var/tmp/from_scwrl_1676648385_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1676648385_b.pdb or /var/tmp/from_scwrl_1676648385_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1676648385_a.pdb or decoys//var/tmp/from_scwrl_1676648385_a.pdb.gz for input Trying /var/tmp/from_scwrl_1676648385_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1676648385_a.pdb or /var/tmp/from_scwrl_1676648385_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1676648385.pdb or /var/tmp/from_scwrl_1676648385_b.pdb or /var/tmp/from_scwrl_1676648385_a.pdb Error: no new SCWRL conformation added # naming current conformation Distill_TS1-scwrl # ReadConformPDB reading from PDB file servers/Distill_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_856099997.pdb -s /var/tmp/to_scwrl_856099997.seq -o /var/tmp/from_scwrl_856099997.pdb > /var/tmp/scwrl_856099997.log sh: /var/tmp/scwrl_856099997.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_856099997.pdb or /var/tmp/from_scwrl_856099997.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_856099997_b.pdb or decoys//var/tmp/from_scwrl_856099997_b.pdb.gz for input Trying /var/tmp/from_scwrl_856099997_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_856099997_b.pdb or /var/tmp/from_scwrl_856099997_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_856099997_a.pdb or decoys//var/tmp/from_scwrl_856099997_a.pdb.gz for input Trying /var/tmp/from_scwrl_856099997_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_856099997_a.pdb or /var/tmp/from_scwrl_856099997_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_856099997.pdb or /var/tmp/from_scwrl_856099997_b.pdb or /var/tmp/from_scwrl_856099997_a.pdb Error: no new SCWRL conformation added # naming current conformation Distill_TS2-scwrl # ReadConformPDB reading from PDB file servers/Distill_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_872603339.pdb -s /var/tmp/to_scwrl_872603339.seq -o /var/tmp/from_scwrl_872603339.pdb > /var/tmp/scwrl_872603339.log sh: /var/tmp/scwrl_872603339.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_872603339.pdb or /var/tmp/from_scwrl_872603339.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_872603339_b.pdb or decoys//var/tmp/from_scwrl_872603339_b.pdb.gz for input Trying /var/tmp/from_scwrl_872603339_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_872603339_b.pdb or /var/tmp/from_scwrl_872603339_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_872603339_a.pdb or decoys//var/tmp/from_scwrl_872603339_a.pdb.gz for input Trying /var/tmp/from_scwrl_872603339_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_872603339_a.pdb or /var/tmp/from_scwrl_872603339_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_872603339.pdb or /var/tmp/from_scwrl_872603339_b.pdb or /var/tmp/from_scwrl_872603339_a.pdb Error: no new SCWRL conformation added # naming current conformation Distill_TS3-scwrl # ReadConformPDB reading from PDB file servers/Distill_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_70935338.pdb -s /var/tmp/to_scwrl_70935338.seq -o /var/tmp/from_scwrl_70935338.pdb > /var/tmp/scwrl_70935338.log sh: /var/tmp/scwrl_70935338.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_70935338.pdb or /var/tmp/from_scwrl_70935338.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_70935338_b.pdb or decoys//var/tmp/from_scwrl_70935338_b.pdb.gz for input Trying /var/tmp/from_scwrl_70935338_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_70935338_b.pdb or /var/tmp/from_scwrl_70935338_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_70935338_a.pdb or decoys//var/tmp/from_scwrl_70935338_a.pdb.gz for input Trying /var/tmp/from_scwrl_70935338_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_70935338_a.pdb or /var/tmp/from_scwrl_70935338_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_70935338.pdb or /var/tmp/from_scwrl_70935338_b.pdb or /var/tmp/from_scwrl_70935338_a.pdb Error: no new SCWRL conformation added # naming current conformation Distill_TS4-scwrl # ReadConformPDB reading from PDB file servers/Distill_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1457429794.pdb -s /var/tmp/to_scwrl_1457429794.seq -o /var/tmp/from_scwrl_1457429794.pdb > /var/tmp/scwrl_1457429794.log sh: /var/tmp/scwrl_1457429794.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1457429794.pdb or /var/tmp/from_scwrl_1457429794.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1457429794_b.pdb or decoys//var/tmp/from_scwrl_1457429794_b.pdb.gz for input Trying /var/tmp/from_scwrl_1457429794_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1457429794_b.pdb or /var/tmp/from_scwrl_1457429794_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1457429794_a.pdb or decoys//var/tmp/from_scwrl_1457429794_a.pdb.gz for input Trying /var/tmp/from_scwrl_1457429794_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1457429794_a.pdb or /var/tmp/from_scwrl_1457429794_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1457429794.pdb or /var/tmp/from_scwrl_1457429794_b.pdb or /var/tmp/from_scwrl_1457429794_a.pdb Error: no new SCWRL conformation added # naming current conformation Distill_TS5-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS1.pdb.gz looking for model 1 # Found a chain break before 248 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1261040696.pdb -s /var/tmp/to_scwrl_1261040696.seq -o /var/tmp/from_scwrl_1261040696.pdb > /var/tmp/scwrl_1261040696.log sh: /var/tmp/scwrl_1261040696.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1261040696.pdb or /var/tmp/from_scwrl_1261040696.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1261040696_b.pdb or decoys//var/tmp/from_scwrl_1261040696_b.pdb.gz for input Trying /var/tmp/from_scwrl_1261040696_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1261040696_b.pdb or /var/tmp/from_scwrl_1261040696_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1261040696_a.pdb or decoys//var/tmp/from_scwrl_1261040696_a.pdb.gz for input Trying /var/tmp/from_scwrl_1261040696_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1261040696_a.pdb or /var/tmp/from_scwrl_1261040696_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1261040696.pdb or /var/tmp/from_scwrl_1261040696_b.pdb or /var/tmp/from_scwrl_1261040696_a.pdb Error: no new SCWRL conformation added # naming current conformation FAMSD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1042414810.pdb -s /var/tmp/to_scwrl_1042414810.seq -o /var/tmp/from_scwrl_1042414810.pdb > /var/tmp/scwrl_1042414810.log sh: /var/tmp/scwrl_1042414810.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1042414810.pdb or /var/tmp/from_scwrl_1042414810.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1042414810_b.pdb or decoys//var/tmp/from_scwrl_1042414810_b.pdb.gz for input Trying /var/tmp/from_scwrl_1042414810_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1042414810_b.pdb or /var/tmp/from_scwrl_1042414810_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1042414810_a.pdb or decoys//var/tmp/from_scwrl_1042414810_a.pdb.gz for input Trying /var/tmp/from_scwrl_1042414810_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1042414810_a.pdb or /var/tmp/from_scwrl_1042414810_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1042414810.pdb or /var/tmp/from_scwrl_1042414810_b.pdb or /var/tmp/from_scwrl_1042414810_a.pdb Error: no new SCWRL conformation added # naming current conformation FAMSD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # Found a chain break before 249 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1177338207.pdb -s /var/tmp/to_scwrl_1177338207.seq -o /var/tmp/from_scwrl_1177338207.pdb > /var/tmp/scwrl_1177338207.log sh: /var/tmp/scwrl_1177338207.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1177338207.pdb or /var/tmp/from_scwrl_1177338207.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1177338207_b.pdb or decoys//var/tmp/from_scwrl_1177338207_b.pdb.gz for input Trying /var/tmp/from_scwrl_1177338207_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1177338207_b.pdb or /var/tmp/from_scwrl_1177338207_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1177338207_a.pdb or decoys//var/tmp/from_scwrl_1177338207_a.pdb.gz for input Trying /var/tmp/from_scwrl_1177338207_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1177338207_a.pdb or /var/tmp/from_scwrl_1177338207_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1177338207.pdb or /var/tmp/from_scwrl_1177338207_b.pdb or /var/tmp/from_scwrl_1177338207_a.pdb Error: no new SCWRL conformation added # naming current conformation FAMSD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_15642253.pdb -s /var/tmp/to_scwrl_15642253.seq -o /var/tmp/from_scwrl_15642253.pdb > /var/tmp/scwrl_15642253.log sh: /var/tmp/scwrl_15642253.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_15642253.pdb or /var/tmp/from_scwrl_15642253.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_15642253_b.pdb or decoys//var/tmp/from_scwrl_15642253_b.pdb.gz for input Trying /var/tmp/from_scwrl_15642253_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_15642253_b.pdb or /var/tmp/from_scwrl_15642253_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_15642253_a.pdb or decoys//var/tmp/from_scwrl_15642253_a.pdb.gz for input Trying /var/tmp/from_scwrl_15642253_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_15642253_a.pdb or /var/tmp/from_scwrl_15642253_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_15642253.pdb or /var/tmp/from_scwrl_15642253_b.pdb or /var/tmp/from_scwrl_15642253_a.pdb Error: no new SCWRL conformation added # naming current conformation FAMSD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # Found a chain break before 249 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1197412824.pdb -s /var/tmp/to_scwrl_1197412824.seq -o /var/tmp/from_scwrl_1197412824.pdb > /var/tmp/scwrl_1197412824.log sh: /var/tmp/scwrl_1197412824.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1197412824.pdb or /var/tmp/from_scwrl_1197412824.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1197412824_b.pdb or decoys//var/tmp/from_scwrl_1197412824_b.pdb.gz for input Trying /var/tmp/from_scwrl_1197412824_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1197412824_b.pdb or /var/tmp/from_scwrl_1197412824_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1197412824_a.pdb or decoys//var/tmp/from_scwrl_1197412824_a.pdb.gz for input Trying /var/tmp/from_scwrl_1197412824_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1197412824_a.pdb or /var/tmp/from_scwrl_1197412824_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1197412824.pdb or /var/tmp/from_scwrl_1197412824_b.pdb or /var/tmp/from_scwrl_1197412824_a.pdb Error: no new SCWRL conformation added # naming current conformation FAMSD_TS5-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS1.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_532372254.pdb -s /var/tmp/to_scwrl_532372254.seq -o /var/tmp/from_scwrl_532372254.pdb > /var/tmp/scwrl_532372254.log sh: /var/tmp/scwrl_532372254.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_532372254.pdb or /var/tmp/from_scwrl_532372254.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_532372254_b.pdb or decoys//var/tmp/from_scwrl_532372254_b.pdb.gz for input Trying /var/tmp/from_scwrl_532372254_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_532372254_b.pdb or /var/tmp/from_scwrl_532372254_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_532372254_a.pdb or decoys//var/tmp/from_scwrl_532372254_a.pdb.gz for input Trying /var/tmp/from_scwrl_532372254_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_532372254_a.pdb or /var/tmp/from_scwrl_532372254_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_532372254.pdb or /var/tmp/from_scwrl_532372254_b.pdb or /var/tmp/from_scwrl_532372254_a.pdb Error: no new SCWRL conformation added # naming current conformation FAMS_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1729121107.pdb -s /var/tmp/to_scwrl_1729121107.seq -o /var/tmp/from_scwrl_1729121107.pdb > /var/tmp/scwrl_1729121107.log sh: /var/tmp/scwrl_1729121107.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1729121107.pdb or /var/tmp/from_scwrl_1729121107.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1729121107_b.pdb or decoys//var/tmp/from_scwrl_1729121107_b.pdb.gz for input Trying /var/tmp/from_scwrl_1729121107_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1729121107_b.pdb or /var/tmp/from_scwrl_1729121107_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1729121107_a.pdb or decoys//var/tmp/from_scwrl_1729121107_a.pdb.gz for input Trying /var/tmp/from_scwrl_1729121107_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1729121107_a.pdb or /var/tmp/from_scwrl_1729121107_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1729121107.pdb or /var/tmp/from_scwrl_1729121107_b.pdb or /var/tmp/from_scwrl_1729121107_a.pdb Error: no new SCWRL conformation added # naming current conformation FAMS_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1554728739.pdb -s /var/tmp/to_scwrl_1554728739.seq -o /var/tmp/from_scwrl_1554728739.pdb > /var/tmp/scwrl_1554728739.log sh: /var/tmp/scwrl_1554728739.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1554728739.pdb or /var/tmp/from_scwrl_1554728739.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1554728739_b.pdb or decoys//var/tmp/from_scwrl_1554728739_b.pdb.gz for input Trying /var/tmp/from_scwrl_1554728739_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1554728739_b.pdb or /var/tmp/from_scwrl_1554728739_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1554728739_a.pdb or decoys//var/tmp/from_scwrl_1554728739_a.pdb.gz for input Trying /var/tmp/from_scwrl_1554728739_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1554728739_a.pdb or /var/tmp/from_scwrl_1554728739_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1554728739.pdb or /var/tmp/from_scwrl_1554728739_b.pdb or /var/tmp/from_scwrl_1554728739_a.pdb Error: no new SCWRL conformation added # naming current conformation FAMS_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_870823068.pdb -s /var/tmp/to_scwrl_870823068.seq -o /var/tmp/from_scwrl_870823068.pdb > /var/tmp/scwrl_870823068.log sh: /var/tmp/scwrl_870823068.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_870823068.pdb or /var/tmp/from_scwrl_870823068.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_870823068_b.pdb or decoys//var/tmp/from_scwrl_870823068_b.pdb.gz for input Trying /var/tmp/from_scwrl_870823068_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_870823068_b.pdb or /var/tmp/from_scwrl_870823068_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_870823068_a.pdb or decoys//var/tmp/from_scwrl_870823068_a.pdb.gz for input Trying /var/tmp/from_scwrl_870823068_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_870823068_a.pdb or /var/tmp/from_scwrl_870823068_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_870823068.pdb or /var/tmp/from_scwrl_870823068_b.pdb or /var/tmp/from_scwrl_870823068_a.pdb Error: no new SCWRL conformation added # naming current conformation FAMS_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1033353463.pdb -s /var/tmp/to_scwrl_1033353463.seq -o /var/tmp/from_scwrl_1033353463.pdb > /var/tmp/scwrl_1033353463.log sh: /var/tmp/scwrl_1033353463.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1033353463.pdb or /var/tmp/from_scwrl_1033353463.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1033353463_b.pdb or decoys//var/tmp/from_scwrl_1033353463_b.pdb.gz for input Trying /var/tmp/from_scwrl_1033353463_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1033353463_b.pdb or /var/tmp/from_scwrl_1033353463_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1033353463_a.pdb or decoys//var/tmp/from_scwrl_1033353463_a.pdb.gz for input Trying /var/tmp/from_scwrl_1033353463_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1033353463_a.pdb or /var/tmp/from_scwrl_1033353463_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1033353463.pdb or /var/tmp/from_scwrl_1033353463_b.pdb or /var/tmp/from_scwrl_1033353463_a.pdb Error: no new SCWRL conformation added # naming current conformation FAMS_TS5-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS1.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_230368978.pdb -s /var/tmp/to_scwrl_230368978.seq -o /var/tmp/from_scwrl_230368978.pdb > /var/tmp/scwrl_230368978.log sh: /var/tmp/scwrl_230368978.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_230368978.pdb or /var/tmp/from_scwrl_230368978.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_230368978_b.pdb or decoys//var/tmp/from_scwrl_230368978_b.pdb.gz for input Trying /var/tmp/from_scwrl_230368978_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_230368978_b.pdb or /var/tmp/from_scwrl_230368978_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_230368978_a.pdb or decoys//var/tmp/from_scwrl_230368978_a.pdb.gz for input Trying /var/tmp/from_scwrl_230368978_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_230368978_a.pdb or /var/tmp/from_scwrl_230368978_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_230368978.pdb or /var/tmp/from_scwrl_230368978_b.pdb or /var/tmp/from_scwrl_230368978_a.pdb Error: no new SCWRL conformation added # naming current conformation FOLDpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS2.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_218810690.pdb -s /var/tmp/to_scwrl_218810690.seq -o /var/tmp/from_scwrl_218810690.pdb > /var/tmp/scwrl_218810690.log sh: /var/tmp/scwrl_218810690.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_218810690.pdb or /var/tmp/from_scwrl_218810690.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_218810690_b.pdb or decoys//var/tmp/from_scwrl_218810690_b.pdb.gz for input Trying /var/tmp/from_scwrl_218810690_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_218810690_b.pdb or /var/tmp/from_scwrl_218810690_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_218810690_a.pdb or decoys//var/tmp/from_scwrl_218810690_a.pdb.gz for input Trying /var/tmp/from_scwrl_218810690_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_218810690_a.pdb or /var/tmp/from_scwrl_218810690_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_218810690.pdb or /var/tmp/from_scwrl_218810690_b.pdb or /var/tmp/from_scwrl_218810690_a.pdb Error: no new SCWRL conformation added # naming current conformation FOLDpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS3.pdb.gz looking for model 1 # Found a chain break before 204 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1476935459.pdb -s /var/tmp/to_scwrl_1476935459.seq -o /var/tmp/from_scwrl_1476935459.pdb > /var/tmp/scwrl_1476935459.log sh: /var/tmp/scwrl_1476935459.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1476935459.pdb or /var/tmp/from_scwrl_1476935459.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1476935459_b.pdb or decoys//var/tmp/from_scwrl_1476935459_b.pdb.gz for input Trying /var/tmp/from_scwrl_1476935459_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1476935459_b.pdb or /var/tmp/from_scwrl_1476935459_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1476935459_a.pdb or decoys//var/tmp/from_scwrl_1476935459_a.pdb.gz for input Trying /var/tmp/from_scwrl_1476935459_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1476935459_a.pdb or /var/tmp/from_scwrl_1476935459_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1476935459.pdb or /var/tmp/from_scwrl_1476935459_b.pdb or /var/tmp/from_scwrl_1476935459_a.pdb Error: no new SCWRL conformation added # naming current conformation FOLDpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS4.pdb.gz looking for model 1 # Found a chain break before 240 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1775058944.pdb -s /var/tmp/to_scwrl_1775058944.seq -o /var/tmp/from_scwrl_1775058944.pdb > /var/tmp/scwrl_1775058944.log sh: /var/tmp/scwrl_1775058944.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1775058944.pdb or /var/tmp/from_scwrl_1775058944.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1775058944_b.pdb or decoys//var/tmp/from_scwrl_1775058944_b.pdb.gz for input Trying /var/tmp/from_scwrl_1775058944_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1775058944_b.pdb or /var/tmp/from_scwrl_1775058944_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1775058944_a.pdb or decoys//var/tmp/from_scwrl_1775058944_a.pdb.gz for input Trying /var/tmp/from_scwrl_1775058944_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1775058944_a.pdb or /var/tmp/from_scwrl_1775058944_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1775058944.pdb or /var/tmp/from_scwrl_1775058944_b.pdb or /var/tmp/from_scwrl_1775058944_a.pdb Error: no new SCWRL conformation added # naming current conformation FOLDpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS5.pdb.gz looking for model 1 # Found a chain break before 240 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_444459980.pdb -s /var/tmp/to_scwrl_444459980.seq -o /var/tmp/from_scwrl_444459980.pdb > /var/tmp/scwrl_444459980.log sh: /var/tmp/scwrl_444459980.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_444459980.pdb or /var/tmp/from_scwrl_444459980.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_444459980_b.pdb or decoys//var/tmp/from_scwrl_444459980_b.pdb.gz for input Trying /var/tmp/from_scwrl_444459980_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_444459980_b.pdb or /var/tmp/from_scwrl_444459980_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_444459980_a.pdb or decoys//var/tmp/from_scwrl_444459980_a.pdb.gz for input Trying /var/tmp/from_scwrl_444459980_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_444459980_a.pdb or /var/tmp/from_scwrl_444459980_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_444459980.pdb or /var/tmp/from_scwrl_444459980_b.pdb or /var/tmp/from_scwrl_444459980_a.pdb Error: no new SCWRL conformation added # naming current conformation FOLDpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_330423213.pdb -s /var/tmp/to_scwrl_330423213.seq -o /var/tmp/from_scwrl_330423213.pdb > /var/tmp/scwrl_330423213.log sh: /var/tmp/scwrl_330423213.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_330423213.pdb or /var/tmp/from_scwrl_330423213.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_330423213_b.pdb or decoys//var/tmp/from_scwrl_330423213_b.pdb.gz for input Trying /var/tmp/from_scwrl_330423213_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_330423213_b.pdb or /var/tmp/from_scwrl_330423213_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_330423213_a.pdb or decoys//var/tmp/from_scwrl_330423213_a.pdb.gz for input Trying /var/tmp/from_scwrl_330423213_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_330423213_a.pdb or /var/tmp/from_scwrl_330423213_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_330423213.pdb or /var/tmp/from_scwrl_330423213_b.pdb or /var/tmp/from_scwrl_330423213_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE1_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1773787183.pdb -s /var/tmp/to_scwrl_1773787183.seq -o /var/tmp/from_scwrl_1773787183.pdb > /var/tmp/scwrl_1773787183.log sh: /var/tmp/scwrl_1773787183.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1773787183.pdb or /var/tmp/from_scwrl_1773787183.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1773787183_b.pdb or decoys//var/tmp/from_scwrl_1773787183_b.pdb.gz for input Trying /var/tmp/from_scwrl_1773787183_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1773787183_b.pdb or /var/tmp/from_scwrl_1773787183_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1773787183_a.pdb or decoys//var/tmp/from_scwrl_1773787183_a.pdb.gz for input Trying /var/tmp/from_scwrl_1773787183_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1773787183_a.pdb or /var/tmp/from_scwrl_1773787183_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1773787183.pdb or /var/tmp/from_scwrl_1773787183_b.pdb or /var/tmp/from_scwrl_1773787183_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE1_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_807639559.pdb -s /var/tmp/to_scwrl_807639559.seq -o /var/tmp/from_scwrl_807639559.pdb > /var/tmp/scwrl_807639559.log sh: /var/tmp/scwrl_807639559.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_807639559.pdb or /var/tmp/from_scwrl_807639559.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_807639559_b.pdb or decoys//var/tmp/from_scwrl_807639559_b.pdb.gz for input Trying /var/tmp/from_scwrl_807639559_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_807639559_b.pdb or /var/tmp/from_scwrl_807639559_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_807639559_a.pdb or decoys//var/tmp/from_scwrl_807639559_a.pdb.gz for input Trying /var/tmp/from_scwrl_807639559_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_807639559_a.pdb or /var/tmp/from_scwrl_807639559_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_807639559.pdb or /var/tmp/from_scwrl_807639559_b.pdb or /var/tmp/from_scwrl_807639559_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE1_AL3-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1460664415.pdb -s /var/tmp/to_scwrl_1460664415.seq -o /var/tmp/from_scwrl_1460664415.pdb > /var/tmp/scwrl_1460664415.log sh: /var/tmp/scwrl_1460664415.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1460664415.pdb or /var/tmp/from_scwrl_1460664415.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1460664415_b.pdb or decoys//var/tmp/from_scwrl_1460664415_b.pdb.gz for input Trying /var/tmp/from_scwrl_1460664415_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1460664415_b.pdb or /var/tmp/from_scwrl_1460664415_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1460664415_a.pdb or decoys//var/tmp/from_scwrl_1460664415_a.pdb.gz for input Trying /var/tmp/from_scwrl_1460664415_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1460664415_a.pdb or /var/tmp/from_scwrl_1460664415_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1460664415.pdb or /var/tmp/from_scwrl_1460664415_b.pdb or /var/tmp/from_scwrl_1460664415_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE1_AL4-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1253348771.pdb -s /var/tmp/to_scwrl_1253348771.seq -o /var/tmp/from_scwrl_1253348771.pdb > /var/tmp/scwrl_1253348771.log sh: /var/tmp/scwrl_1253348771.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1253348771.pdb or /var/tmp/from_scwrl_1253348771.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1253348771_b.pdb or decoys//var/tmp/from_scwrl_1253348771_b.pdb.gz for input Trying /var/tmp/from_scwrl_1253348771_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1253348771_b.pdb or /var/tmp/from_scwrl_1253348771_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1253348771_a.pdb or decoys//var/tmp/from_scwrl_1253348771_a.pdb.gz for input Trying /var/tmp/from_scwrl_1253348771_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1253348771_a.pdb or /var/tmp/from_scwrl_1253348771_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1253348771.pdb or /var/tmp/from_scwrl_1253348771_b.pdb or /var/tmp/from_scwrl_1253348771_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE1_AL5-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_479416310.pdb -s /var/tmp/to_scwrl_479416310.seq -o /var/tmp/from_scwrl_479416310.pdb > /var/tmp/scwrl_479416310.log sh: /var/tmp/scwrl_479416310.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_479416310.pdb or /var/tmp/from_scwrl_479416310.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_479416310_b.pdb or decoys//var/tmp/from_scwrl_479416310_b.pdb.gz for input Trying /var/tmp/from_scwrl_479416310_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_479416310_b.pdb or /var/tmp/from_scwrl_479416310_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_479416310_a.pdb or decoys//var/tmp/from_scwrl_479416310_a.pdb.gz for input Trying /var/tmp/from_scwrl_479416310_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_479416310_a.pdb or /var/tmp/from_scwrl_479416310_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_479416310.pdb or /var/tmp/from_scwrl_479416310_b.pdb or /var/tmp/from_scwrl_479416310_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE2_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_483224527.pdb -s /var/tmp/to_scwrl_483224527.seq -o /var/tmp/from_scwrl_483224527.pdb > /var/tmp/scwrl_483224527.log sh: /var/tmp/scwrl_483224527.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_483224527.pdb or /var/tmp/from_scwrl_483224527.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_483224527_b.pdb or decoys//var/tmp/from_scwrl_483224527_b.pdb.gz for input Trying /var/tmp/from_scwrl_483224527_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_483224527_b.pdb or /var/tmp/from_scwrl_483224527_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_483224527_a.pdb or decoys//var/tmp/from_scwrl_483224527_a.pdb.gz for input Trying /var/tmp/from_scwrl_483224527_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_483224527_a.pdb or /var/tmp/from_scwrl_483224527_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_483224527.pdb or /var/tmp/from_scwrl_483224527_b.pdb or /var/tmp/from_scwrl_483224527_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE2_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_604608993.pdb -s /var/tmp/to_scwrl_604608993.seq -o /var/tmp/from_scwrl_604608993.pdb > /var/tmp/scwrl_604608993.log sh: /var/tmp/scwrl_604608993.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_604608993.pdb or /var/tmp/from_scwrl_604608993.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_604608993_b.pdb or decoys//var/tmp/from_scwrl_604608993_b.pdb.gz for input Trying /var/tmp/from_scwrl_604608993_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_604608993_b.pdb or /var/tmp/from_scwrl_604608993_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_604608993_a.pdb or decoys//var/tmp/from_scwrl_604608993_a.pdb.gz for input Trying /var/tmp/from_scwrl_604608993_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_604608993_a.pdb or /var/tmp/from_scwrl_604608993_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_604608993.pdb or /var/tmp/from_scwrl_604608993_b.pdb or /var/tmp/from_scwrl_604608993_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE2_AL3-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_851814912.pdb -s /var/tmp/to_scwrl_851814912.seq -o /var/tmp/from_scwrl_851814912.pdb > /var/tmp/scwrl_851814912.log sh: /var/tmp/scwrl_851814912.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_851814912.pdb or /var/tmp/from_scwrl_851814912.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_851814912_b.pdb or decoys//var/tmp/from_scwrl_851814912_b.pdb.gz for input Trying /var/tmp/from_scwrl_851814912_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_851814912_b.pdb or /var/tmp/from_scwrl_851814912_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_851814912_a.pdb or decoys//var/tmp/from_scwrl_851814912_a.pdb.gz for input Trying /var/tmp/from_scwrl_851814912_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_851814912_a.pdb or /var/tmp/from_scwrl_851814912_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_851814912.pdb or /var/tmp/from_scwrl_851814912_b.pdb or /var/tmp/from_scwrl_851814912_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE2_AL4-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_2084405502.pdb -s /var/tmp/to_scwrl_2084405502.seq -o /var/tmp/from_scwrl_2084405502.pdb > /var/tmp/scwrl_2084405502.log sh: /var/tmp/scwrl_2084405502.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2084405502.pdb or /var/tmp/from_scwrl_2084405502.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2084405502_b.pdb or decoys//var/tmp/from_scwrl_2084405502_b.pdb.gz for input Trying /var/tmp/from_scwrl_2084405502_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2084405502_b.pdb or /var/tmp/from_scwrl_2084405502_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2084405502_a.pdb or decoys//var/tmp/from_scwrl_2084405502_a.pdb.gz for input Trying /var/tmp/from_scwrl_2084405502_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2084405502_a.pdb or /var/tmp/from_scwrl_2084405502_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2084405502.pdb or /var/tmp/from_scwrl_2084405502_b.pdb or /var/tmp/from_scwrl_2084405502_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE2_AL5-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS1.pdb.gz looking for model 1 # Found a chain break before 249 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1891691210.pdb -s /var/tmp/to_scwrl_1891691210.seq -o /var/tmp/from_scwrl_1891691210.pdb > /var/tmp/scwrl_1891691210.log sh: /var/tmp/scwrl_1891691210.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1891691210.pdb or /var/tmp/from_scwrl_1891691210.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1891691210_b.pdb or decoys//var/tmp/from_scwrl_1891691210_b.pdb.gz for input Trying /var/tmp/from_scwrl_1891691210_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1891691210_b.pdb or /var/tmp/from_scwrl_1891691210_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1891691210_a.pdb or decoys//var/tmp/from_scwrl_1891691210_a.pdb.gz for input Trying /var/tmp/from_scwrl_1891691210_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1891691210_a.pdb or /var/tmp/from_scwrl_1891691210_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1891691210.pdb or /var/tmp/from_scwrl_1891691210_b.pdb or /var/tmp/from_scwrl_1891691210_a.pdb Error: no new SCWRL conformation added # naming current conformation FPSOLVER-SERVER_TS1-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS2.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_380979650.pdb -s /var/tmp/to_scwrl_380979650.seq -o /var/tmp/from_scwrl_380979650.pdb > /var/tmp/scwrl_380979650.log sh: /var/tmp/scwrl_380979650.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_380979650.pdb or /var/tmp/from_scwrl_380979650.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_380979650_b.pdb or decoys//var/tmp/from_scwrl_380979650_b.pdb.gz for input Trying /var/tmp/from_scwrl_380979650_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_380979650_b.pdb or /var/tmp/from_scwrl_380979650_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_380979650_a.pdb or decoys//var/tmp/from_scwrl_380979650_a.pdb.gz for input Trying /var/tmp/from_scwrl_380979650_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_380979650_a.pdb or /var/tmp/from_scwrl_380979650_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_380979650.pdb or /var/tmp/from_scwrl_380979650_b.pdb or /var/tmp/from_scwrl_380979650_a.pdb Error: no new SCWRL conformation added # naming current conformation FPSOLVER-SERVER_TS2-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS3.pdb.gz looking for model 1 # Found a chain break before 241 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_793021853.pdb -s /var/tmp/to_scwrl_793021853.seq -o /var/tmp/from_scwrl_793021853.pdb > /var/tmp/scwrl_793021853.log sh: /var/tmp/scwrl_793021853.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_793021853.pdb or /var/tmp/from_scwrl_793021853.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_793021853_b.pdb or decoys//var/tmp/from_scwrl_793021853_b.pdb.gz for input Trying /var/tmp/from_scwrl_793021853_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_793021853_b.pdb or /var/tmp/from_scwrl_793021853_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_793021853_a.pdb or decoys//var/tmp/from_scwrl_793021853_a.pdb.gz for input Trying /var/tmp/from_scwrl_793021853_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_793021853_a.pdb or /var/tmp/from_scwrl_793021853_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_793021853.pdb or /var/tmp/from_scwrl_793021853_b.pdb or /var/tmp/from_scwrl_793021853_a.pdb Error: no new SCWRL conformation added # naming current conformation FPSOLVER-SERVER_TS3-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS4.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_616810903.pdb -s /var/tmp/to_scwrl_616810903.seq -o /var/tmp/from_scwrl_616810903.pdb > /var/tmp/scwrl_616810903.log sh: /var/tmp/scwrl_616810903.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_616810903.pdb or /var/tmp/from_scwrl_616810903.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_616810903_b.pdb or decoys//var/tmp/from_scwrl_616810903_b.pdb.gz for input Trying /var/tmp/from_scwrl_616810903_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_616810903_b.pdb or /var/tmp/from_scwrl_616810903_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_616810903_a.pdb or decoys//var/tmp/from_scwrl_616810903_a.pdb.gz for input Trying /var/tmp/from_scwrl_616810903_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_616810903_a.pdb or /var/tmp/from_scwrl_616810903_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_616810903.pdb or /var/tmp/from_scwrl_616810903_b.pdb or /var/tmp/from_scwrl_616810903_a.pdb Error: no new SCWRL conformation added # naming current conformation FPSOLVER-SERVER_TS4-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS5.pdb.gz looking for model 1 # Found a chain break before 233 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_451914988.pdb -s /var/tmp/to_scwrl_451914988.seq -o /var/tmp/from_scwrl_451914988.pdb > /var/tmp/scwrl_451914988.log sh: /var/tmp/scwrl_451914988.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_451914988.pdb or /var/tmp/from_scwrl_451914988.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_451914988_b.pdb or decoys//var/tmp/from_scwrl_451914988_b.pdb.gz for input Trying /var/tmp/from_scwrl_451914988_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_451914988_b.pdb or /var/tmp/from_scwrl_451914988_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_451914988_a.pdb or decoys//var/tmp/from_scwrl_451914988_a.pdb.gz for input Trying /var/tmp/from_scwrl_451914988_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_451914988_a.pdb or /var/tmp/from_scwrl_451914988_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_451914988.pdb or /var/tmp/from_scwrl_451914988_b.pdb or /var/tmp/from_scwrl_451914988_a.pdb Error: no new SCWRL conformation added # naming current conformation FPSOLVER-SERVER_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_102968000.pdb -s /var/tmp/to_scwrl_102968000.seq -o /var/tmp/from_scwrl_102968000.pdb > /var/tmp/scwrl_102968000.log sh: /var/tmp/scwrl_102968000.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_102968000.pdb or /var/tmp/from_scwrl_102968000.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_102968000_b.pdb or decoys//var/tmp/from_scwrl_102968000_b.pdb.gz for input Trying /var/tmp/from_scwrl_102968000_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_102968000_b.pdb or /var/tmp/from_scwrl_102968000_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_102968000_a.pdb or decoys//var/tmp/from_scwrl_102968000_a.pdb.gz for input Trying /var/tmp/from_scwrl_102968000_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_102968000_a.pdb or /var/tmp/from_scwrl_102968000_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_102968000.pdb or /var/tmp/from_scwrl_102968000_b.pdb or /var/tmp/from_scwrl_102968000_a.pdb Error: no new SCWRL conformation added # naming current conformation FUGMOD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1877851599.pdb -s /var/tmp/to_scwrl_1877851599.seq -o /var/tmp/from_scwrl_1877851599.pdb > /var/tmp/scwrl_1877851599.log sh: /var/tmp/scwrl_1877851599.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1877851599.pdb or /var/tmp/from_scwrl_1877851599.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1877851599_b.pdb or decoys//var/tmp/from_scwrl_1877851599_b.pdb.gz for input Trying /var/tmp/from_scwrl_1877851599_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1877851599_b.pdb or /var/tmp/from_scwrl_1877851599_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1877851599_a.pdb or decoys//var/tmp/from_scwrl_1877851599_a.pdb.gz for input Trying /var/tmp/from_scwrl_1877851599_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1877851599_a.pdb or /var/tmp/from_scwrl_1877851599_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1877851599.pdb or /var/tmp/from_scwrl_1877851599_b.pdb or /var/tmp/from_scwrl_1877851599_a.pdb Error: no new SCWRL conformation added # naming current conformation FUGMOD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1494329797.pdb -s /var/tmp/to_scwrl_1494329797.seq -o /var/tmp/from_scwrl_1494329797.pdb > /var/tmp/scwrl_1494329797.log sh: /var/tmp/scwrl_1494329797.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1494329797.pdb or /var/tmp/from_scwrl_1494329797.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1494329797_b.pdb or decoys//var/tmp/from_scwrl_1494329797_b.pdb.gz for input Trying /var/tmp/from_scwrl_1494329797_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1494329797_b.pdb or /var/tmp/from_scwrl_1494329797_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1494329797_a.pdb or decoys//var/tmp/from_scwrl_1494329797_a.pdb.gz for input Trying /var/tmp/from_scwrl_1494329797_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1494329797_a.pdb or /var/tmp/from_scwrl_1494329797_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1494329797.pdb or /var/tmp/from_scwrl_1494329797_b.pdb or /var/tmp/from_scwrl_1494329797_a.pdb Error: no new SCWRL conformation added # naming current conformation FUGMOD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # Found a chain break before 248 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1280306208.pdb -s /var/tmp/to_scwrl_1280306208.seq -o /var/tmp/from_scwrl_1280306208.pdb > /var/tmp/scwrl_1280306208.log sh: /var/tmp/scwrl_1280306208.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1280306208.pdb or /var/tmp/from_scwrl_1280306208.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1280306208_b.pdb or decoys//var/tmp/from_scwrl_1280306208_b.pdb.gz for input Trying /var/tmp/from_scwrl_1280306208_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1280306208_b.pdb or /var/tmp/from_scwrl_1280306208_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1280306208_a.pdb or decoys//var/tmp/from_scwrl_1280306208_a.pdb.gz for input Trying /var/tmp/from_scwrl_1280306208_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1280306208_a.pdb or /var/tmp/from_scwrl_1280306208_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1280306208.pdb or /var/tmp/from_scwrl_1280306208_b.pdb or /var/tmp/from_scwrl_1280306208_a.pdb Error: no new SCWRL conformation added # naming current conformation FUGMOD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # Found a chain break before 12 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1893493852.pdb -s /var/tmp/to_scwrl_1893493852.seq -o /var/tmp/from_scwrl_1893493852.pdb > /var/tmp/scwrl_1893493852.log sh: /var/tmp/scwrl_1893493852.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1893493852.pdb or /var/tmp/from_scwrl_1893493852.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1893493852_b.pdb or decoys//var/tmp/from_scwrl_1893493852_b.pdb.gz for input Trying /var/tmp/from_scwrl_1893493852_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1893493852_b.pdb or /var/tmp/from_scwrl_1893493852_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1893493852_a.pdb or decoys//var/tmp/from_scwrl_1893493852_a.pdb.gz for input Trying /var/tmp/from_scwrl_1893493852_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1893493852_a.pdb or /var/tmp/from_scwrl_1893493852_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1893493852.pdb or /var/tmp/from_scwrl_1893493852_b.pdb or /var/tmp/from_scwrl_1893493852_a.pdb Error: no new SCWRL conformation added # naming current conformation FUGMOD_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_544258976.pdb -s /var/tmp/to_scwrl_544258976.seq -o /var/tmp/from_scwrl_544258976.pdb > /var/tmp/scwrl_544258976.log sh: /var/tmp/scwrl_544258976.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_544258976.pdb or /var/tmp/from_scwrl_544258976.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_544258976_b.pdb or decoys//var/tmp/from_scwrl_544258976_b.pdb.gz for input Trying /var/tmp/from_scwrl_544258976_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_544258976_b.pdb or /var/tmp/from_scwrl_544258976_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_544258976_a.pdb or decoys//var/tmp/from_scwrl_544258976_a.pdb.gz for input Trying /var/tmp/from_scwrl_544258976_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_544258976_a.pdb or /var/tmp/from_scwrl_544258976_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_544258976.pdb or /var/tmp/from_scwrl_544258976_b.pdb or /var/tmp/from_scwrl_544258976_a.pdb Error: no new SCWRL conformation added # naming current conformation FUGUE_AL1-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1812678462.pdb -s /var/tmp/to_scwrl_1812678462.seq -o /var/tmp/from_scwrl_1812678462.pdb > /var/tmp/scwrl_1812678462.log sh: /var/tmp/scwrl_1812678462.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1812678462.pdb or /var/tmp/from_scwrl_1812678462.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1812678462_b.pdb or decoys//var/tmp/from_scwrl_1812678462_b.pdb.gz for input Trying /var/tmp/from_scwrl_1812678462_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1812678462_b.pdb or /var/tmp/from_scwrl_1812678462_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1812678462_a.pdb or decoys//var/tmp/from_scwrl_1812678462_a.pdb.gz for input Trying /var/tmp/from_scwrl_1812678462_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1812678462_a.pdb or /var/tmp/from_scwrl_1812678462_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1812678462.pdb or /var/tmp/from_scwrl_1812678462_b.pdb or /var/tmp/from_scwrl_1812678462_a.pdb Error: no new SCWRL conformation added # naming current conformation FUGUE_AL2-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1475131312.pdb -s /var/tmp/to_scwrl_1475131312.seq -o /var/tmp/from_scwrl_1475131312.pdb > /var/tmp/scwrl_1475131312.log sh: /var/tmp/scwrl_1475131312.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1475131312.pdb or /var/tmp/from_scwrl_1475131312.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1475131312_b.pdb or decoys//var/tmp/from_scwrl_1475131312_b.pdb.gz for input Trying /var/tmp/from_scwrl_1475131312_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1475131312_b.pdb or /var/tmp/from_scwrl_1475131312_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1475131312_a.pdb or decoys//var/tmp/from_scwrl_1475131312_a.pdb.gz for input Trying /var/tmp/from_scwrl_1475131312_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1475131312_a.pdb or /var/tmp/from_scwrl_1475131312_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1475131312.pdb or /var/tmp/from_scwrl_1475131312_b.pdb or /var/tmp/from_scwrl_1475131312_a.pdb Error: no new SCWRL conformation added # naming current conformation FUGUE_AL3-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_2098987715.pdb -s /var/tmp/to_scwrl_2098987715.seq -o /var/tmp/from_scwrl_2098987715.pdb > /var/tmp/scwrl_2098987715.log sh: /var/tmp/scwrl_2098987715.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2098987715.pdb or /var/tmp/from_scwrl_2098987715.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2098987715_b.pdb or decoys//var/tmp/from_scwrl_2098987715_b.pdb.gz for input Trying /var/tmp/from_scwrl_2098987715_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2098987715_b.pdb or /var/tmp/from_scwrl_2098987715_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2098987715_a.pdb or decoys//var/tmp/from_scwrl_2098987715_a.pdb.gz for input Trying /var/tmp/from_scwrl_2098987715_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2098987715_a.pdb or /var/tmp/from_scwrl_2098987715_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2098987715.pdb or /var/tmp/from_scwrl_2098987715_b.pdb or /var/tmp/from_scwrl_2098987715_a.pdb Error: no new SCWRL conformation added # naming current conformation FUGUE_AL4-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_536017883.pdb -s /var/tmp/to_scwrl_536017883.seq -o /var/tmp/from_scwrl_536017883.pdb > /var/tmp/scwrl_536017883.log sh: /var/tmp/scwrl_536017883.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_536017883.pdb or /var/tmp/from_scwrl_536017883.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_536017883_b.pdb or decoys//var/tmp/from_scwrl_536017883_b.pdb.gz for input Trying /var/tmp/from_scwrl_536017883_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_536017883_b.pdb or /var/tmp/from_scwrl_536017883_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_536017883_a.pdb or decoys//var/tmp/from_scwrl_536017883_a.pdb.gz for input Trying /var/tmp/from_scwrl_536017883_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_536017883_a.pdb or /var/tmp/from_scwrl_536017883_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_536017883.pdb or /var/tmp/from_scwrl_536017883_b.pdb or /var/tmp/from_scwrl_536017883_a.pdb Error: no new SCWRL conformation added # naming current conformation FUGUE_AL5-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # Found a chain break before 244 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_361001128.pdb -s /var/tmp/to_scwrl_361001128.seq -o /var/tmp/from_scwrl_361001128.pdb > /var/tmp/scwrl_361001128.log sh: /var/tmp/scwrl_361001128.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_361001128.pdb or /var/tmp/from_scwrl_361001128.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_361001128_b.pdb or decoys//var/tmp/from_scwrl_361001128_b.pdb.gz for input Trying /var/tmp/from_scwrl_361001128_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_361001128_b.pdb or /var/tmp/from_scwrl_361001128_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_361001128_a.pdb or decoys//var/tmp/from_scwrl_361001128_a.pdb.gz for input Trying /var/tmp/from_scwrl_361001128_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_361001128_a.pdb or /var/tmp/from_scwrl_361001128_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_361001128.pdb or /var/tmp/from_scwrl_361001128_b.pdb or /var/tmp/from_scwrl_361001128_a.pdb Error: no new SCWRL conformation added # naming current conformation FUNCTION_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS2.pdb.gz looking for model 1 # Found a chain break before 248 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_181873046.pdb -s /var/tmp/to_scwrl_181873046.seq -o /var/tmp/from_scwrl_181873046.pdb > /var/tmp/scwrl_181873046.log sh: /var/tmp/scwrl_181873046.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_181873046.pdb or /var/tmp/from_scwrl_181873046.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_181873046_b.pdb or decoys//var/tmp/from_scwrl_181873046_b.pdb.gz for input Trying /var/tmp/from_scwrl_181873046_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_181873046_b.pdb or /var/tmp/from_scwrl_181873046_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_181873046_a.pdb or decoys//var/tmp/from_scwrl_181873046_a.pdb.gz for input Trying /var/tmp/from_scwrl_181873046_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_181873046_a.pdb or /var/tmp/from_scwrl_181873046_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_181873046.pdb or /var/tmp/from_scwrl_181873046_b.pdb or /var/tmp/from_scwrl_181873046_a.pdb Error: no new SCWRL conformation added # naming current conformation FUNCTION_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS3.pdb.gz looking for model 1 # Found a chain break before 249 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_754828574.pdb -s /var/tmp/to_scwrl_754828574.seq -o /var/tmp/from_scwrl_754828574.pdb > /var/tmp/scwrl_754828574.log sh: /var/tmp/scwrl_754828574.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_754828574.pdb or /var/tmp/from_scwrl_754828574.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_754828574_b.pdb or decoys//var/tmp/from_scwrl_754828574_b.pdb.gz for input Trying /var/tmp/from_scwrl_754828574_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_754828574_b.pdb or /var/tmp/from_scwrl_754828574_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_754828574_a.pdb or decoys//var/tmp/from_scwrl_754828574_a.pdb.gz for input Trying /var/tmp/from_scwrl_754828574_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_754828574_a.pdb or /var/tmp/from_scwrl_754828574_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_754828574.pdb or /var/tmp/from_scwrl_754828574_b.pdb or /var/tmp/from_scwrl_754828574_a.pdb Error: no new SCWRL conformation added # naming current conformation FUNCTION_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS4.pdb.gz looking for model 1 # Found a chain break before 213 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1837936588.pdb -s /var/tmp/to_scwrl_1837936588.seq -o /var/tmp/from_scwrl_1837936588.pdb > /var/tmp/scwrl_1837936588.log sh: /var/tmp/scwrl_1837936588.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1837936588.pdb or /var/tmp/from_scwrl_1837936588.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1837936588_b.pdb or decoys//var/tmp/from_scwrl_1837936588_b.pdb.gz for input Trying /var/tmp/from_scwrl_1837936588_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1837936588_b.pdb or /var/tmp/from_scwrl_1837936588_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1837936588_a.pdb or decoys//var/tmp/from_scwrl_1837936588_a.pdb.gz for input Trying /var/tmp/from_scwrl_1837936588_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1837936588_a.pdb or /var/tmp/from_scwrl_1837936588_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1837936588.pdb or /var/tmp/from_scwrl_1837936588_b.pdb or /var/tmp/from_scwrl_1837936588_a.pdb Error: no new SCWRL conformation added # naming current conformation FUNCTION_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS5.pdb.gz looking for model 1 # Found a chain break before 248 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1956931990.pdb -s /var/tmp/to_scwrl_1956931990.seq -o /var/tmp/from_scwrl_1956931990.pdb > /var/tmp/scwrl_1956931990.log sh: /var/tmp/scwrl_1956931990.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1956931990.pdb or /var/tmp/from_scwrl_1956931990.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1956931990_b.pdb or decoys//var/tmp/from_scwrl_1956931990_b.pdb.gz for input Trying /var/tmp/from_scwrl_1956931990_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1956931990_b.pdb or /var/tmp/from_scwrl_1956931990_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1956931990_a.pdb or decoys//var/tmp/from_scwrl_1956931990_a.pdb.gz for input Trying /var/tmp/from_scwrl_1956931990_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1956931990_a.pdb or /var/tmp/from_scwrl_1956931990_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1956931990.pdb or /var/tmp/from_scwrl_1956931990_b.pdb or /var/tmp/from_scwrl_1956931990_a.pdb Error: no new SCWRL conformation added # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1199288553.pdb -s /var/tmp/to_scwrl_1199288553.seq -o /var/tmp/from_scwrl_1199288553.pdb > /var/tmp/scwrl_1199288553.log sh: /var/tmp/scwrl_1199288553.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1199288553.pdb or /var/tmp/from_scwrl_1199288553.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1199288553_b.pdb or decoys//var/tmp/from_scwrl_1199288553_b.pdb.gz for input Trying /var/tmp/from_scwrl_1199288553_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1199288553_b.pdb or /var/tmp/from_scwrl_1199288553_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1199288553_a.pdb or decoys//var/tmp/from_scwrl_1199288553_a.pdb.gz for input Trying /var/tmp/from_scwrl_1199288553_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1199288553_a.pdb or /var/tmp/from_scwrl_1199288553_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1199288553.pdb or /var/tmp/from_scwrl_1199288553_b.pdb or /var/tmp/from_scwrl_1199288553_a.pdb Error: no new SCWRL conformation added # naming current conformation GeneSilicoMetaServer_TS1-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_20876154.pdb -s /var/tmp/to_scwrl_20876154.seq -o /var/tmp/from_scwrl_20876154.pdb > /var/tmp/scwrl_20876154.log sh: /var/tmp/scwrl_20876154.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_20876154.pdb or /var/tmp/from_scwrl_20876154.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_20876154_b.pdb or decoys//var/tmp/from_scwrl_20876154_b.pdb.gz for input Trying /var/tmp/from_scwrl_20876154_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_20876154_b.pdb or /var/tmp/from_scwrl_20876154_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_20876154_a.pdb or decoys//var/tmp/from_scwrl_20876154_a.pdb.gz for input Trying /var/tmp/from_scwrl_20876154_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_20876154_a.pdb or /var/tmp/from_scwrl_20876154_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_20876154.pdb or /var/tmp/from_scwrl_20876154_b.pdb or /var/tmp/from_scwrl_20876154_a.pdb Error: no new SCWRL conformation added # naming current conformation GeneSilicoMetaServer_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1583235526.pdb -s /var/tmp/to_scwrl_1583235526.seq -o /var/tmp/from_scwrl_1583235526.pdb > /var/tmp/scwrl_1583235526.log sh: /var/tmp/scwrl_1583235526.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1583235526.pdb or /var/tmp/from_scwrl_1583235526.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1583235526_b.pdb or decoys//var/tmp/from_scwrl_1583235526_b.pdb.gz for input Trying /var/tmp/from_scwrl_1583235526_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1583235526_b.pdb or /var/tmp/from_scwrl_1583235526_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1583235526_a.pdb or decoys//var/tmp/from_scwrl_1583235526_a.pdb.gz for input Trying /var/tmp/from_scwrl_1583235526_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1583235526_a.pdb or /var/tmp/from_scwrl_1583235526_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1583235526.pdb or /var/tmp/from_scwrl_1583235526_b.pdb or /var/tmp/from_scwrl_1583235526_a.pdb Error: no new SCWRL conformation added # naming current conformation GeneSilicoMetaServer_TS3-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_2006928112.pdb -s /var/tmp/to_scwrl_2006928112.seq -o /var/tmp/from_scwrl_2006928112.pdb > /var/tmp/scwrl_2006928112.log sh: /var/tmp/scwrl_2006928112.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2006928112.pdb or /var/tmp/from_scwrl_2006928112.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2006928112_b.pdb or decoys//var/tmp/from_scwrl_2006928112_b.pdb.gz for input Trying /var/tmp/from_scwrl_2006928112_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2006928112_b.pdb or /var/tmp/from_scwrl_2006928112_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2006928112_a.pdb or decoys//var/tmp/from_scwrl_2006928112_a.pdb.gz for input Trying /var/tmp/from_scwrl_2006928112_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2006928112_a.pdb or /var/tmp/from_scwrl_2006928112_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2006928112.pdb or /var/tmp/from_scwrl_2006928112_b.pdb or /var/tmp/from_scwrl_2006928112_a.pdb Error: no new SCWRL conformation added # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1481540569.pdb -s /var/tmp/to_scwrl_1481540569.seq -o /var/tmp/from_scwrl_1481540569.pdb > /var/tmp/scwrl_1481540569.log sh: /var/tmp/scwrl_1481540569.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1481540569.pdb or /var/tmp/from_scwrl_1481540569.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1481540569_b.pdb or decoys//var/tmp/from_scwrl_1481540569_b.pdb.gz for input Trying /var/tmp/from_scwrl_1481540569_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1481540569_b.pdb or /var/tmp/from_scwrl_1481540569_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1481540569_a.pdb or decoys//var/tmp/from_scwrl_1481540569_a.pdb.gz for input Trying /var/tmp/from_scwrl_1481540569_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1481540569_a.pdb or /var/tmp/from_scwrl_1481540569_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1481540569.pdb or /var/tmp/from_scwrl_1481540569_b.pdb or /var/tmp/from_scwrl_1481540569_a.pdb Error: no new SCWRL conformation added # naming current conformation GeneSilicoMetaServer_TS5-scwrl # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_689100651.pdb -s /var/tmp/to_scwrl_689100651.seq -o /var/tmp/from_scwrl_689100651.pdb > /var/tmp/scwrl_689100651.log sh: /var/tmp/scwrl_689100651.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_689100651.pdb or /var/tmp/from_scwrl_689100651.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_689100651_b.pdb or decoys//var/tmp/from_scwrl_689100651_b.pdb.gz for input Trying /var/tmp/from_scwrl_689100651_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_689100651_b.pdb or /var/tmp/from_scwrl_689100651_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_689100651_a.pdb or decoys//var/tmp/from_scwrl_689100651_a.pdb.gz for input Trying /var/tmp/from_scwrl_689100651_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_689100651_a.pdb or /var/tmp/from_scwrl_689100651_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_689100651.pdb or /var/tmp/from_scwrl_689100651_b.pdb or /var/tmp/from_scwrl_689100651_a.pdb Error: no new SCWRL conformation added # naming current conformation HHpred1_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred2_TS1.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_338860775.pdb -s /var/tmp/to_scwrl_338860775.seq -o /var/tmp/from_scwrl_338860775.pdb > /var/tmp/scwrl_338860775.log sh: /var/tmp/scwrl_338860775.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_338860775.pdb or /var/tmp/from_scwrl_338860775.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_338860775_b.pdb or decoys//var/tmp/from_scwrl_338860775_b.pdb.gz for input Trying /var/tmp/from_scwrl_338860775_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_338860775_b.pdb or /var/tmp/from_scwrl_338860775_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_338860775_a.pdb or decoys//var/tmp/from_scwrl_338860775_a.pdb.gz for input Trying /var/tmp/from_scwrl_338860775_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_338860775_a.pdb or /var/tmp/from_scwrl_338860775_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_338860775.pdb or /var/tmp/from_scwrl_338860775_b.pdb or /var/tmp/from_scwrl_338860775_a.pdb Error: no new SCWRL conformation added # naming current conformation HHpred2_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred3_TS1.pdb.gz looking for model 1 # Found a chain break before 177 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1964765096.pdb -s /var/tmp/to_scwrl_1964765096.seq -o /var/tmp/from_scwrl_1964765096.pdb > /var/tmp/scwrl_1964765096.log sh: /var/tmp/scwrl_1964765096.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1964765096.pdb or /var/tmp/from_scwrl_1964765096.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1964765096_b.pdb or decoys//var/tmp/from_scwrl_1964765096_b.pdb.gz for input Trying /var/tmp/from_scwrl_1964765096_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1964765096_b.pdb or /var/tmp/from_scwrl_1964765096_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1964765096_a.pdb or decoys//var/tmp/from_scwrl_1964765096_a.pdb.gz for input Trying /var/tmp/from_scwrl_1964765096_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1964765096_a.pdb or /var/tmp/from_scwrl_1964765096_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1964765096.pdb or /var/tmp/from_scwrl_1964765096_b.pdb or /var/tmp/from_scwrl_1964765096_a.pdb Error: no new SCWRL conformation added # naming current conformation HHpred3_TS1-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1293709643.pdb -s /var/tmp/to_scwrl_1293709643.seq -o /var/tmp/from_scwrl_1293709643.pdb > /var/tmp/scwrl_1293709643.log sh: /var/tmp/scwrl_1293709643.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1293709643.pdb or /var/tmp/from_scwrl_1293709643.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1293709643_b.pdb or decoys//var/tmp/from_scwrl_1293709643_b.pdb.gz for input Trying /var/tmp/from_scwrl_1293709643_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1293709643_b.pdb or /var/tmp/from_scwrl_1293709643_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1293709643_a.pdb or decoys//var/tmp/from_scwrl_1293709643_a.pdb.gz for input Trying /var/tmp/from_scwrl_1293709643_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1293709643_a.pdb or /var/tmp/from_scwrl_1293709643_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1293709643.pdb or /var/tmp/from_scwrl_1293709643_b.pdb or /var/tmp/from_scwrl_1293709643_a.pdb Error: no new SCWRL conformation added # naming current conformation Huber-Torda-Server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1190675686.pdb -s /var/tmp/to_scwrl_1190675686.seq -o /var/tmp/from_scwrl_1190675686.pdb > /var/tmp/scwrl_1190675686.log sh: /var/tmp/scwrl_1190675686.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1190675686.pdb or /var/tmp/from_scwrl_1190675686.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1190675686_b.pdb or decoys//var/tmp/from_scwrl_1190675686_b.pdb.gz for input Trying /var/tmp/from_scwrl_1190675686_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1190675686_b.pdb or /var/tmp/from_scwrl_1190675686_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1190675686_a.pdb or decoys//var/tmp/from_scwrl_1190675686_a.pdb.gz for input Trying /var/tmp/from_scwrl_1190675686_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1190675686_a.pdb or /var/tmp/from_scwrl_1190675686_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1190675686.pdb or /var/tmp/from_scwrl_1190675686_b.pdb or /var/tmp/from_scwrl_1190675686_a.pdb Error: no new SCWRL conformation added # naming current conformation Huber-Torda-Server_TS2-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1901686952.pdb -s /var/tmp/to_scwrl_1901686952.seq -o /var/tmp/from_scwrl_1901686952.pdb > /var/tmp/scwrl_1901686952.log sh: /var/tmp/scwrl_1901686952.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1901686952.pdb or /var/tmp/from_scwrl_1901686952.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1901686952_b.pdb or decoys//var/tmp/from_scwrl_1901686952_b.pdb.gz for input Trying /var/tmp/from_scwrl_1901686952_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1901686952_b.pdb or /var/tmp/from_scwrl_1901686952_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1901686952_a.pdb or decoys//var/tmp/from_scwrl_1901686952_a.pdb.gz for input Trying /var/tmp/from_scwrl_1901686952_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1901686952_a.pdb or /var/tmp/from_scwrl_1901686952_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1901686952.pdb or /var/tmp/from_scwrl_1901686952_b.pdb or /var/tmp/from_scwrl_1901686952_a.pdb Error: no new SCWRL conformation added # naming current conformation Huber-Torda-Server_TS3-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1037917208.pdb -s /var/tmp/to_scwrl_1037917208.seq -o /var/tmp/from_scwrl_1037917208.pdb > /var/tmp/scwrl_1037917208.log sh: /var/tmp/scwrl_1037917208.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1037917208.pdb or /var/tmp/from_scwrl_1037917208.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1037917208_b.pdb or decoys//var/tmp/from_scwrl_1037917208_b.pdb.gz for input Trying /var/tmp/from_scwrl_1037917208_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1037917208_b.pdb or /var/tmp/from_scwrl_1037917208_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1037917208_a.pdb or decoys//var/tmp/from_scwrl_1037917208_a.pdb.gz for input Trying /var/tmp/from_scwrl_1037917208_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1037917208_a.pdb or /var/tmp/from_scwrl_1037917208_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1037917208.pdb or /var/tmp/from_scwrl_1037917208_b.pdb or /var/tmp/from_scwrl_1037917208_a.pdb Error: no new SCWRL conformation added # naming current conformation Huber-Torda-Server_TS4-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1571655337.pdb -s /var/tmp/to_scwrl_1571655337.seq -o /var/tmp/from_scwrl_1571655337.pdb > /var/tmp/scwrl_1571655337.log sh: /var/tmp/scwrl_1571655337.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1571655337.pdb or /var/tmp/from_scwrl_1571655337.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1571655337_b.pdb or decoys//var/tmp/from_scwrl_1571655337_b.pdb.gz for input Trying /var/tmp/from_scwrl_1571655337_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1571655337_b.pdb or /var/tmp/from_scwrl_1571655337_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1571655337_a.pdb or decoys//var/tmp/from_scwrl_1571655337_a.pdb.gz for input Trying /var/tmp/from_scwrl_1571655337_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1571655337_a.pdb or /var/tmp/from_scwrl_1571655337_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1571655337.pdb or /var/tmp/from_scwrl_1571655337_b.pdb or /var/tmp/from_scwrl_1571655337_a.pdb Error: no new SCWRL conformation added # naming current conformation Huber-Torda-Server_TS5-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_547225158.pdb -s /var/tmp/to_scwrl_547225158.seq -o /var/tmp/from_scwrl_547225158.pdb > /var/tmp/scwrl_547225158.log sh: /var/tmp/scwrl_547225158.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_547225158.pdb or /var/tmp/from_scwrl_547225158.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_547225158_b.pdb or decoys//var/tmp/from_scwrl_547225158_b.pdb.gz for input Trying /var/tmp/from_scwrl_547225158_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_547225158_b.pdb or /var/tmp/from_scwrl_547225158_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_547225158_a.pdb or decoys//var/tmp/from_scwrl_547225158_a.pdb.gz for input Trying /var/tmp/from_scwrl_547225158_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_547225158_a.pdb or /var/tmp/from_scwrl_547225158_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_547225158.pdb or /var/tmp/from_scwrl_547225158_b.pdb or /var/tmp/from_scwrl_547225158_a.pdb Error: no new SCWRL conformation added # naming current conformation LOOPP_TS1-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1654728110.pdb -s /var/tmp/to_scwrl_1654728110.seq -o /var/tmp/from_scwrl_1654728110.pdb > /var/tmp/scwrl_1654728110.log sh: /var/tmp/scwrl_1654728110.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1654728110.pdb or /var/tmp/from_scwrl_1654728110.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1654728110_b.pdb or decoys//var/tmp/from_scwrl_1654728110_b.pdb.gz for input Trying /var/tmp/from_scwrl_1654728110_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1654728110_b.pdb or /var/tmp/from_scwrl_1654728110_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1654728110_a.pdb or decoys//var/tmp/from_scwrl_1654728110_a.pdb.gz for input Trying /var/tmp/from_scwrl_1654728110_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1654728110_a.pdb or /var/tmp/from_scwrl_1654728110_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1654728110.pdb or /var/tmp/from_scwrl_1654728110_b.pdb or /var/tmp/from_scwrl_1654728110_a.pdb Error: no new SCWRL conformation added # naming current conformation LOOPP_TS2-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_2023570325.pdb -s /var/tmp/to_scwrl_2023570325.seq -o /var/tmp/from_scwrl_2023570325.pdb > /var/tmp/scwrl_2023570325.log sh: /var/tmp/scwrl_2023570325.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2023570325.pdb or /var/tmp/from_scwrl_2023570325.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2023570325_b.pdb or decoys//var/tmp/from_scwrl_2023570325_b.pdb.gz for input Trying /var/tmp/from_scwrl_2023570325_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2023570325_b.pdb or /var/tmp/from_scwrl_2023570325_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2023570325_a.pdb or decoys//var/tmp/from_scwrl_2023570325_a.pdb.gz for input Trying /var/tmp/from_scwrl_2023570325_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2023570325_a.pdb or /var/tmp/from_scwrl_2023570325_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2023570325.pdb or /var/tmp/from_scwrl_2023570325_b.pdb or /var/tmp/from_scwrl_2023570325_a.pdb Error: no new SCWRL conformation added # naming current conformation LOOPP_TS3-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_650193158.pdb -s /var/tmp/to_scwrl_650193158.seq -o /var/tmp/from_scwrl_650193158.pdb > /var/tmp/scwrl_650193158.log sh: /var/tmp/scwrl_650193158.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_650193158.pdb or /var/tmp/from_scwrl_650193158.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_650193158_b.pdb or decoys//var/tmp/from_scwrl_650193158_b.pdb.gz for input Trying /var/tmp/from_scwrl_650193158_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_650193158_b.pdb or /var/tmp/from_scwrl_650193158_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_650193158_a.pdb or decoys//var/tmp/from_scwrl_650193158_a.pdb.gz for input Trying /var/tmp/from_scwrl_650193158_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_650193158_a.pdb or /var/tmp/from_scwrl_650193158_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_650193158.pdb or /var/tmp/from_scwrl_650193158_b.pdb or /var/tmp/from_scwrl_650193158_a.pdb Error: no new SCWRL conformation added # naming current conformation LOOPP_TS4-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1385096062.pdb -s /var/tmp/to_scwrl_1385096062.seq -o /var/tmp/from_scwrl_1385096062.pdb > /var/tmp/scwrl_1385096062.log sh: /var/tmp/scwrl_1385096062.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1385096062.pdb or /var/tmp/from_scwrl_1385096062.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1385096062_b.pdb or decoys//var/tmp/from_scwrl_1385096062_b.pdb.gz for input Trying /var/tmp/from_scwrl_1385096062_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1385096062_b.pdb or /var/tmp/from_scwrl_1385096062_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1385096062_a.pdb or decoys//var/tmp/from_scwrl_1385096062_a.pdb.gz for input Trying /var/tmp/from_scwrl_1385096062_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1385096062_a.pdb or /var/tmp/from_scwrl_1385096062_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1385096062.pdb or /var/tmp/from_scwrl_1385096062_b.pdb or /var/tmp/from_scwrl_1385096062_a.pdb Error: no new SCWRL conformation added # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/MIG_FROST_AL1.pdb.gz looking for model 1 Error: Reading chain from PDB file servers/MIG_FROST_AL1.pdb.gz failed. # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1370416476.pdb -s /var/tmp/to_scwrl_1370416476.seq -o /var/tmp/from_scwrl_1370416476.pdb > /var/tmp/scwrl_1370416476.log sh: /var/tmp/scwrl_1370416476.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1370416476.pdb or /var/tmp/from_scwrl_1370416476.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1370416476_b.pdb or decoys//var/tmp/from_scwrl_1370416476_b.pdb.gz for input Trying /var/tmp/from_scwrl_1370416476_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1370416476_b.pdb or /var/tmp/from_scwrl_1370416476_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1370416476_a.pdb or decoys//var/tmp/from_scwrl_1370416476_a.pdb.gz for input Trying /var/tmp/from_scwrl_1370416476_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1370416476_a.pdb or /var/tmp/from_scwrl_1370416476_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1370416476.pdb or /var/tmp/from_scwrl_1370416476_b.pdb or /var/tmp/from_scwrl_1370416476_a.pdb Error: no new SCWRL conformation added # naming current conformation MIG_FROST_AL1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1930499366.pdb -s /var/tmp/to_scwrl_1930499366.seq -o /var/tmp/from_scwrl_1930499366.pdb > /var/tmp/scwrl_1930499366.log sh: /var/tmp/scwrl_1930499366.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1930499366.pdb or /var/tmp/from_scwrl_1930499366.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1930499366_b.pdb or decoys//var/tmp/from_scwrl_1930499366_b.pdb.gz for input Trying /var/tmp/from_scwrl_1930499366_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1930499366_b.pdb or /var/tmp/from_scwrl_1930499366_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1930499366_a.pdb or decoys//var/tmp/from_scwrl_1930499366_a.pdb.gz for input Trying /var/tmp/from_scwrl_1930499366_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1930499366_a.pdb or /var/tmp/from_scwrl_1930499366_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1930499366.pdb or /var/tmp/from_scwrl_1930499366_b.pdb or /var/tmp/from_scwrl_1930499366_a.pdb Error: no new SCWRL conformation added # naming current conformation Ma-OPUS-server2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS2.pdb.gz looking for model 1 # Found a chain break before 220 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1131106267.pdb -s /var/tmp/to_scwrl_1131106267.seq -o /var/tmp/from_scwrl_1131106267.pdb > /var/tmp/scwrl_1131106267.log sh: /var/tmp/scwrl_1131106267.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1131106267.pdb or /var/tmp/from_scwrl_1131106267.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1131106267_b.pdb or decoys//var/tmp/from_scwrl_1131106267_b.pdb.gz for input Trying /var/tmp/from_scwrl_1131106267_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1131106267_b.pdb or /var/tmp/from_scwrl_1131106267_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1131106267_a.pdb or decoys//var/tmp/from_scwrl_1131106267_a.pdb.gz for input Trying /var/tmp/from_scwrl_1131106267_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1131106267_a.pdb or /var/tmp/from_scwrl_1131106267_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1131106267.pdb or /var/tmp/from_scwrl_1131106267_b.pdb or /var/tmp/from_scwrl_1131106267_a.pdb Error: no new SCWRL conformation added # naming current conformation Ma-OPUS-server2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS3.pdb.gz looking for model 1 # Found a chain break before 228 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1914675452.pdb -s /var/tmp/to_scwrl_1914675452.seq -o /var/tmp/from_scwrl_1914675452.pdb > /var/tmp/scwrl_1914675452.log sh: /var/tmp/scwrl_1914675452.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1914675452.pdb or /var/tmp/from_scwrl_1914675452.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1914675452_b.pdb or decoys//var/tmp/from_scwrl_1914675452_b.pdb.gz for input Trying /var/tmp/from_scwrl_1914675452_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1914675452_b.pdb or /var/tmp/from_scwrl_1914675452_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1914675452_a.pdb or decoys//var/tmp/from_scwrl_1914675452_a.pdb.gz for input Trying /var/tmp/from_scwrl_1914675452_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1914675452_a.pdb or /var/tmp/from_scwrl_1914675452_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1914675452.pdb or /var/tmp/from_scwrl_1914675452_b.pdb or /var/tmp/from_scwrl_1914675452_a.pdb Error: no new SCWRL conformation added # naming current conformation Ma-OPUS-server2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS4.pdb.gz looking for model 1 # Found a chain break before 230 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1595694182.pdb -s /var/tmp/to_scwrl_1595694182.seq -o /var/tmp/from_scwrl_1595694182.pdb > /var/tmp/scwrl_1595694182.log sh: /var/tmp/scwrl_1595694182.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1595694182.pdb or /var/tmp/from_scwrl_1595694182.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1595694182_b.pdb or decoys//var/tmp/from_scwrl_1595694182_b.pdb.gz for input Trying /var/tmp/from_scwrl_1595694182_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1595694182_b.pdb or /var/tmp/from_scwrl_1595694182_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1595694182_a.pdb or decoys//var/tmp/from_scwrl_1595694182_a.pdb.gz for input Trying /var/tmp/from_scwrl_1595694182_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1595694182_a.pdb or /var/tmp/from_scwrl_1595694182_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1595694182.pdb or /var/tmp/from_scwrl_1595694182_b.pdb or /var/tmp/from_scwrl_1595694182_a.pdb Error: no new SCWRL conformation added # naming current conformation Ma-OPUS-server2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS5.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_458753934.pdb -s /var/tmp/to_scwrl_458753934.seq -o /var/tmp/from_scwrl_458753934.pdb > /var/tmp/scwrl_458753934.log sh: /var/tmp/scwrl_458753934.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_458753934.pdb or /var/tmp/from_scwrl_458753934.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_458753934_b.pdb or decoys//var/tmp/from_scwrl_458753934_b.pdb.gz for input Trying /var/tmp/from_scwrl_458753934_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_458753934_b.pdb or /var/tmp/from_scwrl_458753934_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_458753934_a.pdb or decoys//var/tmp/from_scwrl_458753934_a.pdb.gz for input Trying /var/tmp/from_scwrl_458753934_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_458753934_a.pdb or /var/tmp/from_scwrl_458753934_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_458753934.pdb or /var/tmp/from_scwrl_458753934_b.pdb or /var/tmp/from_scwrl_458753934_a.pdb Error: no new SCWRL conformation added # naming current conformation Ma-OPUS-server2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 229 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1866179520.pdb -s /var/tmp/to_scwrl_1866179520.seq -o /var/tmp/from_scwrl_1866179520.pdb > /var/tmp/scwrl_1866179520.log sh: /var/tmp/scwrl_1866179520.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1866179520.pdb or /var/tmp/from_scwrl_1866179520.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1866179520_b.pdb or decoys//var/tmp/from_scwrl_1866179520_b.pdb.gz for input Trying /var/tmp/from_scwrl_1866179520_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1866179520_b.pdb or /var/tmp/from_scwrl_1866179520_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1866179520_a.pdb or decoys//var/tmp/from_scwrl_1866179520_a.pdb.gz for input Trying /var/tmp/from_scwrl_1866179520_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1866179520_a.pdb or /var/tmp/from_scwrl_1866179520_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1866179520.pdb or /var/tmp/from_scwrl_1866179520_b.pdb or /var/tmp/from_scwrl_1866179520_a.pdb Error: no new SCWRL conformation added # naming current conformation Ma-OPUS-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS2.pdb.gz looking for model 1 # Found a chain break before 228 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_2131712065.pdb -s /var/tmp/to_scwrl_2131712065.seq -o /var/tmp/from_scwrl_2131712065.pdb > /var/tmp/scwrl_2131712065.log sh: /var/tmp/scwrl_2131712065.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2131712065.pdb or /var/tmp/from_scwrl_2131712065.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2131712065_b.pdb or decoys//var/tmp/from_scwrl_2131712065_b.pdb.gz for input Trying /var/tmp/from_scwrl_2131712065_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2131712065_b.pdb or /var/tmp/from_scwrl_2131712065_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2131712065_a.pdb or decoys//var/tmp/from_scwrl_2131712065_a.pdb.gz for input Trying /var/tmp/from_scwrl_2131712065_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2131712065_a.pdb or /var/tmp/from_scwrl_2131712065_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2131712065.pdb or /var/tmp/from_scwrl_2131712065_b.pdb or /var/tmp/from_scwrl_2131712065_a.pdb Error: no new SCWRL conformation added # naming current conformation Ma-OPUS-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS3.pdb.gz looking for model 1 # Found a chain break before 228 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_819755062.pdb -s /var/tmp/to_scwrl_819755062.seq -o /var/tmp/from_scwrl_819755062.pdb > /var/tmp/scwrl_819755062.log sh: /var/tmp/scwrl_819755062.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_819755062.pdb or /var/tmp/from_scwrl_819755062.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_819755062_b.pdb or decoys//var/tmp/from_scwrl_819755062_b.pdb.gz for input Trying /var/tmp/from_scwrl_819755062_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_819755062_b.pdb or /var/tmp/from_scwrl_819755062_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_819755062_a.pdb or decoys//var/tmp/from_scwrl_819755062_a.pdb.gz for input Trying /var/tmp/from_scwrl_819755062_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_819755062_a.pdb or /var/tmp/from_scwrl_819755062_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_819755062.pdb or /var/tmp/from_scwrl_819755062_b.pdb or /var/tmp/from_scwrl_819755062_a.pdb Error: no new SCWRL conformation added # naming current conformation Ma-OPUS-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS4.pdb.gz looking for model 1 # Found a chain break before 238 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_2048052566.pdb -s /var/tmp/to_scwrl_2048052566.seq -o /var/tmp/from_scwrl_2048052566.pdb > /var/tmp/scwrl_2048052566.log sh: /var/tmp/scwrl_2048052566.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2048052566.pdb or /var/tmp/from_scwrl_2048052566.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2048052566_b.pdb or decoys//var/tmp/from_scwrl_2048052566_b.pdb.gz for input Trying /var/tmp/from_scwrl_2048052566_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2048052566_b.pdb or /var/tmp/from_scwrl_2048052566_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2048052566_a.pdb or decoys//var/tmp/from_scwrl_2048052566_a.pdb.gz for input Trying /var/tmp/from_scwrl_2048052566_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2048052566_a.pdb or /var/tmp/from_scwrl_2048052566_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2048052566.pdb or /var/tmp/from_scwrl_2048052566_b.pdb or /var/tmp/from_scwrl_2048052566_a.pdb Error: no new SCWRL conformation added # naming current conformation Ma-OPUS-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS5.pdb.gz looking for model 1 # Found a chain break before 230 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_739056992.pdb -s /var/tmp/to_scwrl_739056992.seq -o /var/tmp/from_scwrl_739056992.pdb > /var/tmp/scwrl_739056992.log sh: /var/tmp/scwrl_739056992.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_739056992.pdb or /var/tmp/from_scwrl_739056992.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_739056992_b.pdb or decoys//var/tmp/from_scwrl_739056992_b.pdb.gz for input Trying /var/tmp/from_scwrl_739056992_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_739056992_b.pdb or /var/tmp/from_scwrl_739056992_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_739056992_a.pdb or decoys//var/tmp/from_scwrl_739056992_a.pdb.gz for input Trying /var/tmp/from_scwrl_739056992_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_739056992_a.pdb or /var/tmp/from_scwrl_739056992_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_739056992.pdb or /var/tmp/from_scwrl_739056992_b.pdb or /var/tmp/from_scwrl_739056992_a.pdb Error: no new SCWRL conformation added # naming current conformation Ma-OPUS-server_TS5-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS1.pdb.gz looking for model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_510208003.pdb -s /var/tmp/to_scwrl_510208003.seq -o /var/tmp/from_scwrl_510208003.pdb > /var/tmp/scwrl_510208003.log sh: /var/tmp/scwrl_510208003.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_510208003.pdb or /var/tmp/from_scwrl_510208003.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_510208003_b.pdb or decoys//var/tmp/from_scwrl_510208003_b.pdb.gz for input Trying /var/tmp/from_scwrl_510208003_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_510208003_b.pdb or /var/tmp/from_scwrl_510208003_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_510208003_a.pdb or decoys//var/tmp/from_scwrl_510208003_a.pdb.gz for input Trying /var/tmp/from_scwrl_510208003_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_510208003_a.pdb or /var/tmp/from_scwrl_510208003_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_510208003.pdb or /var/tmp/from_scwrl_510208003_b.pdb or /var/tmp/from_scwrl_510208003_a.pdb Error: no new SCWRL conformation added # naming current conformation MetaTasser_TS1-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS2.pdb.gz looking for model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1857500909.pdb -s /var/tmp/to_scwrl_1857500909.seq -o /var/tmp/from_scwrl_1857500909.pdb > /var/tmp/scwrl_1857500909.log sh: /var/tmp/scwrl_1857500909.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1857500909.pdb or /var/tmp/from_scwrl_1857500909.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1857500909_b.pdb or decoys//var/tmp/from_scwrl_1857500909_b.pdb.gz for input Trying /var/tmp/from_scwrl_1857500909_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1857500909_b.pdb or /var/tmp/from_scwrl_1857500909_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1857500909_a.pdb or decoys//var/tmp/from_scwrl_1857500909_a.pdb.gz for input Trying /var/tmp/from_scwrl_1857500909_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1857500909_a.pdb or /var/tmp/from_scwrl_1857500909_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1857500909.pdb or /var/tmp/from_scwrl_1857500909_b.pdb or /var/tmp/from_scwrl_1857500909_a.pdb Error: no new SCWRL conformation added # naming current conformation MetaTasser_TS2-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS3.pdb.gz looking for model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1938345545.pdb -s /var/tmp/to_scwrl_1938345545.seq -o /var/tmp/from_scwrl_1938345545.pdb > /var/tmp/scwrl_1938345545.log sh: /var/tmp/scwrl_1938345545.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1938345545.pdb or /var/tmp/from_scwrl_1938345545.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1938345545_b.pdb or decoys//var/tmp/from_scwrl_1938345545_b.pdb.gz for input Trying /var/tmp/from_scwrl_1938345545_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1938345545_b.pdb or /var/tmp/from_scwrl_1938345545_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1938345545_a.pdb or decoys//var/tmp/from_scwrl_1938345545_a.pdb.gz for input Trying /var/tmp/from_scwrl_1938345545_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1938345545_a.pdb or /var/tmp/from_scwrl_1938345545_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1938345545.pdb or /var/tmp/from_scwrl_1938345545_b.pdb or /var/tmp/from_scwrl_1938345545_a.pdb Error: no new SCWRL conformation added # naming current conformation MetaTasser_TS3-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS4.pdb.gz looking for model 1 # Found a chain break before 249 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_531084158.pdb -s /var/tmp/to_scwrl_531084158.seq -o /var/tmp/from_scwrl_531084158.pdb > /var/tmp/scwrl_531084158.log sh: /var/tmp/scwrl_531084158.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_531084158.pdb or /var/tmp/from_scwrl_531084158.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_531084158_b.pdb or decoys//var/tmp/from_scwrl_531084158_b.pdb.gz for input Trying /var/tmp/from_scwrl_531084158_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_531084158_b.pdb or /var/tmp/from_scwrl_531084158_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_531084158_a.pdb or decoys//var/tmp/from_scwrl_531084158_a.pdb.gz for input Trying /var/tmp/from_scwrl_531084158_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_531084158_a.pdb or /var/tmp/from_scwrl_531084158_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_531084158.pdb or /var/tmp/from_scwrl_531084158_b.pdb or /var/tmp/from_scwrl_531084158_a.pdb Error: no new SCWRL conformation added # naming current conformation MetaTasser_TS4-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS5.pdb.gz looking for model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1293252788.pdb -s /var/tmp/to_scwrl_1293252788.seq -o /var/tmp/from_scwrl_1293252788.pdb > /var/tmp/scwrl_1293252788.log sh: /var/tmp/scwrl_1293252788.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1293252788.pdb or /var/tmp/from_scwrl_1293252788.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1293252788_b.pdb or decoys//var/tmp/from_scwrl_1293252788_b.pdb.gz for input Trying /var/tmp/from_scwrl_1293252788_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1293252788_b.pdb or /var/tmp/from_scwrl_1293252788_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1293252788_a.pdb or decoys//var/tmp/from_scwrl_1293252788_a.pdb.gz for input Trying /var/tmp/from_scwrl_1293252788_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1293252788_a.pdb or /var/tmp/from_scwrl_1293252788_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1293252788.pdb or /var/tmp/from_scwrl_1293252788_b.pdb or /var/tmp/from_scwrl_1293252788_a.pdb Error: no new SCWRL conformation added # naming current conformation MetaTasser_TS5-scwrl # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1797790010.pdb -s /var/tmp/to_scwrl_1797790010.seq -o /var/tmp/from_scwrl_1797790010.pdb > /var/tmp/scwrl_1797790010.log sh: /var/tmp/scwrl_1797790010.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1797790010.pdb or /var/tmp/from_scwrl_1797790010.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1797790010_b.pdb or decoys//var/tmp/from_scwrl_1797790010_b.pdb.gz for input Trying /var/tmp/from_scwrl_1797790010_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1797790010_b.pdb or /var/tmp/from_scwrl_1797790010_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1797790010_a.pdb or decoys//var/tmp/from_scwrl_1797790010_a.pdb.gz for input Trying /var/tmp/from_scwrl_1797790010_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1797790010_a.pdb or /var/tmp/from_scwrl_1797790010_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1797790010.pdb or /var/tmp/from_scwrl_1797790010_b.pdb or /var/tmp/from_scwrl_1797790010_a.pdb Error: no new SCWRL conformation added # naming current conformation NN_PUT_lab_TS1-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS1.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_2012624727.pdb -s /var/tmp/to_scwrl_2012624727.seq -o /var/tmp/from_scwrl_2012624727.pdb > /var/tmp/scwrl_2012624727.log sh: /var/tmp/scwrl_2012624727.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2012624727.pdb or /var/tmp/from_scwrl_2012624727.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2012624727_b.pdb or decoys//var/tmp/from_scwrl_2012624727_b.pdb.gz for input Trying /var/tmp/from_scwrl_2012624727_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2012624727_b.pdb or /var/tmp/from_scwrl_2012624727_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2012624727_a.pdb or decoys//var/tmp/from_scwrl_2012624727_a.pdb.gz for input Trying /var/tmp/from_scwrl_2012624727_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2012624727_a.pdb or /var/tmp/from_scwrl_2012624727_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2012624727.pdb or /var/tmp/from_scwrl_2012624727_b.pdb or /var/tmp/from_scwrl_2012624727_a.pdb Error: no new SCWRL conformation added # naming current conformation POMYSL_TS1-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS2.pdb.gz looking for model 1 WARNING: atom 1 has residue number 3 < previous residue 251 in servers/POMYSL_TS2.pdb.gz # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1982353439.pdb -s /var/tmp/to_scwrl_1982353439.seq -o /var/tmp/from_scwrl_1982353439.pdb > /var/tmp/scwrl_1982353439.log sh: /var/tmp/scwrl_1982353439.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1982353439.pdb or /var/tmp/from_scwrl_1982353439.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1982353439_b.pdb or decoys//var/tmp/from_scwrl_1982353439_b.pdb.gz for input Trying /var/tmp/from_scwrl_1982353439_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1982353439_b.pdb or /var/tmp/from_scwrl_1982353439_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1982353439_a.pdb or decoys//var/tmp/from_scwrl_1982353439_a.pdb.gz for input Trying /var/tmp/from_scwrl_1982353439_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1982353439_a.pdb or /var/tmp/from_scwrl_1982353439_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1982353439.pdb or /var/tmp/from_scwrl_1982353439_b.pdb or /var/tmp/from_scwrl_1982353439_a.pdb Error: no new SCWRL conformation added # naming current conformation POMYSL_TS2-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS3.pdb.gz looking for model 1 WARNING: atom 1 has residue number 84 < previous residue 251 in servers/POMYSL_TS3.pdb.gz # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_2136650786.pdb -s /var/tmp/to_scwrl_2136650786.seq -o /var/tmp/from_scwrl_2136650786.pdb > /var/tmp/scwrl_2136650786.log sh: /var/tmp/scwrl_2136650786.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2136650786.pdb or /var/tmp/from_scwrl_2136650786.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2136650786_b.pdb or decoys//var/tmp/from_scwrl_2136650786_b.pdb.gz for input Trying /var/tmp/from_scwrl_2136650786_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2136650786_b.pdb or /var/tmp/from_scwrl_2136650786_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2136650786_a.pdb or decoys//var/tmp/from_scwrl_2136650786_a.pdb.gz for input Trying /var/tmp/from_scwrl_2136650786_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2136650786_a.pdb or /var/tmp/from_scwrl_2136650786_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2136650786.pdb or /var/tmp/from_scwrl_2136650786_b.pdb or /var/tmp/from_scwrl_2136650786_a.pdb Error: no new SCWRL conformation added # naming current conformation POMYSL_TS3-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS4.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1829906177.pdb -s /var/tmp/to_scwrl_1829906177.seq -o /var/tmp/from_scwrl_1829906177.pdb > /var/tmp/scwrl_1829906177.log sh: /var/tmp/scwrl_1829906177.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1829906177.pdb or /var/tmp/from_scwrl_1829906177.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1829906177_b.pdb or decoys//var/tmp/from_scwrl_1829906177_b.pdb.gz for input Trying /var/tmp/from_scwrl_1829906177_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1829906177_b.pdb or /var/tmp/from_scwrl_1829906177_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1829906177_a.pdb or decoys//var/tmp/from_scwrl_1829906177_a.pdb.gz for input Trying /var/tmp/from_scwrl_1829906177_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1829906177_a.pdb or /var/tmp/from_scwrl_1829906177_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1829906177.pdb or /var/tmp/from_scwrl_1829906177_b.pdb or /var/tmp/from_scwrl_1829906177_a.pdb Error: no new SCWRL conformation added # naming current conformation POMYSL_TS4-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS5.pdb.gz looking for model 1 WARNING: atom 1 has residue number 3 < previous residue 251 in servers/POMYSL_TS5.pdb.gz # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1128579436.pdb -s /var/tmp/to_scwrl_1128579436.seq -o /var/tmp/from_scwrl_1128579436.pdb > /var/tmp/scwrl_1128579436.log sh: /var/tmp/scwrl_1128579436.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1128579436.pdb or /var/tmp/from_scwrl_1128579436.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1128579436_b.pdb or decoys//var/tmp/from_scwrl_1128579436_b.pdb.gz for input Trying /var/tmp/from_scwrl_1128579436_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1128579436_b.pdb or /var/tmp/from_scwrl_1128579436_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1128579436_a.pdb or decoys//var/tmp/from_scwrl_1128579436_a.pdb.gz for input Trying /var/tmp/from_scwrl_1128579436_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1128579436_a.pdb or /var/tmp/from_scwrl_1128579436_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1128579436.pdb or /var/tmp/from_scwrl_1128579436_b.pdb or /var/tmp/from_scwrl_1128579436_a.pdb Error: no new SCWRL conformation added # naming current conformation POMYSL_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1179842825.pdb -s /var/tmp/to_scwrl_1179842825.seq -o /var/tmp/from_scwrl_1179842825.pdb > /var/tmp/scwrl_1179842825.log sh: /var/tmp/scwrl_1179842825.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1179842825.pdb or /var/tmp/from_scwrl_1179842825.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1179842825_b.pdb or decoys//var/tmp/from_scwrl_1179842825_b.pdb.gz for input Trying /var/tmp/from_scwrl_1179842825_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1179842825_b.pdb or /var/tmp/from_scwrl_1179842825_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1179842825_a.pdb or decoys//var/tmp/from_scwrl_1179842825_a.pdb.gz for input Trying /var/tmp/from_scwrl_1179842825_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1179842825_a.pdb or /var/tmp/from_scwrl_1179842825_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1179842825.pdb or /var/tmp/from_scwrl_1179842825_b.pdb or /var/tmp/from_scwrl_1179842825_a.pdb Error: no new SCWRL conformation added # naming current conformation PROTINFO-AB_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS2.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS2 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1584109482.pdb -s /var/tmp/to_scwrl_1584109482.seq -o /var/tmp/from_scwrl_1584109482.pdb > /var/tmp/scwrl_1584109482.log sh: /var/tmp/scwrl_1584109482.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1584109482.pdb or /var/tmp/from_scwrl_1584109482.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1584109482_b.pdb or decoys//var/tmp/from_scwrl_1584109482_b.pdb.gz for input Trying /var/tmp/from_scwrl_1584109482_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1584109482_b.pdb or /var/tmp/from_scwrl_1584109482_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1584109482_a.pdb or decoys//var/tmp/from_scwrl_1584109482_a.pdb.gz for input Trying /var/tmp/from_scwrl_1584109482_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1584109482_a.pdb or /var/tmp/from_scwrl_1584109482_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1584109482.pdb or /var/tmp/from_scwrl_1584109482_b.pdb or /var/tmp/from_scwrl_1584109482_a.pdb Error: no new SCWRL conformation added # naming current conformation PROTINFO-AB_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS3.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS3 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_19012997.pdb -s /var/tmp/to_scwrl_19012997.seq -o /var/tmp/from_scwrl_19012997.pdb > /var/tmp/scwrl_19012997.log sh: /var/tmp/scwrl_19012997.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_19012997.pdb or /var/tmp/from_scwrl_19012997.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_19012997_b.pdb or decoys//var/tmp/from_scwrl_19012997_b.pdb.gz for input Trying /var/tmp/from_scwrl_19012997_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_19012997_b.pdb or /var/tmp/from_scwrl_19012997_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_19012997_a.pdb or decoys//var/tmp/from_scwrl_19012997_a.pdb.gz for input Trying /var/tmp/from_scwrl_19012997_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_19012997_a.pdb or /var/tmp/from_scwrl_19012997_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_19012997.pdb or /var/tmp/from_scwrl_19012997_b.pdb or /var/tmp/from_scwrl_19012997_a.pdb Error: no new SCWRL conformation added # naming current conformation PROTINFO-AB_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS4 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_604014516.pdb -s /var/tmp/to_scwrl_604014516.seq -o /var/tmp/from_scwrl_604014516.pdb > /var/tmp/scwrl_604014516.log sh: /var/tmp/scwrl_604014516.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_604014516.pdb or /var/tmp/from_scwrl_604014516.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_604014516_b.pdb or decoys//var/tmp/from_scwrl_604014516_b.pdb.gz for input Trying /var/tmp/from_scwrl_604014516_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_604014516_b.pdb or /var/tmp/from_scwrl_604014516_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_604014516_a.pdb or decoys//var/tmp/from_scwrl_604014516_a.pdb.gz for input Trying /var/tmp/from_scwrl_604014516_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_604014516_a.pdb or /var/tmp/from_scwrl_604014516_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_604014516.pdb or /var/tmp/from_scwrl_604014516_b.pdb or /var/tmp/from_scwrl_604014516_a.pdb Error: no new SCWRL conformation added # naming current conformation PROTINFO-AB_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS5.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS5 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_2131334640.pdb -s /var/tmp/to_scwrl_2131334640.seq -o /var/tmp/from_scwrl_2131334640.pdb > /var/tmp/scwrl_2131334640.log sh: /var/tmp/scwrl_2131334640.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2131334640.pdb or /var/tmp/from_scwrl_2131334640.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2131334640_b.pdb or decoys//var/tmp/from_scwrl_2131334640_b.pdb.gz for input Trying /var/tmp/from_scwrl_2131334640_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2131334640_b.pdb or /var/tmp/from_scwrl_2131334640_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2131334640_a.pdb or decoys//var/tmp/from_scwrl_2131334640_a.pdb.gz for input Trying /var/tmp/from_scwrl_2131334640_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2131334640_a.pdb or /var/tmp/from_scwrl_2131334640_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2131334640.pdb or /var/tmp/from_scwrl_2131334640_b.pdb or /var/tmp/from_scwrl_2131334640_a.pdb Error: no new SCWRL conformation added # naming current conformation PROTINFO-AB_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1673741107.pdb -s /var/tmp/to_scwrl_1673741107.seq -o /var/tmp/from_scwrl_1673741107.pdb > /var/tmp/scwrl_1673741107.log sh: /var/tmp/scwrl_1673741107.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1673741107.pdb or /var/tmp/from_scwrl_1673741107.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1673741107_b.pdb or decoys//var/tmp/from_scwrl_1673741107_b.pdb.gz for input Trying /var/tmp/from_scwrl_1673741107_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1673741107_b.pdb or /var/tmp/from_scwrl_1673741107_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1673741107_a.pdb or decoys//var/tmp/from_scwrl_1673741107_a.pdb.gz for input Trying /var/tmp/from_scwrl_1673741107_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1673741107_a.pdb or /var/tmp/from_scwrl_1673741107_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1673741107.pdb or /var/tmp/from_scwrl_1673741107_b.pdb or /var/tmp/from_scwrl_1673741107_a.pdb Error: no new SCWRL conformation added # naming current conformation PROTINFO_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_480101195.pdb -s /var/tmp/to_scwrl_480101195.seq -o /var/tmp/from_scwrl_480101195.pdb > /var/tmp/scwrl_480101195.log sh: /var/tmp/scwrl_480101195.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_480101195.pdb or /var/tmp/from_scwrl_480101195.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_480101195_b.pdb or decoys//var/tmp/from_scwrl_480101195_b.pdb.gz for input Trying /var/tmp/from_scwrl_480101195_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_480101195_b.pdb or /var/tmp/from_scwrl_480101195_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_480101195_a.pdb or decoys//var/tmp/from_scwrl_480101195_a.pdb.gz for input Trying /var/tmp/from_scwrl_480101195_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_480101195_a.pdb or /var/tmp/from_scwrl_480101195_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_480101195.pdb or /var/tmp/from_scwrl_480101195_b.pdb or /var/tmp/from_scwrl_480101195_a.pdb Error: no new SCWRL conformation added # naming current conformation PROTINFO_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_634044151.pdb -s /var/tmp/to_scwrl_634044151.seq -o /var/tmp/from_scwrl_634044151.pdb > /var/tmp/scwrl_634044151.log sh: /var/tmp/scwrl_634044151.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_634044151.pdb or /var/tmp/from_scwrl_634044151.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_634044151_b.pdb or decoys//var/tmp/from_scwrl_634044151_b.pdb.gz for input Trying /var/tmp/from_scwrl_634044151_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_634044151_b.pdb or /var/tmp/from_scwrl_634044151_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_634044151_a.pdb or decoys//var/tmp/from_scwrl_634044151_a.pdb.gz for input Trying /var/tmp/from_scwrl_634044151_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_634044151_a.pdb or /var/tmp/from_scwrl_634044151_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_634044151.pdb or /var/tmp/from_scwrl_634044151_b.pdb or /var/tmp/from_scwrl_634044151_a.pdb Error: no new SCWRL conformation added # naming current conformation PROTINFO_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_911353523.pdb -s /var/tmp/to_scwrl_911353523.seq -o /var/tmp/from_scwrl_911353523.pdb > /var/tmp/scwrl_911353523.log sh: /var/tmp/scwrl_911353523.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_911353523.pdb or /var/tmp/from_scwrl_911353523.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_911353523_b.pdb or decoys//var/tmp/from_scwrl_911353523_b.pdb.gz for input Trying /var/tmp/from_scwrl_911353523_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_911353523_b.pdb or /var/tmp/from_scwrl_911353523_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_911353523_a.pdb or decoys//var/tmp/from_scwrl_911353523_a.pdb.gz for input Trying /var/tmp/from_scwrl_911353523_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_911353523_a.pdb or /var/tmp/from_scwrl_911353523_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_911353523.pdb or /var/tmp/from_scwrl_911353523_b.pdb or /var/tmp/from_scwrl_911353523_a.pdb Error: no new SCWRL conformation added # naming current conformation PROTINFO_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1850517671.pdb -s /var/tmp/to_scwrl_1850517671.seq -o /var/tmp/from_scwrl_1850517671.pdb > /var/tmp/scwrl_1850517671.log sh: /var/tmp/scwrl_1850517671.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1850517671.pdb or /var/tmp/from_scwrl_1850517671.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1850517671_b.pdb or decoys//var/tmp/from_scwrl_1850517671_b.pdb.gz for input Trying /var/tmp/from_scwrl_1850517671_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1850517671_b.pdb or /var/tmp/from_scwrl_1850517671_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1850517671_a.pdb or decoys//var/tmp/from_scwrl_1850517671_a.pdb.gz for input Trying /var/tmp/from_scwrl_1850517671_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1850517671_a.pdb or /var/tmp/from_scwrl_1850517671_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1850517671.pdb or /var/tmp/from_scwrl_1850517671_b.pdb or /var/tmp/from_scwrl_1850517671_a.pdb Error: no new SCWRL conformation added # naming current conformation PROTINFO_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_417059871.pdb -s /var/tmp/to_scwrl_417059871.seq -o /var/tmp/from_scwrl_417059871.pdb > /var/tmp/scwrl_417059871.log sh: /var/tmp/scwrl_417059871.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_417059871.pdb or /var/tmp/from_scwrl_417059871.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_417059871_b.pdb or decoys//var/tmp/from_scwrl_417059871_b.pdb.gz for input Trying /var/tmp/from_scwrl_417059871_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_417059871_b.pdb or /var/tmp/from_scwrl_417059871_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_417059871_a.pdb or decoys//var/tmp/from_scwrl_417059871_a.pdb.gz for input Trying /var/tmp/from_scwrl_417059871_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_417059871_a.pdb or /var/tmp/from_scwrl_417059871_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_417059871.pdb or /var/tmp/from_scwrl_417059871_b.pdb or /var/tmp/from_scwrl_417059871_a.pdb Error: no new SCWRL conformation added # naming current conformation Pcons6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_2042459790.pdb -s /var/tmp/to_scwrl_2042459790.seq -o /var/tmp/from_scwrl_2042459790.pdb > /var/tmp/scwrl_2042459790.log sh: /var/tmp/scwrl_2042459790.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2042459790.pdb or /var/tmp/from_scwrl_2042459790.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2042459790_b.pdb or decoys//var/tmp/from_scwrl_2042459790_b.pdb.gz for input Trying /var/tmp/from_scwrl_2042459790_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2042459790_b.pdb or /var/tmp/from_scwrl_2042459790_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2042459790_a.pdb or decoys//var/tmp/from_scwrl_2042459790_a.pdb.gz for input Trying /var/tmp/from_scwrl_2042459790_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2042459790_a.pdb or /var/tmp/from_scwrl_2042459790_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2042459790.pdb or /var/tmp/from_scwrl_2042459790_b.pdb or /var/tmp/from_scwrl_2042459790_a.pdb Error: no new SCWRL conformation added # naming current conformation Pcons6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1617709476.pdb -s /var/tmp/to_scwrl_1617709476.seq -o /var/tmp/from_scwrl_1617709476.pdb > /var/tmp/scwrl_1617709476.log sh: /var/tmp/scwrl_1617709476.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1617709476.pdb or /var/tmp/from_scwrl_1617709476.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1617709476_b.pdb or decoys//var/tmp/from_scwrl_1617709476_b.pdb.gz for input Trying /var/tmp/from_scwrl_1617709476_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1617709476_b.pdb or /var/tmp/from_scwrl_1617709476_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1617709476_a.pdb or decoys//var/tmp/from_scwrl_1617709476_a.pdb.gz for input Trying /var/tmp/from_scwrl_1617709476_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1617709476_a.pdb or /var/tmp/from_scwrl_1617709476_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1617709476.pdb or /var/tmp/from_scwrl_1617709476_b.pdb or /var/tmp/from_scwrl_1617709476_a.pdb Error: no new SCWRL conformation added # naming current conformation Pcons6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_2012754053.pdb -s /var/tmp/to_scwrl_2012754053.seq -o /var/tmp/from_scwrl_2012754053.pdb > /var/tmp/scwrl_2012754053.log sh: /var/tmp/scwrl_2012754053.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2012754053.pdb or /var/tmp/from_scwrl_2012754053.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2012754053_b.pdb or decoys//var/tmp/from_scwrl_2012754053_b.pdb.gz for input Trying /var/tmp/from_scwrl_2012754053_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2012754053_b.pdb or /var/tmp/from_scwrl_2012754053_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2012754053_a.pdb or decoys//var/tmp/from_scwrl_2012754053_a.pdb.gz for input Trying /var/tmp/from_scwrl_2012754053_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2012754053_a.pdb or /var/tmp/from_scwrl_2012754053_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2012754053.pdb or /var/tmp/from_scwrl_2012754053_b.pdb or /var/tmp/from_scwrl_2012754053_a.pdb Error: no new SCWRL conformation added # naming current conformation Pcons6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_353730077.pdb -s /var/tmp/to_scwrl_353730077.seq -o /var/tmp/from_scwrl_353730077.pdb > /var/tmp/scwrl_353730077.log sh: /var/tmp/scwrl_353730077.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_353730077.pdb or /var/tmp/from_scwrl_353730077.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_353730077_b.pdb or decoys//var/tmp/from_scwrl_353730077_b.pdb.gz for input Trying /var/tmp/from_scwrl_353730077_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_353730077_b.pdb or /var/tmp/from_scwrl_353730077_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_353730077_a.pdb or decoys//var/tmp/from_scwrl_353730077_a.pdb.gz for input Trying /var/tmp/from_scwrl_353730077_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_353730077_a.pdb or /var/tmp/from_scwrl_353730077_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_353730077.pdb or /var/tmp/from_scwrl_353730077_b.pdb or /var/tmp/from_scwrl_353730077_a.pdb Error: no new SCWRL conformation added # naming current conformation Pcons6_TS5-scwrl # ReadConformPDB reading from PDB file servers/Phyre-1_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1336405349.pdb -s /var/tmp/to_scwrl_1336405349.seq -o /var/tmp/from_scwrl_1336405349.pdb > /var/tmp/scwrl_1336405349.log sh: /var/tmp/scwrl_1336405349.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1336405349.pdb or /var/tmp/from_scwrl_1336405349.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1336405349_b.pdb or decoys//var/tmp/from_scwrl_1336405349_b.pdb.gz for input Trying /var/tmp/from_scwrl_1336405349_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1336405349_b.pdb or /var/tmp/from_scwrl_1336405349_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1336405349_a.pdb or decoys//var/tmp/from_scwrl_1336405349_a.pdb.gz for input Trying /var/tmp/from_scwrl_1336405349_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1336405349_a.pdb or /var/tmp/from_scwrl_1336405349_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1336405349.pdb or /var/tmp/from_scwrl_1336405349_b.pdb or /var/tmp/from_scwrl_1336405349_a.pdb Error: no new SCWRL conformation added # naming current conformation Phyre-1_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS1.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1996982471.pdb -s /var/tmp/to_scwrl_1996982471.seq -o /var/tmp/from_scwrl_1996982471.pdb > /var/tmp/scwrl_1996982471.log sh: /var/tmp/scwrl_1996982471.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1996982471.pdb or /var/tmp/from_scwrl_1996982471.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1996982471_b.pdb or decoys//var/tmp/from_scwrl_1996982471_b.pdb.gz for input Trying /var/tmp/from_scwrl_1996982471_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1996982471_b.pdb or /var/tmp/from_scwrl_1996982471_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1996982471_a.pdb or decoys//var/tmp/from_scwrl_1996982471_a.pdb.gz for input Trying /var/tmp/from_scwrl_1996982471_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1996982471_a.pdb or /var/tmp/from_scwrl_1996982471_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1996982471.pdb or /var/tmp/from_scwrl_1996982471_b.pdb or /var/tmp/from_scwrl_1996982471_a.pdb Error: no new SCWRL conformation added # naming current conformation Phyre-2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # Found a chain break before 246 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1173485139.pdb -s /var/tmp/to_scwrl_1173485139.seq -o /var/tmp/from_scwrl_1173485139.pdb > /var/tmp/scwrl_1173485139.log sh: /var/tmp/scwrl_1173485139.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1173485139.pdb or /var/tmp/from_scwrl_1173485139.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1173485139_b.pdb or decoys//var/tmp/from_scwrl_1173485139_b.pdb.gz for input Trying /var/tmp/from_scwrl_1173485139_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1173485139_b.pdb or /var/tmp/from_scwrl_1173485139_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1173485139_a.pdb or decoys//var/tmp/from_scwrl_1173485139_a.pdb.gz for input Trying /var/tmp/from_scwrl_1173485139_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1173485139_a.pdb or /var/tmp/from_scwrl_1173485139_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1173485139.pdb or /var/tmp/from_scwrl_1173485139_b.pdb or /var/tmp/from_scwrl_1173485139_a.pdb Error: no new SCWRL conformation added # naming current conformation Phyre-2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1236974268.pdb -s /var/tmp/to_scwrl_1236974268.seq -o /var/tmp/from_scwrl_1236974268.pdb > /var/tmp/scwrl_1236974268.log sh: /var/tmp/scwrl_1236974268.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1236974268.pdb or /var/tmp/from_scwrl_1236974268.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1236974268_b.pdb or decoys//var/tmp/from_scwrl_1236974268_b.pdb.gz for input Trying /var/tmp/from_scwrl_1236974268_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1236974268_b.pdb or /var/tmp/from_scwrl_1236974268_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1236974268_a.pdb or decoys//var/tmp/from_scwrl_1236974268_a.pdb.gz for input Trying /var/tmp/from_scwrl_1236974268_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1236974268_a.pdb or /var/tmp/from_scwrl_1236974268_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1236974268.pdb or /var/tmp/from_scwrl_1236974268_b.pdb or /var/tmp/from_scwrl_1236974268_a.pdb Error: no new SCWRL conformation added # naming current conformation Phyre-2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_588555817.pdb -s /var/tmp/to_scwrl_588555817.seq -o /var/tmp/from_scwrl_588555817.pdb > /var/tmp/scwrl_588555817.log sh: /var/tmp/scwrl_588555817.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_588555817.pdb or /var/tmp/from_scwrl_588555817.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_588555817_b.pdb or decoys//var/tmp/from_scwrl_588555817_b.pdb.gz for input Trying /var/tmp/from_scwrl_588555817_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_588555817_b.pdb or /var/tmp/from_scwrl_588555817_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_588555817_a.pdb or decoys//var/tmp/from_scwrl_588555817_a.pdb.gz for input Trying /var/tmp/from_scwrl_588555817_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_588555817_a.pdb or /var/tmp/from_scwrl_588555817_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_588555817.pdb or /var/tmp/from_scwrl_588555817_b.pdb or /var/tmp/from_scwrl_588555817_a.pdb Error: no new SCWRL conformation added # naming current conformation Phyre-2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # Found a chain break before 246 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1683693142.pdb -s /var/tmp/to_scwrl_1683693142.seq -o /var/tmp/from_scwrl_1683693142.pdb > /var/tmp/scwrl_1683693142.log sh: /var/tmp/scwrl_1683693142.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1683693142.pdb or /var/tmp/from_scwrl_1683693142.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1683693142_b.pdb or decoys//var/tmp/from_scwrl_1683693142_b.pdb.gz for input Trying /var/tmp/from_scwrl_1683693142_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1683693142_b.pdb or /var/tmp/from_scwrl_1683693142_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1683693142_a.pdb or decoys//var/tmp/from_scwrl_1683693142_a.pdb.gz for input Trying /var/tmp/from_scwrl_1683693142_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1683693142_a.pdb or /var/tmp/from_scwrl_1683693142_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1683693142.pdb or /var/tmp/from_scwrl_1683693142_b.pdb or /var/tmp/from_scwrl_1683693142_a.pdb Error: no new SCWRL conformation added # naming current conformation Phyre-2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_946991531.pdb -s /var/tmp/to_scwrl_946991531.seq -o /var/tmp/from_scwrl_946991531.pdb > /var/tmp/scwrl_946991531.log sh: /var/tmp/scwrl_946991531.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_946991531.pdb or /var/tmp/from_scwrl_946991531.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_946991531_b.pdb or decoys//var/tmp/from_scwrl_946991531_b.pdb.gz for input Trying /var/tmp/from_scwrl_946991531_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_946991531_b.pdb or /var/tmp/from_scwrl_946991531_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_946991531_a.pdb or decoys//var/tmp/from_scwrl_946991531_a.pdb.gz for input Trying /var/tmp/from_scwrl_946991531_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_946991531_a.pdb or /var/tmp/from_scwrl_946991531_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_946991531.pdb or /var/tmp/from_scwrl_946991531_b.pdb or /var/tmp/from_scwrl_946991531_a.pdb Error: no new SCWRL conformation added # naming current conformation Pmodeller6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_379417715.pdb -s /var/tmp/to_scwrl_379417715.seq -o /var/tmp/from_scwrl_379417715.pdb > /var/tmp/scwrl_379417715.log sh: /var/tmp/scwrl_379417715.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_379417715.pdb or /var/tmp/from_scwrl_379417715.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_379417715_b.pdb or decoys//var/tmp/from_scwrl_379417715_b.pdb.gz for input Trying /var/tmp/from_scwrl_379417715_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_379417715_b.pdb or /var/tmp/from_scwrl_379417715_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_379417715_a.pdb or decoys//var/tmp/from_scwrl_379417715_a.pdb.gz for input Trying /var/tmp/from_scwrl_379417715_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_379417715_a.pdb or /var/tmp/from_scwrl_379417715_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_379417715.pdb or /var/tmp/from_scwrl_379417715_b.pdb or /var/tmp/from_scwrl_379417715_a.pdb Error: no new SCWRL conformation added # naming current conformation Pmodeller6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_67293653.pdb -s /var/tmp/to_scwrl_67293653.seq -o /var/tmp/from_scwrl_67293653.pdb > /var/tmp/scwrl_67293653.log sh: /var/tmp/scwrl_67293653.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_67293653.pdb or /var/tmp/from_scwrl_67293653.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_67293653_b.pdb or decoys//var/tmp/from_scwrl_67293653_b.pdb.gz for input Trying /var/tmp/from_scwrl_67293653_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_67293653_b.pdb or /var/tmp/from_scwrl_67293653_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_67293653_a.pdb or decoys//var/tmp/from_scwrl_67293653_a.pdb.gz for input Trying /var/tmp/from_scwrl_67293653_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_67293653_a.pdb or /var/tmp/from_scwrl_67293653_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_67293653.pdb or /var/tmp/from_scwrl_67293653_b.pdb or /var/tmp/from_scwrl_67293653_a.pdb Error: no new SCWRL conformation added # naming current conformation Pmodeller6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_92760672.pdb -s /var/tmp/to_scwrl_92760672.seq -o /var/tmp/from_scwrl_92760672.pdb > /var/tmp/scwrl_92760672.log sh: /var/tmp/scwrl_92760672.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_92760672.pdb or /var/tmp/from_scwrl_92760672.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_92760672_b.pdb or decoys//var/tmp/from_scwrl_92760672_b.pdb.gz for input Trying /var/tmp/from_scwrl_92760672_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_92760672_b.pdb or /var/tmp/from_scwrl_92760672_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_92760672_a.pdb or decoys//var/tmp/from_scwrl_92760672_a.pdb.gz for input Trying /var/tmp/from_scwrl_92760672_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_92760672_a.pdb or /var/tmp/from_scwrl_92760672_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_92760672.pdb or /var/tmp/from_scwrl_92760672_b.pdb or /var/tmp/from_scwrl_92760672_a.pdb Error: no new SCWRL conformation added # naming current conformation Pmodeller6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_29724079.pdb -s /var/tmp/to_scwrl_29724079.seq -o /var/tmp/from_scwrl_29724079.pdb > /var/tmp/scwrl_29724079.log sh: /var/tmp/scwrl_29724079.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_29724079.pdb or /var/tmp/from_scwrl_29724079.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_29724079_b.pdb or decoys//var/tmp/from_scwrl_29724079_b.pdb.gz for input Trying /var/tmp/from_scwrl_29724079_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_29724079_b.pdb or /var/tmp/from_scwrl_29724079_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_29724079_a.pdb or decoys//var/tmp/from_scwrl_29724079_a.pdb.gz for input Trying /var/tmp/from_scwrl_29724079_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_29724079_a.pdb or /var/tmp/from_scwrl_29724079_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_29724079.pdb or /var/tmp/from_scwrl_29724079_b.pdb or /var/tmp/from_scwrl_29724079_a.pdb Error: no new SCWRL conformation added # naming current conformation Pmodeller6_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS1.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_2079918381.pdb -s /var/tmp/to_scwrl_2079918381.seq -o /var/tmp/from_scwrl_2079918381.pdb > /var/tmp/scwrl_2079918381.log sh: /var/tmp/scwrl_2079918381.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2079918381.pdb or /var/tmp/from_scwrl_2079918381.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2079918381_b.pdb or decoys//var/tmp/from_scwrl_2079918381_b.pdb.gz for input Trying /var/tmp/from_scwrl_2079918381_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2079918381_b.pdb or /var/tmp/from_scwrl_2079918381_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2079918381_a.pdb or decoys//var/tmp/from_scwrl_2079918381_a.pdb.gz for input Trying /var/tmp/from_scwrl_2079918381_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2079918381_a.pdb or /var/tmp/from_scwrl_2079918381_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2079918381.pdb or /var/tmp/from_scwrl_2079918381_b.pdb or /var/tmp/from_scwrl_2079918381_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTOR-ACE_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS2.pdb.gz looking for model 1 # Found a chain break before 182 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_2075114111.pdb -s /var/tmp/to_scwrl_2075114111.seq -o /var/tmp/from_scwrl_2075114111.pdb > /var/tmp/scwrl_2075114111.log sh: /var/tmp/scwrl_2075114111.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2075114111.pdb or /var/tmp/from_scwrl_2075114111.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2075114111_b.pdb or decoys//var/tmp/from_scwrl_2075114111_b.pdb.gz for input Trying /var/tmp/from_scwrl_2075114111_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2075114111_b.pdb or /var/tmp/from_scwrl_2075114111_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2075114111_a.pdb or decoys//var/tmp/from_scwrl_2075114111_a.pdb.gz for input Trying /var/tmp/from_scwrl_2075114111_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2075114111_a.pdb or /var/tmp/from_scwrl_2075114111_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2075114111.pdb or /var/tmp/from_scwrl_2075114111_b.pdb or /var/tmp/from_scwrl_2075114111_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTOR-ACE_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS3.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_18891218.pdb -s /var/tmp/to_scwrl_18891218.seq -o /var/tmp/from_scwrl_18891218.pdb > /var/tmp/scwrl_18891218.log sh: /var/tmp/scwrl_18891218.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_18891218.pdb or /var/tmp/from_scwrl_18891218.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_18891218_b.pdb or decoys//var/tmp/from_scwrl_18891218_b.pdb.gz for input Trying /var/tmp/from_scwrl_18891218_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_18891218_b.pdb or /var/tmp/from_scwrl_18891218_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_18891218_a.pdb or decoys//var/tmp/from_scwrl_18891218_a.pdb.gz for input Trying /var/tmp/from_scwrl_18891218_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_18891218_a.pdb or /var/tmp/from_scwrl_18891218_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_18891218.pdb or /var/tmp/from_scwrl_18891218_b.pdb or /var/tmp/from_scwrl_18891218_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTOR-ACE_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS4.pdb.gz looking for model 1 # Found a chain break before 225 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1762340911.pdb -s /var/tmp/to_scwrl_1762340911.seq -o /var/tmp/from_scwrl_1762340911.pdb > /var/tmp/scwrl_1762340911.log sh: /var/tmp/scwrl_1762340911.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1762340911.pdb or /var/tmp/from_scwrl_1762340911.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1762340911_b.pdb or decoys//var/tmp/from_scwrl_1762340911_b.pdb.gz for input Trying /var/tmp/from_scwrl_1762340911_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1762340911_b.pdb or /var/tmp/from_scwrl_1762340911_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1762340911_a.pdb or decoys//var/tmp/from_scwrl_1762340911_a.pdb.gz for input Trying /var/tmp/from_scwrl_1762340911_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1762340911_a.pdb or /var/tmp/from_scwrl_1762340911_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1762340911.pdb or /var/tmp/from_scwrl_1762340911_b.pdb or /var/tmp/from_scwrl_1762340911_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTOR-ACE_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS5.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1056209901.pdb -s /var/tmp/to_scwrl_1056209901.seq -o /var/tmp/from_scwrl_1056209901.pdb > /var/tmp/scwrl_1056209901.log sh: /var/tmp/scwrl_1056209901.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1056209901.pdb or /var/tmp/from_scwrl_1056209901.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1056209901_b.pdb or decoys//var/tmp/from_scwrl_1056209901_b.pdb.gz for input Trying /var/tmp/from_scwrl_1056209901_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1056209901_b.pdb or /var/tmp/from_scwrl_1056209901_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1056209901_a.pdb or decoys//var/tmp/from_scwrl_1056209901_a.pdb.gz for input Trying /var/tmp/from_scwrl_1056209901_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1056209901_a.pdb or /var/tmp/from_scwrl_1056209901_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1056209901.pdb or /var/tmp/from_scwrl_1056209901_b.pdb or /var/tmp/from_scwrl_1056209901_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTOR-ACE_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS1.pdb.gz looking for model 1 # Found a chain break before 241 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1198734043.pdb -s /var/tmp/to_scwrl_1198734043.seq -o /var/tmp/from_scwrl_1198734043.pdb > /var/tmp/scwrl_1198734043.log sh: /var/tmp/scwrl_1198734043.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1198734043.pdb or /var/tmp/from_scwrl_1198734043.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1198734043_b.pdb or decoys//var/tmp/from_scwrl_1198734043_b.pdb.gz for input Trying /var/tmp/from_scwrl_1198734043_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1198734043_b.pdb or /var/tmp/from_scwrl_1198734043_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1198734043_a.pdb or decoys//var/tmp/from_scwrl_1198734043_a.pdb.gz for input Trying /var/tmp/from_scwrl_1198734043_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1198734043_a.pdb or /var/tmp/from_scwrl_1198734043_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1198734043.pdb or /var/tmp/from_scwrl_1198734043_b.pdb or /var/tmp/from_scwrl_1198734043_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTORESS_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS2.pdb.gz looking for model 1 # Found a chain break before 245 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1198966746.pdb -s /var/tmp/to_scwrl_1198966746.seq -o /var/tmp/from_scwrl_1198966746.pdb > /var/tmp/scwrl_1198966746.log sh: /var/tmp/scwrl_1198966746.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1198966746.pdb or /var/tmp/from_scwrl_1198966746.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1198966746_b.pdb or decoys//var/tmp/from_scwrl_1198966746_b.pdb.gz for input Trying /var/tmp/from_scwrl_1198966746_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1198966746_b.pdb or /var/tmp/from_scwrl_1198966746_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1198966746_a.pdb or decoys//var/tmp/from_scwrl_1198966746_a.pdb.gz for input Trying /var/tmp/from_scwrl_1198966746_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1198966746_a.pdb or /var/tmp/from_scwrl_1198966746_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1198966746.pdb or /var/tmp/from_scwrl_1198966746_b.pdb or /var/tmp/from_scwrl_1198966746_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTORESS_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS3.pdb.gz looking for model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1075222897.pdb -s /var/tmp/to_scwrl_1075222897.seq -o /var/tmp/from_scwrl_1075222897.pdb > /var/tmp/scwrl_1075222897.log sh: /var/tmp/scwrl_1075222897.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1075222897.pdb or /var/tmp/from_scwrl_1075222897.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1075222897_b.pdb or decoys//var/tmp/from_scwrl_1075222897_b.pdb.gz for input Trying /var/tmp/from_scwrl_1075222897_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1075222897_b.pdb or /var/tmp/from_scwrl_1075222897_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1075222897_a.pdb or decoys//var/tmp/from_scwrl_1075222897_a.pdb.gz for input Trying /var/tmp/from_scwrl_1075222897_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1075222897_a.pdb or /var/tmp/from_scwrl_1075222897_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1075222897.pdb or /var/tmp/from_scwrl_1075222897_b.pdb or /var/tmp/from_scwrl_1075222897_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTORESS_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS4.pdb.gz looking for model 1 # Found a chain break before 246 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1802748560.pdb -s /var/tmp/to_scwrl_1802748560.seq -o /var/tmp/from_scwrl_1802748560.pdb > /var/tmp/scwrl_1802748560.log sh: /var/tmp/scwrl_1802748560.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1802748560.pdb or /var/tmp/from_scwrl_1802748560.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1802748560_b.pdb or decoys//var/tmp/from_scwrl_1802748560_b.pdb.gz for input Trying /var/tmp/from_scwrl_1802748560_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1802748560_b.pdb or /var/tmp/from_scwrl_1802748560_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1802748560_a.pdb or decoys//var/tmp/from_scwrl_1802748560_a.pdb.gz for input Trying /var/tmp/from_scwrl_1802748560_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1802748560_a.pdb or /var/tmp/from_scwrl_1802748560_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1802748560.pdb or /var/tmp/from_scwrl_1802748560_b.pdb or /var/tmp/from_scwrl_1802748560_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTORESS_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS5.pdb.gz looking for model 1 # Found a chain break before 248 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1182817739.pdb -s /var/tmp/to_scwrl_1182817739.seq -o /var/tmp/from_scwrl_1182817739.pdb > /var/tmp/scwrl_1182817739.log sh: /var/tmp/scwrl_1182817739.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1182817739.pdb or /var/tmp/from_scwrl_1182817739.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1182817739_b.pdb or decoys//var/tmp/from_scwrl_1182817739_b.pdb.gz for input Trying /var/tmp/from_scwrl_1182817739_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1182817739_b.pdb or /var/tmp/from_scwrl_1182817739_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1182817739_a.pdb or decoys//var/tmp/from_scwrl_1182817739_a.pdb.gz for input Trying /var/tmp/from_scwrl_1182817739_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1182817739_a.pdb or /var/tmp/from_scwrl_1182817739_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1182817739.pdb or /var/tmp/from_scwrl_1182817739_b.pdb or /var/tmp/from_scwrl_1182817739_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTORESS_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS1.pdb.gz looking for model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_601480358.pdb -s /var/tmp/to_scwrl_601480358.seq -o /var/tmp/from_scwrl_601480358.pdb > /var/tmp/scwrl_601480358.log sh: /var/tmp/scwrl_601480358.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_601480358.pdb or /var/tmp/from_scwrl_601480358.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_601480358_b.pdb or decoys//var/tmp/from_scwrl_601480358_b.pdb.gz for input Trying /var/tmp/from_scwrl_601480358_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_601480358_b.pdb or /var/tmp/from_scwrl_601480358_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_601480358_a.pdb or decoys//var/tmp/from_scwrl_601480358_a.pdb.gz for input Trying /var/tmp/from_scwrl_601480358_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_601480358_a.pdb or /var/tmp/from_scwrl_601480358_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_601480358.pdb or /var/tmp/from_scwrl_601480358_b.pdb or /var/tmp/from_scwrl_601480358_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTOR_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS2.pdb.gz looking for model 1 # Found a chain break before 226 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_135366108.pdb -s /var/tmp/to_scwrl_135366108.seq -o /var/tmp/from_scwrl_135366108.pdb > /var/tmp/scwrl_135366108.log sh: /var/tmp/scwrl_135366108.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_135366108.pdb or /var/tmp/from_scwrl_135366108.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_135366108_b.pdb or decoys//var/tmp/from_scwrl_135366108_b.pdb.gz for input Trying /var/tmp/from_scwrl_135366108_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_135366108_b.pdb or /var/tmp/from_scwrl_135366108_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_135366108_a.pdb or decoys//var/tmp/from_scwrl_135366108_a.pdb.gz for input Trying /var/tmp/from_scwrl_135366108_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_135366108_a.pdb or /var/tmp/from_scwrl_135366108_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_135366108.pdb or /var/tmp/from_scwrl_135366108_b.pdb or /var/tmp/from_scwrl_135366108_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTOR_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS3.pdb.gz looking for model 1 # Found a chain break before 237 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1816861890.pdb -s /var/tmp/to_scwrl_1816861890.seq -o /var/tmp/from_scwrl_1816861890.pdb > /var/tmp/scwrl_1816861890.log sh: /var/tmp/scwrl_1816861890.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1816861890.pdb or /var/tmp/from_scwrl_1816861890.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1816861890_b.pdb or decoys//var/tmp/from_scwrl_1816861890_b.pdb.gz for input Trying /var/tmp/from_scwrl_1816861890_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1816861890_b.pdb or /var/tmp/from_scwrl_1816861890_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1816861890_a.pdb or decoys//var/tmp/from_scwrl_1816861890_a.pdb.gz for input Trying /var/tmp/from_scwrl_1816861890_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1816861890_a.pdb or /var/tmp/from_scwrl_1816861890_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1816861890.pdb or /var/tmp/from_scwrl_1816861890_b.pdb or /var/tmp/from_scwrl_1816861890_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTOR_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS4.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1512833880.pdb -s /var/tmp/to_scwrl_1512833880.seq -o /var/tmp/from_scwrl_1512833880.pdb > /var/tmp/scwrl_1512833880.log sh: /var/tmp/scwrl_1512833880.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1512833880.pdb or /var/tmp/from_scwrl_1512833880.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1512833880_b.pdb or decoys//var/tmp/from_scwrl_1512833880_b.pdb.gz for input Trying /var/tmp/from_scwrl_1512833880_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1512833880_b.pdb or /var/tmp/from_scwrl_1512833880_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1512833880_a.pdb or decoys//var/tmp/from_scwrl_1512833880_a.pdb.gz for input Trying /var/tmp/from_scwrl_1512833880_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1512833880_a.pdb or /var/tmp/from_scwrl_1512833880_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1512833880.pdb or /var/tmp/from_scwrl_1512833880_b.pdb or /var/tmp/from_scwrl_1512833880_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTOR_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS5.pdb.gz looking for model 1 # Found a chain break before 219 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1985883779.pdb -s /var/tmp/to_scwrl_1985883779.seq -o /var/tmp/from_scwrl_1985883779.pdb > /var/tmp/scwrl_1985883779.log sh: /var/tmp/scwrl_1985883779.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1985883779.pdb or /var/tmp/from_scwrl_1985883779.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1985883779_b.pdb or decoys//var/tmp/from_scwrl_1985883779_b.pdb.gz for input Trying /var/tmp/from_scwrl_1985883779_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1985883779_b.pdb or /var/tmp/from_scwrl_1985883779_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1985883779_a.pdb or decoys//var/tmp/from_scwrl_1985883779_a.pdb.gz for input Trying /var/tmp/from_scwrl_1985883779_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1985883779_a.pdb or /var/tmp/from_scwrl_1985883779_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1985883779.pdb or /var/tmp/from_scwrl_1985883779_b.pdb or /var/tmp/from_scwrl_1985883779_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTOR_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS1.pdb.gz looking for model 1 # Found a chain break before 235 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_86438114.pdb -s /var/tmp/to_scwrl_86438114.seq -o /var/tmp/from_scwrl_86438114.pdb > /var/tmp/scwrl_86438114.log sh: /var/tmp/scwrl_86438114.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_86438114.pdb or /var/tmp/from_scwrl_86438114.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_86438114_b.pdb or decoys//var/tmp/from_scwrl_86438114_b.pdb.gz for input Trying /var/tmp/from_scwrl_86438114_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_86438114_b.pdb or /var/tmp/from_scwrl_86438114_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_86438114_a.pdb or decoys//var/tmp/from_scwrl_86438114_a.pdb.gz for input Trying /var/tmp/from_scwrl_86438114_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_86438114_a.pdb or /var/tmp/from_scwrl_86438114_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_86438114.pdb or /var/tmp/from_scwrl_86438114_b.pdb or /var/tmp/from_scwrl_86438114_a.pdb Error: no new SCWRL conformation added # naming current conformation ROBETTA_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS2.pdb.gz looking for model 1 # Found a chain break before 237 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1407810024.pdb -s /var/tmp/to_scwrl_1407810024.seq -o /var/tmp/from_scwrl_1407810024.pdb > /var/tmp/scwrl_1407810024.log sh: /var/tmp/scwrl_1407810024.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1407810024.pdb or /var/tmp/from_scwrl_1407810024.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1407810024_b.pdb or decoys//var/tmp/from_scwrl_1407810024_b.pdb.gz for input Trying /var/tmp/from_scwrl_1407810024_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1407810024_b.pdb or /var/tmp/from_scwrl_1407810024_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1407810024_a.pdb or decoys//var/tmp/from_scwrl_1407810024_a.pdb.gz for input Trying /var/tmp/from_scwrl_1407810024_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1407810024_a.pdb or /var/tmp/from_scwrl_1407810024_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1407810024.pdb or /var/tmp/from_scwrl_1407810024_b.pdb or /var/tmp/from_scwrl_1407810024_a.pdb Error: no new SCWRL conformation added # naming current conformation ROBETTA_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS3.pdb.gz looking for model 1 # Found a chain break before 237 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1456109608.pdb -s /var/tmp/to_scwrl_1456109608.seq -o /var/tmp/from_scwrl_1456109608.pdb > /var/tmp/scwrl_1456109608.log sh: /var/tmp/scwrl_1456109608.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1456109608.pdb or /var/tmp/from_scwrl_1456109608.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1456109608_b.pdb or decoys//var/tmp/from_scwrl_1456109608_b.pdb.gz for input Trying /var/tmp/from_scwrl_1456109608_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1456109608_b.pdb or /var/tmp/from_scwrl_1456109608_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1456109608_a.pdb or decoys//var/tmp/from_scwrl_1456109608_a.pdb.gz for input Trying /var/tmp/from_scwrl_1456109608_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1456109608_a.pdb or /var/tmp/from_scwrl_1456109608_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1456109608.pdb or /var/tmp/from_scwrl_1456109608_b.pdb or /var/tmp/from_scwrl_1456109608_a.pdb Error: no new SCWRL conformation added # naming current conformation ROBETTA_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS4.pdb.gz looking for model 1 # Found a chain break before 229 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_2099192167.pdb -s /var/tmp/to_scwrl_2099192167.seq -o /var/tmp/from_scwrl_2099192167.pdb > /var/tmp/scwrl_2099192167.log sh: /var/tmp/scwrl_2099192167.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2099192167.pdb or /var/tmp/from_scwrl_2099192167.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2099192167_b.pdb or decoys//var/tmp/from_scwrl_2099192167_b.pdb.gz for input Trying /var/tmp/from_scwrl_2099192167_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2099192167_b.pdb or /var/tmp/from_scwrl_2099192167_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2099192167_a.pdb or decoys//var/tmp/from_scwrl_2099192167_a.pdb.gz for input Trying /var/tmp/from_scwrl_2099192167_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2099192167_a.pdb or /var/tmp/from_scwrl_2099192167_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2099192167.pdb or /var/tmp/from_scwrl_2099192167_b.pdb or /var/tmp/from_scwrl_2099192167_a.pdb Error: no new SCWRL conformation added # naming current conformation ROBETTA_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS5.pdb.gz looking for model 1 # Found a chain break before 237 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1761540101.pdb -s /var/tmp/to_scwrl_1761540101.seq -o /var/tmp/from_scwrl_1761540101.pdb > /var/tmp/scwrl_1761540101.log sh: /var/tmp/scwrl_1761540101.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1761540101.pdb or /var/tmp/from_scwrl_1761540101.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1761540101_b.pdb or decoys//var/tmp/from_scwrl_1761540101_b.pdb.gz for input Trying /var/tmp/from_scwrl_1761540101_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1761540101_b.pdb or /var/tmp/from_scwrl_1761540101_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1761540101_a.pdb or decoys//var/tmp/from_scwrl_1761540101_a.pdb.gz for input Trying /var/tmp/from_scwrl_1761540101_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1761540101_a.pdb or /var/tmp/from_scwrl_1761540101_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1761540101.pdb or /var/tmp/from_scwrl_1761540101_b.pdb or /var/tmp/from_scwrl_1761540101_a.pdb Error: no new SCWRL conformation added # naming current conformation ROBETTA_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0321)N41.CA and (T0321)N41.CB only 0.000 apart, marking (T0321)N41.CB as missing WARNING: atoms too close: (T0321)R42.CA and (T0321)R42.CB only 0.000 apart, marking (T0321)R42.CB as missing WARNING: atoms too close: (T0321)Q53.CA and (T0321)Q53.CB only 0.000 apart, marking (T0321)Q53.CB as missing WARNING: atoms too close: (T0321)N54.CA and (T0321)N54.CB only 0.000 apart, marking (T0321)N54.CB as missing WARNING: atoms too close: (T0321)V62.CA and (T0321)V62.CB only 0.000 apart, marking (T0321)V62.CB as missing WARNING: atoms too close: (T0321)A81.CA and (T0321)A81.CB only 0.000 apart, marking (T0321)A81.CB as missing WARNING: atoms too close: (T0321)N83.CA and (T0321)N83.CB only 0.000 apart, marking (T0321)N83.CB as missing WARNING: atoms too close: (T0321)R104.CA and (T0321)R104.CB only 0.000 apart, marking (T0321)R104.CB as missing WARNING: atoms too close: (T0321)E119.CA and (T0321)E119.CB only 0.000 apart, marking (T0321)E119.CB as missing WARNING: atoms too close: (T0321)S136.CA and (T0321)S136.CB only 0.000 apart, marking (T0321)S136.CB as missing WARNING: atoms too close: (T0321)P140.CA and (T0321)P140.CB only 0.000 apart, marking (T0321)P140.CB as missing WARNING: atoms too close: (T0321)D155.CA and (T0321)D155.CB only 0.000 apart, marking (T0321)D155.CB as missing WARNING: atoms too close: (T0321)Y156.CA and (T0321)Y156.CB only 0.000 apart, marking (T0321)Y156.CB as missing WARNING: atoms too close: (T0321)P159.CA and (T0321)P159.CB only 0.000 apart, marking (T0321)P159.CB as missing WARNING: atoms too close: (T0321)A160.CA and (T0321)A160.CB only 0.000 apart, marking (T0321)A160.CB as missing WARNING: atoms too close: (T0321)F163.CA and (T0321)F163.CB only 0.000 apart, marking (T0321)F163.CB as missing WARNING: atoms too close: (T0321)I164.CA and (T0321)I164.CB only 0.000 apart, marking (T0321)I164.CB as missing WARNING: atoms too close: (T0321)Y170.CA and (T0321)Y170.CB only 0.000 apart, marking (T0321)Y170.CB as missing WARNING: atoms too close: (T0321)Y172.CA and (T0321)Y172.CB only 0.000 apart, marking (T0321)Y172.CB as missing WARNING: atoms too close: (T0321)T182.CA and (T0321)T182.CB only 0.000 apart, marking (T0321)T182.CB as missing WARNING: atoms too close: (T0321)R185.CA and (T0321)R185.CB only 0.000 apart, marking (T0321)R185.CB as missing WARNING: atoms too close: (T0321)N192.CA and (T0321)N192.CB only 0.000 apart, marking (T0321)N192.CB as missing WARNING: atoms too close: (T0321)R195.CA and (T0321)R195.CB only 0.000 apart, marking (T0321)R195.CB as missing WARNING: atoms too close: (T0321)T197.CA and (T0321)T197.CB only 0.000 apart, marking (T0321)T197.CB as missing WARNING: atoms too close: (T0321)T203.CA and (T0321)T203.CB only 0.000 apart, marking (T0321)T203.CB as missing WARNING: atoms too close: (T0321)E216.CA and (T0321)E216.CB only 0.000 apart, marking (T0321)E216.CB as missing WARNING: atoms too close: (T0321)S242.CA and (T0321)S242.CB only 0.000 apart, marking (T0321)S242.CB as missing # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_645031311.pdb -s /var/tmp/to_scwrl_645031311.seq -o /var/tmp/from_scwrl_645031311.pdb > /var/tmp/scwrl_645031311.log sh: /var/tmp/scwrl_645031311.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_645031311.pdb or /var/tmp/from_scwrl_645031311.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_645031311_b.pdb or decoys//var/tmp/from_scwrl_645031311_b.pdb.gz for input Trying /var/tmp/from_scwrl_645031311_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_645031311_b.pdb or /var/tmp/from_scwrl_645031311_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_645031311_a.pdb or decoys//var/tmp/from_scwrl_645031311_a.pdb.gz for input Trying /var/tmp/from_scwrl_645031311_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_645031311_a.pdb or /var/tmp/from_scwrl_645031311_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_645031311.pdb or /var/tmp/from_scwrl_645031311_b.pdb or /var/tmp/from_scwrl_645031311_a.pdb Error: no new SCWRL conformation added # naming current conformation ROKKY_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 WARNING: atoms too close: (T0321)I9.CA and (T0321)I9.CB only 0.000 apart, marking (T0321)I9.CB as missing WARNING: atoms too close: (T0321)F16.CA and (T0321)F16.CB only 0.000 apart, marking (T0321)F16.CB as missing WARNING: atoms too close: (T0321)N41.CA and (T0321)N41.CB only 0.000 apart, marking (T0321)N41.CB as missing WARNING: atoms too close: (T0321)Q53.CA and (T0321)Q53.CB only 0.000 apart, marking (T0321)Q53.CB as missing WARNING: atoms too close: (T0321)V62.CA and (T0321)V62.CB only 0.000 apart, marking (T0321)V62.CB as missing WARNING: atoms too close: (T0321)I77.CA and (T0321)I77.CB only 0.000 apart, marking (T0321)I77.CB as missing WARNING: atoms too close: (T0321)S100.CA and (T0321)S100.CB only 0.000 apart, marking (T0321)S100.CB as missing WARNING: atoms too close: (T0321)R104.CA and (T0321)R104.CB only 0.000 apart, marking (T0321)R104.CB as missing WARNING: atoms too close: (T0321)E119.CA and (T0321)E119.CB only 0.000 apart, marking (T0321)E119.CB as missing WARNING: atoms too close: (T0321)K124.CA and (T0321)K124.CB only 0.000 apart, marking (T0321)K124.CB as missing WARNING: atoms too close: (T0321)V127.CA and (T0321)V127.CB only 0.000 apart, marking (T0321)V127.CB as missing WARNING: atoms too close: (T0321)L138.CA and (T0321)L138.CB only 0.000 apart, marking (T0321)L138.CB as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)E139.CB only 0.000 apart, marking (T0321)E139.CB as missing WARNING: atoms too close: (T0321)S145.CA and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)E148.CA and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)D155.CA and (T0321)D155.CB only 0.000 apart, marking (T0321)D155.CB as missing WARNING: atoms too close: (T0321)Y156.CA and (T0321)Y156.CB only 0.000 apart, marking (T0321)Y156.CB as missing WARNING: atoms too close: (T0321)I164.CA and (T0321)I164.CB only 0.000 apart, marking (T0321)I164.CB as missing WARNING: atoms too close: (T0321)C168.CA and (T0321)C168.CB only 0.000 apart, marking (T0321)C168.CB as missing WARNING: atoms too close: (T0321)Y170.CA and (T0321)Y170.CB only 0.000 apart, marking (T0321)Y170.CB as missing WARNING: atoms too close: (T0321)A176.CA and (T0321)A176.CB only 0.000 apart, marking (T0321)A176.CB as missing WARNING: atoms too close: (T0321)R185.CA and (T0321)R185.CB only 0.000 apart, marking (T0321)R185.CB as missing WARNING: atoms too close: (T0321)T203.CA and (T0321)T203.CB only 0.000 apart, marking (T0321)T203.CB as missing WARNING: atoms too close: (T0321)A206.CA and (T0321)A206.CB only 0.000 apart, marking (T0321)A206.CB as missing WARNING: atoms too close: (T0321)L209.CA and (T0321)L209.CB only 0.000 apart, marking (T0321)L209.CB as missing WARNING: atoms too close: (T0321)H212.CA and (T0321)H212.CB only 0.000 apart, marking (T0321)H212.CB as missing WARNING: atoms too close: (T0321)K223.CA and (T0321)K223.CB only 0.000 apart, marking (T0321)K223.CB as missing WARNING: atoms too close: (T0321)F229.CA and (T0321)F229.CB only 0.000 apart, marking (T0321)F229.CB as missing WARNING: atoms too close: (T0321)S242.CA and (T0321)S242.CB only 0.000 apart, marking (T0321)S242.CB as missing # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1948690992.pdb -s /var/tmp/to_scwrl_1948690992.seq -o /var/tmp/from_scwrl_1948690992.pdb > /var/tmp/scwrl_1948690992.log sh: /var/tmp/scwrl_1948690992.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1948690992.pdb or /var/tmp/from_scwrl_1948690992.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1948690992_b.pdb or decoys//var/tmp/from_scwrl_1948690992_b.pdb.gz for input Trying /var/tmp/from_scwrl_1948690992_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1948690992_b.pdb or /var/tmp/from_scwrl_1948690992_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1948690992_a.pdb or decoys//var/tmp/from_scwrl_1948690992_a.pdb.gz for input Trying /var/tmp/from_scwrl_1948690992_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1948690992_a.pdb or /var/tmp/from_scwrl_1948690992_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1948690992.pdb or /var/tmp/from_scwrl_1948690992_b.pdb or /var/tmp/from_scwrl_1948690992_a.pdb Error: no new SCWRL conformation added # naming current conformation ROKKY_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 WARNING: atoms too close: (T0321)M8.CA and (T0321)M8.CB only 0.000 apart, marking (T0321)M8.CB as missing WARNING: atoms too close: (T0321)I9.CA and (T0321)I9.CB only 0.000 apart, marking (T0321)I9.CB as missing WARNING: atoms too close: (T0321)L17.CA and (T0321)L17.CB only 0.000 apart, marking (T0321)L17.CB as missing WARNING: atoms too close: (T0321)F44.CA and (T0321)F44.CB only 0.000 apart, marking (T0321)F44.CB as missing WARNING: atoms too close: (T0321)P49.CA and (T0321)P49.CB only 0.000 apart, marking (T0321)P49.CB as missing WARNING: atoms too close: (T0321)L56.CA and (T0321)L56.CB only 0.000 apart, marking (T0321)L56.CB as missing WARNING: atoms too close: (T0321)S69.CA and (T0321)S69.CB only 0.000 apart, marking (T0321)S69.CB as missing WARNING: atoms too close: (T0321)Y72.CA and (T0321)Y72.CB only 0.000 apart, marking (T0321)Y72.CB as missing WARNING: atoms too close: (T0321)I82.CA and (T0321)I82.CB only 0.000 apart, marking (T0321)I82.CB as missing WARNING: atoms too close: (T0321)A84.CA and (T0321)A84.CB only 0.000 apart, marking (T0321)A84.CB as missing WARNING: atoms too close: (T0321)Y85.CA and (T0321)Y85.CB only 0.000 apart, marking (T0321)Y85.CB as missing WARNING: atoms too close: (T0321)Q90.CA and (T0321)Q90.CB only 0.000 apart, marking (T0321)Q90.CB as missing WARNING: atoms too close: (T0321)S100.CA and (T0321)S100.CB only 0.000 apart, marking (T0321)S100.CB as missing WARNING: atoms too close: (T0321)V120.CA and (T0321)V120.CB only 0.000 apart, marking (T0321)V120.CB as missing WARNING: atoms too close: (T0321)V125.CA and (T0321)V125.CB only 0.000 apart, marking (T0321)V125.CB as missing WARNING: atoms too close: (T0321)V127.CA and (T0321)V127.CB only 0.000 apart, marking (T0321)V127.CB as missing WARNING: atoms too close: (T0321)E139.CA and (T0321)E139.CB only 0.000 apart, marking (T0321)E139.CB as missing WARNING: atoms too close: (T0321)L144.CA and (T0321)L144.CB only 0.000 apart, marking (T0321)L144.CB as missing WARNING: atoms too close: (T0321)P151.CA and (T0321)P151.CB only 0.000 apart, marking (T0321)P151.CB as missing WARNING: atoms too close: (T0321)E152.CA and (T0321)E152.CB only 0.000 apart, marking (T0321)E152.CB as missing WARNING: atoms too close: (T0321)E153.CA and (T0321)E153.CB only 0.000 apart, marking (T0321)E153.CB as missing WARNING: atoms too close: (T0321)I164.CA and (T0321)I164.CB only 0.000 apart, marking (T0321)I164.CB as missing WARNING: atoms too close: (T0321)L165.CA and (T0321)L165.CB only 0.000 apart, marking (T0321)L165.CB as missing WARNING: atoms too close: (T0321)T174.CA and (T0321)T174.CB only 0.000 apart, marking (T0321)T174.CB as missing WARNING: atoms too close: (T0321)R191.CA and (T0321)R191.CB only 0.000 apart, marking (T0321)R191.CB as missing WARNING: atoms too close: (T0321)N192.CA and (T0321)N192.CB only 0.000 apart, marking (T0321)N192.CB as missing WARNING: atoms too close: (T0321)T203.CA and (T0321)T203.CB only 0.000 apart, marking (T0321)T203.CB as missing WARNING: atoms too close: (T0321)H212.CA and (T0321)H212.CB only 0.000 apart, marking (T0321)H212.CB as missing WARNING: atoms too close: (T0321)E216.CA and (T0321)E216.CB only 0.000 apart, marking (T0321)E216.CB as missing WARNING: atoms too close: (T0321)L217.CA and (T0321)L217.CB only 0.000 apart, marking (T0321)L217.CB as missing WARNING: atoms too close: (T0321)A226.CA and (T0321)A226.CB only 0.000 apart, marking (T0321)A226.CB as missing WARNING: atoms too close: (T0321)F229.CA and (T0321)F229.CB only 0.000 apart, marking (T0321)F229.CB as missing WARNING: atoms too close: (T0321)A235.CA and (T0321)A235.CB only 0.000 apart, marking (T0321)A235.CB as missing WARNING: atoms too close: (T0321)K237.CA and (T0321)K237.CB only 0.000 apart, marking (T0321)K237.CB as missing WARNING: atoms too close: (T0321)K239.CA and (T0321)K239.CB only 0.000 apart, marking (T0321)K239.CB as missing WARNING: atoms too close: (T0321)S242.CA and (T0321)S242.CB only 0.000 apart, marking (T0321)S242.CB as missing # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_787541594.pdb -s /var/tmp/to_scwrl_787541594.seq -o /var/tmp/from_scwrl_787541594.pdb > /var/tmp/scwrl_787541594.log sh: /var/tmp/scwrl_787541594.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_787541594.pdb or /var/tmp/from_scwrl_787541594.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_787541594_b.pdb or decoys//var/tmp/from_scwrl_787541594_b.pdb.gz for input Trying /var/tmp/from_scwrl_787541594_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_787541594_b.pdb or /var/tmp/from_scwrl_787541594_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_787541594_a.pdb or decoys//var/tmp/from_scwrl_787541594_a.pdb.gz for input Trying /var/tmp/from_scwrl_787541594_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_787541594_a.pdb or /var/tmp/from_scwrl_787541594_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_787541594.pdb or /var/tmp/from_scwrl_787541594_b.pdb or /var/tmp/from_scwrl_787541594_a.pdb Error: no new SCWRL conformation added # naming current conformation ROKKY_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 WARNING: atoms too close: (T0321)M1.CA and (T0321)M1.CB only 0.000 apart, marking (T0321)M1.CB as missing WARNING: atoms too close: (T0321)W2.CA and (T0321)W2.CB only 0.000 apart, marking (T0321)W2.CB as missing WARNING: atoms too close: (T0321)F16.CA and (T0321)F16.CB only 0.000 apart, marking (T0321)F16.CB as missing WARNING: atoms too close: (T0321)C23.CA and (T0321)C23.CB only 0.000 apart, marking (T0321)C23.CB as missing WARNING: atoms too close: (T0321)L55.CA and (T0321)L55.CB only 0.000 apart, marking (T0321)L55.CB as missing WARNING: atoms too close: (T0321)L58.CA and (T0321)L58.CB only 0.000 apart, marking (T0321)L58.CB as missing WARNING: atoms too close: (T0321)C66.CA and (T0321)C66.CB only 0.000 apart, marking (T0321)C66.CB as missing WARNING: atoms too close: (T0321)I77.CA and (T0321)I77.CB only 0.000 apart, marking (T0321)I77.CB as missing WARNING: atoms too close: (T0321)I82.CA and (T0321)I82.CB only 0.000 apart, marking (T0321)I82.CB as missing WARNING: atoms too close: (T0321)Y86.CA and (T0321)Y86.CB only 0.000 apart, marking (T0321)Y86.CB as missing WARNING: atoms too close: (T0321)N87.CA and (T0321)N87.CB only 0.000 apart, marking (T0321)N87.CB as missing WARNING: atoms too close: (T0321)S100.CA and (T0321)S100.CB only 0.000 apart, marking (T0321)S100.CB as missing WARNING: atoms too close: (T0321)R104.CA and (T0321)R104.CB only 0.000 apart, marking (T0321)R104.CB as missing WARNING: atoms too close: (T0321)E119.CA and (T0321)E119.CB only 0.000 apart, marking (T0321)E119.CB as missing WARNING: atoms too close: (T0321)H133.CA and (T0321)H133.CB only 0.000 apart, marking (T0321)H133.CB as missing WARNING: atoms too close: (T0321)D155.CA and (T0321)D155.CB only 0.000 apart, marking (T0321)D155.CB as missing WARNING: atoms too close: (T0321)Y156.CA and (T0321)Y156.CB only 0.000 apart, marking (T0321)Y156.CB as missing WARNING: atoms too close: (T0321)I164.CA and (T0321)I164.CB only 0.000 apart, marking (T0321)I164.CB as missing WARNING: atoms too close: (T0321)Y172.CA and (T0321)Y172.CB only 0.000 apart, marking (T0321)Y172.CB as missing WARNING: atoms too close: (T0321)T197.CA and (T0321)T197.CB only 0.000 apart, marking (T0321)T197.CB as missing WARNING: atoms too close: (T0321)L209.CA and (T0321)L209.CB only 0.000 apart, marking (T0321)L209.CB as missing WARNING: atoms too close: (T0321)E216.CA and (T0321)E216.CB only 0.000 apart, marking (T0321)E216.CB as missing WARNING: atoms too close: (T0321)K223.CA and (T0321)K223.CB only 0.000 apart, marking (T0321)K223.CB as missing WARNING: atoms too close: (T0321)F229.CA and (T0321)F229.CB only 0.000 apart, marking (T0321)F229.CB as missing WARNING: atoms too close: (T0321)S242.CA and (T0321)S242.CB only 0.000 apart, marking (T0321)S242.CB as missing # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1882005579.pdb -s /var/tmp/to_scwrl_1882005579.seq -o /var/tmp/from_scwrl_1882005579.pdb > /var/tmp/scwrl_1882005579.log sh: /var/tmp/scwrl_1882005579.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1882005579.pdb or /var/tmp/from_scwrl_1882005579.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1882005579_b.pdb or decoys//var/tmp/from_scwrl_1882005579_b.pdb.gz for input Trying /var/tmp/from_scwrl_1882005579_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1882005579_b.pdb or /var/tmp/from_scwrl_1882005579_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1882005579_a.pdb or decoys//var/tmp/from_scwrl_1882005579_a.pdb.gz for input Trying /var/tmp/from_scwrl_1882005579_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1882005579_a.pdb or /var/tmp/from_scwrl_1882005579_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1882005579.pdb or /var/tmp/from_scwrl_1882005579_b.pdb or /var/tmp/from_scwrl_1882005579_a.pdb Error: no new SCWRL conformation added # naming current conformation ROKKY_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 WARNING: atoms too close: (T0321)M1.CA and (T0321)M1.CB only 0.000 apart, marking (T0321)M1.CB as missing WARNING: atoms too close: (T0321)W2.CA and (T0321)W2.CB only 0.000 apart, marking (T0321)W2.CB as missing WARNING: atoms too close: (T0321)D6.CA and (T0321)D6.CB only 0.000 apart, marking (T0321)D6.CB as missing WARNING: atoms too close: (T0321)I9.CA and (T0321)I9.CB only 0.000 apart, marking (T0321)I9.CB as missing WARNING: atoms too close: (T0321)E14.CA and (T0321)E14.CB only 0.000 apart, marking (T0321)E14.CB as missing WARNING: atoms too close: (T0321)C23.CA and (T0321)C23.CB only 0.000 apart, marking (T0321)C23.CB as missing WARNING: atoms too close: (T0321)T26.CA and (T0321)T26.CB only 0.000 apart, marking (T0321)T26.CB as missing WARNING: atoms too close: (T0321)S32.CA and (T0321)S32.CB only 0.000 apart, marking (T0321)S32.CB as missing WARNING: atoms too close: (T0321)N34.CA and (T0321)N34.CB only 0.000 apart, marking (T0321)N34.CB as missing WARNING: atoms too close: (T0321)N41.CA and (T0321)N41.CB only 0.000 apart, marking (T0321)N41.CB as missing WARNING: atoms too close: (T0321)R42.CA and (T0321)R42.CB only 0.000 apart, marking (T0321)R42.CB as missing WARNING: atoms too close: (T0321)L51.CA and (T0321)L51.CB only 0.000 apart, marking (T0321)L51.CB as missing WARNING: atoms too close: (T0321)L56.CA and (T0321)L56.CB only 0.000 apart, marking (T0321)L56.CB as missing WARNING: atoms too close: (T0321)R61.CA and (T0321)R61.CB only 0.000 apart, marking (T0321)R61.CB as missing WARNING: atoms too close: (T0321)C66.CA and (T0321)C66.CB only 0.000 apart, marking (T0321)C66.CB as missing WARNING: atoms too close: (T0321)K68.CA and (T0321)K68.CB only 0.000 apart, marking (T0321)K68.CB as missing WARNING: atoms too close: (T0321)A84.CA and (T0321)A84.CB only 0.000 apart, marking (T0321)A84.CB as missing WARNING: atoms too close: (T0321)Y85.CA and (T0321)Y85.CB only 0.000 apart, marking (T0321)Y85.CB as missing WARNING: atoms too close: (T0321)Y86.CA and (T0321)Y86.CB only 0.000 apart, marking (T0321)Y86.CB as missing WARNING: atoms too close: (T0321)V91.CA and (T0321)V91.CB only 0.000 apart, marking (T0321)V91.CB as missing WARNING: atoms too close: (T0321)R93.CA and (T0321)R93.CB only 0.000 apart, marking (T0321)R93.CB as missing WARNING: atoms too close: (T0321)S100.CA and (T0321)S100.CB only 0.000 apart, marking (T0321)S100.CB as missing WARNING: atoms too close: (T0321)R104.CA and (T0321)R104.CB only 0.000 apart, marking (T0321)R104.CB as missing WARNING: atoms too close: (T0321)E119.CA and (T0321)E119.CB only 0.000 apart, marking (T0321)E119.CB as missing WARNING: atoms too close: (T0321)V127.CA and (T0321)V127.CB only 0.000 apart, marking (T0321)V127.CB as missing WARNING: atoms too close: (T0321)S136.CA and (T0321)S136.CB only 0.000 apart, marking (T0321)S136.CB as missing WARNING: atoms too close: (T0321)L138.CA and (T0321)L138.CB only 0.000 apart, marking (T0321)L138.CB as missing WARNING: atoms too close: (T0321)S145.CA and (T0321)S145.CB only 0.000 apart, marking (T0321)S145.CB as missing WARNING: atoms too close: (T0321)I146.CA and (T0321)I146.CB only 0.000 apart, marking (T0321)I146.CB as missing WARNING: atoms too close: (T0321)E148.CA and (T0321)E148.CB only 0.000 apart, marking (T0321)E148.CB as missing WARNING: atoms too close: (T0321)W149.CA and (T0321)W149.CB only 0.000 apart, marking (T0321)W149.CB as missing WARNING: atoms too close: (T0321)P151.CA and (T0321)P151.CB only 0.000 apart, marking (T0321)P151.CB as missing WARNING: atoms too close: (T0321)E152.CA and (T0321)E152.CB only 0.000 apart, marking (T0321)E152.CB as missing WARNING: atoms too close: (T0321)Y156.CA and (T0321)Y156.CB only 0.000 apart, marking (T0321)Y156.CB as missing WARNING: atoms too close: (T0321)L158.CA and (T0321)L158.CB only 0.000 apart, marking (T0321)L158.CB as missing WARNING: atoms too close: (T0321)L165.CA and (T0321)L165.CB only 0.000 apart, marking (T0321)L165.CB as missing WARNING: atoms too close: (T0321)Y170.CA and (T0321)Y170.CB only 0.000 apart, marking (T0321)Y170.CB as missing WARNING: atoms too close: (T0321)A176.CA and (T0321)A176.CB only 0.000 apart, marking (T0321)A176.CB as missing WARNING: atoms too close: (T0321)K181.CA and (T0321)K181.CB only 0.000 apart, marking (T0321)K181.CB as missing WARNING: atoms too close: (T0321)L186.CA and (T0321)L186.CB only 0.000 apart, marking (T0321)L186.CB as missing WARNING: atoms too close: (T0321)S190.CA and (T0321)S190.CB only 0.000 apart, marking (T0321)S190.CB as missing WARNING: atoms too close: (T0321)A193.CA and (T0321)A193.CB only 0.000 apart, marking (T0321)A193.CB as missing WARNING: atoms too close: (T0321)T197.CA and (T0321)T197.CB only 0.000 apart, marking (T0321)T197.CB as missing WARNING: atoms too close: (T0321)T203.CA and (T0321)T203.CB only 0.000 apart, marking (T0321)T203.CB as missing WARNING: atoms too close: (T0321)L205.CA and (T0321)L205.CB only 0.000 apart, marking (T0321)L205.CB as missing WARNING: atoms too close: (T0321)A206.CA and (T0321)A206.CB only 0.000 apart, marking (T0321)A206.CB as missing WARNING: atoms too close: (T0321)P207.CA and (T0321)P207.CB only 0.000 apart, marking (T0321)P207.CB as missing WARNING: atoms too close: (T0321)L209.CA and (T0321)L209.CB only 0.000 apart, marking (T0321)L209.CB as missing WARNING: atoms too close: (T0321)H212.CA and (T0321)H212.CB only 0.000 apart, marking (T0321)H212.CB as missing WARNING: atoms too close: (T0321)E216.CA and (T0321)E216.CB only 0.000 apart, marking (T0321)E216.CB as missing WARNING: atoms too close: (T0321)F220.CA and (T0321)F220.CB only 0.000 apart, marking (T0321)F220.CB as missing WARNING: atoms too close: (T0321)K239.CA and (T0321)K239.CB only 0.000 apart, marking (T0321)K239.CB as missing WARNING: atoms too close: (T0321)S242.CA and (T0321)S242.CB only 0.000 apart, marking (T0321)S242.CB as missing # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_389763162.pdb -s /var/tmp/to_scwrl_389763162.seq -o /var/tmp/from_scwrl_389763162.pdb > /var/tmp/scwrl_389763162.log sh: /var/tmp/scwrl_389763162.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_389763162.pdb or /var/tmp/from_scwrl_389763162.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_389763162_b.pdb or decoys//var/tmp/from_scwrl_389763162_b.pdb.gz for input Trying /var/tmp/from_scwrl_389763162_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_389763162_b.pdb or /var/tmp/from_scwrl_389763162_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_389763162_a.pdb or decoys//var/tmp/from_scwrl_389763162_a.pdb.gz for input Trying /var/tmp/from_scwrl_389763162_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_389763162_a.pdb or /var/tmp/from_scwrl_389763162_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_389763162.pdb or /var/tmp/from_scwrl_389763162_b.pdb or /var/tmp/from_scwrl_389763162_a.pdb Error: no new SCWRL conformation added # naming current conformation ROKKY_TS5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_323751090.pdb -s /var/tmp/to_scwrl_323751090.seq -o /var/tmp/from_scwrl_323751090.pdb > /var/tmp/scwrl_323751090.log sh: /var/tmp/scwrl_323751090.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_323751090.pdb or /var/tmp/from_scwrl_323751090.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_323751090_b.pdb or decoys//var/tmp/from_scwrl_323751090_b.pdb.gz for input Trying /var/tmp/from_scwrl_323751090_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_323751090_b.pdb or /var/tmp/from_scwrl_323751090_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_323751090_a.pdb or decoys//var/tmp/from_scwrl_323751090_a.pdb.gz for input Trying /var/tmp/from_scwrl_323751090_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_323751090_a.pdb or /var/tmp/from_scwrl_323751090_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_323751090.pdb or /var/tmp/from_scwrl_323751090_b.pdb or /var/tmp/from_scwrl_323751090_a.pdb Error: no new SCWRL conformation added # naming current conformation SAM-T02_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_681513463.pdb -s /var/tmp/to_scwrl_681513463.seq -o /var/tmp/from_scwrl_681513463.pdb > /var/tmp/scwrl_681513463.log sh: /var/tmp/scwrl_681513463.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_681513463.pdb or /var/tmp/from_scwrl_681513463.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_681513463_b.pdb or decoys//var/tmp/from_scwrl_681513463_b.pdb.gz for input Trying /var/tmp/from_scwrl_681513463_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_681513463_b.pdb or /var/tmp/from_scwrl_681513463_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_681513463_a.pdb or decoys//var/tmp/from_scwrl_681513463_a.pdb.gz for input Trying /var/tmp/from_scwrl_681513463_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_681513463_a.pdb or /var/tmp/from_scwrl_681513463_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_681513463.pdb or /var/tmp/from_scwrl_681513463_b.pdb or /var/tmp/from_scwrl_681513463_a.pdb Error: no new SCWRL conformation added # naming current conformation SAM-T02_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_769180877.pdb -s /var/tmp/to_scwrl_769180877.seq -o /var/tmp/from_scwrl_769180877.pdb > /var/tmp/scwrl_769180877.log sh: /var/tmp/scwrl_769180877.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_769180877.pdb or /var/tmp/from_scwrl_769180877.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_769180877_b.pdb or decoys//var/tmp/from_scwrl_769180877_b.pdb.gz for input Trying /var/tmp/from_scwrl_769180877_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_769180877_b.pdb or /var/tmp/from_scwrl_769180877_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_769180877_a.pdb or decoys//var/tmp/from_scwrl_769180877_a.pdb.gz for input Trying /var/tmp/from_scwrl_769180877_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_769180877_a.pdb or /var/tmp/from_scwrl_769180877_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_769180877.pdb or /var/tmp/from_scwrl_769180877_b.pdb or /var/tmp/from_scwrl_769180877_a.pdb Error: no new SCWRL conformation added # naming current conformation SAM-T02_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_391044743.pdb -s /var/tmp/to_scwrl_391044743.seq -o /var/tmp/from_scwrl_391044743.pdb > /var/tmp/scwrl_391044743.log sh: /var/tmp/scwrl_391044743.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_391044743.pdb or /var/tmp/from_scwrl_391044743.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_391044743_b.pdb or decoys//var/tmp/from_scwrl_391044743_b.pdb.gz for input Trying /var/tmp/from_scwrl_391044743_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_391044743_b.pdb or /var/tmp/from_scwrl_391044743_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_391044743_a.pdb or decoys//var/tmp/from_scwrl_391044743_a.pdb.gz for input Trying /var/tmp/from_scwrl_391044743_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_391044743_a.pdb or /var/tmp/from_scwrl_391044743_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_391044743.pdb or /var/tmp/from_scwrl_391044743_b.pdb or /var/tmp/from_scwrl_391044743_a.pdb Error: no new SCWRL conformation added # naming current conformation SAM-T02_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_774274135.pdb -s /var/tmp/to_scwrl_774274135.seq -o /var/tmp/from_scwrl_774274135.pdb > /var/tmp/scwrl_774274135.log sh: /var/tmp/scwrl_774274135.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_774274135.pdb or /var/tmp/from_scwrl_774274135.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_774274135_b.pdb or decoys//var/tmp/from_scwrl_774274135_b.pdb.gz for input Trying /var/tmp/from_scwrl_774274135_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_774274135_b.pdb or /var/tmp/from_scwrl_774274135_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_774274135_a.pdb or decoys//var/tmp/from_scwrl_774274135_a.pdb.gz for input Trying /var/tmp/from_scwrl_774274135_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_774274135_a.pdb or /var/tmp/from_scwrl_774274135_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_774274135.pdb or /var/tmp/from_scwrl_774274135_b.pdb or /var/tmp/from_scwrl_774274135_a.pdb Error: no new SCWRL conformation added # naming current conformation SAM-T02_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 247 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_798904956.pdb -s /var/tmp/to_scwrl_798904956.seq -o /var/tmp/from_scwrl_798904956.pdb > /var/tmp/scwrl_798904956.log sh: /var/tmp/scwrl_798904956.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_798904956.pdb or /var/tmp/from_scwrl_798904956.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_798904956_b.pdb or decoys//var/tmp/from_scwrl_798904956_b.pdb.gz for input Trying /var/tmp/from_scwrl_798904956_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_798904956_b.pdb or /var/tmp/from_scwrl_798904956_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_798904956_a.pdb or decoys//var/tmp/from_scwrl_798904956_a.pdb.gz for input Trying /var/tmp/from_scwrl_798904956_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_798904956_a.pdb or /var/tmp/from_scwrl_798904956_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_798904956.pdb or /var/tmp/from_scwrl_798904956_b.pdb or /var/tmp/from_scwrl_798904956_a.pdb Error: no new SCWRL conformation added # naming current conformation SAM_T06_server_TS1-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_323479477.pdb -s /var/tmp/to_scwrl_323479477.seq -o /var/tmp/from_scwrl_323479477.pdb > /var/tmp/scwrl_323479477.log sh: /var/tmp/scwrl_323479477.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_323479477.pdb or /var/tmp/from_scwrl_323479477.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_323479477_b.pdb or decoys//var/tmp/from_scwrl_323479477_b.pdb.gz for input Trying /var/tmp/from_scwrl_323479477_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_323479477_b.pdb or /var/tmp/from_scwrl_323479477_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_323479477_a.pdb or decoys//var/tmp/from_scwrl_323479477_a.pdb.gz for input Trying /var/tmp/from_scwrl_323479477_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_323479477_a.pdb or /var/tmp/from_scwrl_323479477_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_323479477.pdb or /var/tmp/from_scwrl_323479477_b.pdb or /var/tmp/from_scwrl_323479477_a.pdb Error: no new SCWRL conformation added # naming current conformation SAM_T06_server_TS2-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_701904599.pdb -s /var/tmp/to_scwrl_701904599.seq -o /var/tmp/from_scwrl_701904599.pdb > /var/tmp/scwrl_701904599.log sh: /var/tmp/scwrl_701904599.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_701904599.pdb or /var/tmp/from_scwrl_701904599.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_701904599_b.pdb or decoys//var/tmp/from_scwrl_701904599_b.pdb.gz for input Trying /var/tmp/from_scwrl_701904599_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_701904599_b.pdb or /var/tmp/from_scwrl_701904599_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_701904599_a.pdb or decoys//var/tmp/from_scwrl_701904599_a.pdb.gz for input Trying /var/tmp/from_scwrl_701904599_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_701904599_a.pdb or /var/tmp/from_scwrl_701904599_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_701904599.pdb or /var/tmp/from_scwrl_701904599_b.pdb or /var/tmp/from_scwrl_701904599_a.pdb Error: no new SCWRL conformation added # naming current conformation SAM_T06_server_TS3-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_817796174.pdb -s /var/tmp/to_scwrl_817796174.seq -o /var/tmp/from_scwrl_817796174.pdb > /var/tmp/scwrl_817796174.log sh: /var/tmp/scwrl_817796174.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_817796174.pdb or /var/tmp/from_scwrl_817796174.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_817796174_b.pdb or decoys//var/tmp/from_scwrl_817796174_b.pdb.gz for input Trying /var/tmp/from_scwrl_817796174_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_817796174_b.pdb or /var/tmp/from_scwrl_817796174_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_817796174_a.pdb or decoys//var/tmp/from_scwrl_817796174_a.pdb.gz for input Trying /var/tmp/from_scwrl_817796174_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_817796174_a.pdb or /var/tmp/from_scwrl_817796174_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_817796174.pdb or /var/tmp/from_scwrl_817796174_b.pdb or /var/tmp/from_scwrl_817796174_a.pdb Error: no new SCWRL conformation added # naming current conformation SAM_T06_server_TS4-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_2085820388.pdb -s /var/tmp/to_scwrl_2085820388.seq -o /var/tmp/from_scwrl_2085820388.pdb > /var/tmp/scwrl_2085820388.log sh: /var/tmp/scwrl_2085820388.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2085820388.pdb or /var/tmp/from_scwrl_2085820388.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2085820388_b.pdb or decoys//var/tmp/from_scwrl_2085820388_b.pdb.gz for input Trying /var/tmp/from_scwrl_2085820388_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2085820388_b.pdb or /var/tmp/from_scwrl_2085820388_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2085820388_a.pdb or decoys//var/tmp/from_scwrl_2085820388_a.pdb.gz for input Trying /var/tmp/from_scwrl_2085820388_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2085820388_a.pdb or /var/tmp/from_scwrl_2085820388_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2085820388.pdb or /var/tmp/from_scwrl_2085820388_b.pdb or /var/tmp/from_scwrl_2085820388_a.pdb Error: no new SCWRL conformation added # naming current conformation SAM_T06_server_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS1.pdb.gz looking for model 1 # Found a chain break before 236 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1758114500.pdb -s /var/tmp/to_scwrl_1758114500.seq -o /var/tmp/from_scwrl_1758114500.pdb > /var/tmp/scwrl_1758114500.log sh: /var/tmp/scwrl_1758114500.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1758114500.pdb or /var/tmp/from_scwrl_1758114500.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1758114500_b.pdb or decoys//var/tmp/from_scwrl_1758114500_b.pdb.gz for input Trying /var/tmp/from_scwrl_1758114500_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1758114500_b.pdb or /var/tmp/from_scwrl_1758114500_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1758114500_a.pdb or decoys//var/tmp/from_scwrl_1758114500_a.pdb.gz for input Trying /var/tmp/from_scwrl_1758114500_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1758114500_a.pdb or /var/tmp/from_scwrl_1758114500_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1758114500.pdb or /var/tmp/from_scwrl_1758114500_b.pdb or /var/tmp/from_scwrl_1758114500_a.pdb Error: no new SCWRL conformation added # naming current conformation SP3_TS1-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS2.pdb.gz looking for model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_2016530218.pdb -s /var/tmp/to_scwrl_2016530218.seq -o /var/tmp/from_scwrl_2016530218.pdb > /var/tmp/scwrl_2016530218.log sh: /var/tmp/scwrl_2016530218.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2016530218.pdb or /var/tmp/from_scwrl_2016530218.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2016530218_b.pdb or decoys//var/tmp/from_scwrl_2016530218_b.pdb.gz for input Trying /var/tmp/from_scwrl_2016530218_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2016530218_b.pdb or /var/tmp/from_scwrl_2016530218_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2016530218_a.pdb or decoys//var/tmp/from_scwrl_2016530218_a.pdb.gz for input Trying /var/tmp/from_scwrl_2016530218_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2016530218_a.pdb or /var/tmp/from_scwrl_2016530218_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2016530218.pdb or /var/tmp/from_scwrl_2016530218_b.pdb or /var/tmp/from_scwrl_2016530218_a.pdb Error: no new SCWRL conformation added # naming current conformation SP3_TS2-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS3.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1137303487.pdb -s /var/tmp/to_scwrl_1137303487.seq -o /var/tmp/from_scwrl_1137303487.pdb > /var/tmp/scwrl_1137303487.log sh: /var/tmp/scwrl_1137303487.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1137303487.pdb or /var/tmp/from_scwrl_1137303487.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1137303487_b.pdb or decoys//var/tmp/from_scwrl_1137303487_b.pdb.gz for input Trying /var/tmp/from_scwrl_1137303487_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1137303487_b.pdb or /var/tmp/from_scwrl_1137303487_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1137303487_a.pdb or decoys//var/tmp/from_scwrl_1137303487_a.pdb.gz for input Trying /var/tmp/from_scwrl_1137303487_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1137303487_a.pdb or /var/tmp/from_scwrl_1137303487_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1137303487.pdb or /var/tmp/from_scwrl_1137303487_b.pdb or /var/tmp/from_scwrl_1137303487_a.pdb Error: no new SCWRL conformation added # naming current conformation SP3_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS4.pdb.gz looking for model 1 # Found a chain break before 167 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_685853751.pdb -s /var/tmp/to_scwrl_685853751.seq -o /var/tmp/from_scwrl_685853751.pdb > /var/tmp/scwrl_685853751.log sh: /var/tmp/scwrl_685853751.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_685853751.pdb or /var/tmp/from_scwrl_685853751.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_685853751_b.pdb or decoys//var/tmp/from_scwrl_685853751_b.pdb.gz for input Trying /var/tmp/from_scwrl_685853751_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_685853751_b.pdb or /var/tmp/from_scwrl_685853751_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_685853751_a.pdb or decoys//var/tmp/from_scwrl_685853751_a.pdb.gz for input Trying /var/tmp/from_scwrl_685853751_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_685853751_a.pdb or /var/tmp/from_scwrl_685853751_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_685853751.pdb or /var/tmp/from_scwrl_685853751_b.pdb or /var/tmp/from_scwrl_685853751_a.pdb Error: no new SCWRL conformation added # naming current conformation SP3_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS5.pdb.gz looking for model 1 # Found a chain break before 216 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1671795131.pdb -s /var/tmp/to_scwrl_1671795131.seq -o /var/tmp/from_scwrl_1671795131.pdb > /var/tmp/scwrl_1671795131.log sh: /var/tmp/scwrl_1671795131.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1671795131.pdb or /var/tmp/from_scwrl_1671795131.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1671795131_b.pdb or decoys//var/tmp/from_scwrl_1671795131_b.pdb.gz for input Trying /var/tmp/from_scwrl_1671795131_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1671795131_b.pdb or /var/tmp/from_scwrl_1671795131_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1671795131_a.pdb or decoys//var/tmp/from_scwrl_1671795131_a.pdb.gz for input Trying /var/tmp/from_scwrl_1671795131_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1671795131_a.pdb or /var/tmp/from_scwrl_1671795131_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1671795131.pdb or /var/tmp/from_scwrl_1671795131_b.pdb or /var/tmp/from_scwrl_1671795131_a.pdb Error: no new SCWRL conformation added # naming current conformation SP3_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS1.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_172637580.pdb -s /var/tmp/to_scwrl_172637580.seq -o /var/tmp/from_scwrl_172637580.pdb > /var/tmp/scwrl_172637580.log sh: /var/tmp/scwrl_172637580.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_172637580.pdb or /var/tmp/from_scwrl_172637580.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_172637580_b.pdb or decoys//var/tmp/from_scwrl_172637580_b.pdb.gz for input Trying /var/tmp/from_scwrl_172637580_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_172637580_b.pdb or /var/tmp/from_scwrl_172637580_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_172637580_a.pdb or decoys//var/tmp/from_scwrl_172637580_a.pdb.gz for input Trying /var/tmp/from_scwrl_172637580_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_172637580_a.pdb or /var/tmp/from_scwrl_172637580_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_172637580.pdb or /var/tmp/from_scwrl_172637580_b.pdb or /var/tmp/from_scwrl_172637580_a.pdb Error: no new SCWRL conformation added # naming current conformation SP4_TS1-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS2.pdb.gz looking for model 1 # Found a chain break before 205 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1287334109.pdb -s /var/tmp/to_scwrl_1287334109.seq -o /var/tmp/from_scwrl_1287334109.pdb > /var/tmp/scwrl_1287334109.log sh: /var/tmp/scwrl_1287334109.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1287334109.pdb or /var/tmp/from_scwrl_1287334109.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1287334109_b.pdb or decoys//var/tmp/from_scwrl_1287334109_b.pdb.gz for input Trying /var/tmp/from_scwrl_1287334109_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1287334109_b.pdb or /var/tmp/from_scwrl_1287334109_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1287334109_a.pdb or decoys//var/tmp/from_scwrl_1287334109_a.pdb.gz for input Trying /var/tmp/from_scwrl_1287334109_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1287334109_a.pdb or /var/tmp/from_scwrl_1287334109_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1287334109.pdb or /var/tmp/from_scwrl_1287334109_b.pdb or /var/tmp/from_scwrl_1287334109_a.pdb Error: no new SCWRL conformation added # naming current conformation SP4_TS2-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS3.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1807161239.pdb -s /var/tmp/to_scwrl_1807161239.seq -o /var/tmp/from_scwrl_1807161239.pdb > /var/tmp/scwrl_1807161239.log sh: /var/tmp/scwrl_1807161239.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1807161239.pdb or /var/tmp/from_scwrl_1807161239.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1807161239_b.pdb or decoys//var/tmp/from_scwrl_1807161239_b.pdb.gz for input Trying /var/tmp/from_scwrl_1807161239_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1807161239_b.pdb or /var/tmp/from_scwrl_1807161239_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1807161239_a.pdb or decoys//var/tmp/from_scwrl_1807161239_a.pdb.gz for input Trying /var/tmp/from_scwrl_1807161239_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1807161239_a.pdb or /var/tmp/from_scwrl_1807161239_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1807161239.pdb or /var/tmp/from_scwrl_1807161239_b.pdb or /var/tmp/from_scwrl_1807161239_a.pdb Error: no new SCWRL conformation added # naming current conformation SP4_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS4.pdb.gz looking for model 1 # Found a chain break before 202 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1989499471.pdb -s /var/tmp/to_scwrl_1989499471.seq -o /var/tmp/from_scwrl_1989499471.pdb > /var/tmp/scwrl_1989499471.log sh: /var/tmp/scwrl_1989499471.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1989499471.pdb or /var/tmp/from_scwrl_1989499471.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1989499471_b.pdb or decoys//var/tmp/from_scwrl_1989499471_b.pdb.gz for input Trying /var/tmp/from_scwrl_1989499471_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1989499471_b.pdb or /var/tmp/from_scwrl_1989499471_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1989499471_a.pdb or decoys//var/tmp/from_scwrl_1989499471_a.pdb.gz for input Trying /var/tmp/from_scwrl_1989499471_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1989499471_a.pdb or /var/tmp/from_scwrl_1989499471_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1989499471.pdb or /var/tmp/from_scwrl_1989499471_b.pdb or /var/tmp/from_scwrl_1989499471_a.pdb Error: no new SCWRL conformation added # naming current conformation SP4_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS5.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_652684343.pdb -s /var/tmp/to_scwrl_652684343.seq -o /var/tmp/from_scwrl_652684343.pdb > /var/tmp/scwrl_652684343.log sh: /var/tmp/scwrl_652684343.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_652684343.pdb or /var/tmp/from_scwrl_652684343.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_652684343_b.pdb or decoys//var/tmp/from_scwrl_652684343_b.pdb.gz for input Trying /var/tmp/from_scwrl_652684343_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_652684343_b.pdb or /var/tmp/from_scwrl_652684343_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_652684343_a.pdb or decoys//var/tmp/from_scwrl_652684343_a.pdb.gz for input Trying /var/tmp/from_scwrl_652684343_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_652684343_a.pdb or /var/tmp/from_scwrl_652684343_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_652684343.pdb or /var/tmp/from_scwrl_652684343_b.pdb or /var/tmp/from_scwrl_652684343_a.pdb Error: no new SCWRL conformation added # naming current conformation SP4_TS5-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS1.pdb.gz looking for model 1 # Found a chain break before 231 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1645561371.pdb -s /var/tmp/to_scwrl_1645561371.seq -o /var/tmp/from_scwrl_1645561371.pdb > /var/tmp/scwrl_1645561371.log sh: /var/tmp/scwrl_1645561371.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1645561371.pdb or /var/tmp/from_scwrl_1645561371.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1645561371_b.pdb or decoys//var/tmp/from_scwrl_1645561371_b.pdb.gz for input Trying /var/tmp/from_scwrl_1645561371_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1645561371_b.pdb or /var/tmp/from_scwrl_1645561371_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1645561371_a.pdb or decoys//var/tmp/from_scwrl_1645561371_a.pdb.gz for input Trying /var/tmp/from_scwrl_1645561371_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1645561371_a.pdb or /var/tmp/from_scwrl_1645561371_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1645561371.pdb or /var/tmp/from_scwrl_1645561371_b.pdb or /var/tmp/from_scwrl_1645561371_a.pdb Error: no new SCWRL conformation added # naming current conformation SPARKS2_TS1-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS2.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_2075937585.pdb -s /var/tmp/to_scwrl_2075937585.seq -o /var/tmp/from_scwrl_2075937585.pdb > /var/tmp/scwrl_2075937585.log sh: /var/tmp/scwrl_2075937585.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2075937585.pdb or /var/tmp/from_scwrl_2075937585.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2075937585_b.pdb or decoys//var/tmp/from_scwrl_2075937585_b.pdb.gz for input Trying /var/tmp/from_scwrl_2075937585_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2075937585_b.pdb or /var/tmp/from_scwrl_2075937585_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2075937585_a.pdb or decoys//var/tmp/from_scwrl_2075937585_a.pdb.gz for input Trying /var/tmp/from_scwrl_2075937585_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2075937585_a.pdb or /var/tmp/from_scwrl_2075937585_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2075937585.pdb or /var/tmp/from_scwrl_2075937585_b.pdb or /var/tmp/from_scwrl_2075937585_a.pdb Error: no new SCWRL conformation added # naming current conformation SPARKS2_TS2-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS3.pdb.gz looking for model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_2060494367.pdb -s /var/tmp/to_scwrl_2060494367.seq -o /var/tmp/from_scwrl_2060494367.pdb > /var/tmp/scwrl_2060494367.log sh: /var/tmp/scwrl_2060494367.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2060494367.pdb or /var/tmp/from_scwrl_2060494367.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2060494367_b.pdb or decoys//var/tmp/from_scwrl_2060494367_b.pdb.gz for input Trying /var/tmp/from_scwrl_2060494367_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2060494367_b.pdb or /var/tmp/from_scwrl_2060494367_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2060494367_a.pdb or decoys//var/tmp/from_scwrl_2060494367_a.pdb.gz for input Trying /var/tmp/from_scwrl_2060494367_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2060494367_a.pdb or /var/tmp/from_scwrl_2060494367_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2060494367.pdb or /var/tmp/from_scwrl_2060494367_b.pdb or /var/tmp/from_scwrl_2060494367_a.pdb Error: no new SCWRL conformation added # naming current conformation SPARKS2_TS3-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS4.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_954187333.pdb -s /var/tmp/to_scwrl_954187333.seq -o /var/tmp/from_scwrl_954187333.pdb > /var/tmp/scwrl_954187333.log sh: /var/tmp/scwrl_954187333.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_954187333.pdb or /var/tmp/from_scwrl_954187333.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_954187333_b.pdb or decoys//var/tmp/from_scwrl_954187333_b.pdb.gz for input Trying /var/tmp/from_scwrl_954187333_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_954187333_b.pdb or /var/tmp/from_scwrl_954187333_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_954187333_a.pdb or decoys//var/tmp/from_scwrl_954187333_a.pdb.gz for input Trying /var/tmp/from_scwrl_954187333_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_954187333_a.pdb or /var/tmp/from_scwrl_954187333_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_954187333.pdb or /var/tmp/from_scwrl_954187333_b.pdb or /var/tmp/from_scwrl_954187333_a.pdb Error: no new SCWRL conformation added # naming current conformation SPARKS2_TS4-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS5.pdb.gz looking for model 1 # Found a chain break before 239 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_2027646106.pdb -s /var/tmp/to_scwrl_2027646106.seq -o /var/tmp/from_scwrl_2027646106.pdb > /var/tmp/scwrl_2027646106.log sh: /var/tmp/scwrl_2027646106.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2027646106.pdb or /var/tmp/from_scwrl_2027646106.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2027646106_b.pdb or decoys//var/tmp/from_scwrl_2027646106_b.pdb.gz for input Trying /var/tmp/from_scwrl_2027646106_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2027646106_b.pdb or /var/tmp/from_scwrl_2027646106_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2027646106_a.pdb or decoys//var/tmp/from_scwrl_2027646106_a.pdb.gz for input Trying /var/tmp/from_scwrl_2027646106_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2027646106_a.pdb or /var/tmp/from_scwrl_2027646106_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2027646106.pdb or /var/tmp/from_scwrl_2027646106_b.pdb or /var/tmp/from_scwrl_2027646106_a.pdb Error: no new SCWRL conformation added # naming current conformation SPARKS2_TS5-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1674550822.pdb -s /var/tmp/to_scwrl_1674550822.seq -o /var/tmp/from_scwrl_1674550822.pdb > /var/tmp/scwrl_1674550822.log sh: /var/tmp/scwrl_1674550822.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1674550822.pdb or /var/tmp/from_scwrl_1674550822.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1674550822_b.pdb or decoys//var/tmp/from_scwrl_1674550822_b.pdb.gz for input Trying /var/tmp/from_scwrl_1674550822_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1674550822_b.pdb or /var/tmp/from_scwrl_1674550822_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1674550822_a.pdb or decoys//var/tmp/from_scwrl_1674550822_a.pdb.gz for input Trying /var/tmp/from_scwrl_1674550822_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1674550822_a.pdb or /var/tmp/from_scwrl_1674550822_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1674550822.pdb or /var/tmp/from_scwrl_1674550822_b.pdb or /var/tmp/from_scwrl_1674550822_a.pdb Error: no new SCWRL conformation added # naming current conformation UNI-EID_bnmx_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1599218643.pdb -s /var/tmp/to_scwrl_1599218643.seq -o /var/tmp/from_scwrl_1599218643.pdb > /var/tmp/scwrl_1599218643.log sh: /var/tmp/scwrl_1599218643.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1599218643.pdb or /var/tmp/from_scwrl_1599218643.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1599218643_b.pdb or decoys//var/tmp/from_scwrl_1599218643_b.pdb.gz for input Trying /var/tmp/from_scwrl_1599218643_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1599218643_b.pdb or /var/tmp/from_scwrl_1599218643_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1599218643_a.pdb or decoys//var/tmp/from_scwrl_1599218643_a.pdb.gz for input Trying /var/tmp/from_scwrl_1599218643_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1599218643_a.pdb or /var/tmp/from_scwrl_1599218643_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1599218643.pdb or /var/tmp/from_scwrl_1599218643_b.pdb or /var/tmp/from_scwrl_1599218643_a.pdb Error: no new SCWRL conformation added # naming current conformation UNI-EID_bnmx_TS2-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1828853451.pdb -s /var/tmp/to_scwrl_1828853451.seq -o /var/tmp/from_scwrl_1828853451.pdb > /var/tmp/scwrl_1828853451.log sh: /var/tmp/scwrl_1828853451.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1828853451.pdb or /var/tmp/from_scwrl_1828853451.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1828853451_b.pdb or decoys//var/tmp/from_scwrl_1828853451_b.pdb.gz for input Trying /var/tmp/from_scwrl_1828853451_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1828853451_b.pdb or /var/tmp/from_scwrl_1828853451_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1828853451_a.pdb or decoys//var/tmp/from_scwrl_1828853451_a.pdb.gz for input Trying /var/tmp/from_scwrl_1828853451_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1828853451_a.pdb or /var/tmp/from_scwrl_1828853451_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1828853451.pdb or /var/tmp/from_scwrl_1828853451_b.pdb or /var/tmp/from_scwrl_1828853451_a.pdb Error: no new SCWRL conformation added # naming current conformation UNI-EID_bnmx_TS3-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_314608769.pdb -s /var/tmp/to_scwrl_314608769.seq -o /var/tmp/from_scwrl_314608769.pdb > /var/tmp/scwrl_314608769.log sh: /var/tmp/scwrl_314608769.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_314608769.pdb or /var/tmp/from_scwrl_314608769.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_314608769_b.pdb or decoys//var/tmp/from_scwrl_314608769_b.pdb.gz for input Trying /var/tmp/from_scwrl_314608769_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_314608769_b.pdb or /var/tmp/from_scwrl_314608769_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_314608769_a.pdb or decoys//var/tmp/from_scwrl_314608769_a.pdb.gz for input Trying /var/tmp/from_scwrl_314608769_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_314608769_a.pdb or /var/tmp/from_scwrl_314608769_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_314608769.pdb or /var/tmp/from_scwrl_314608769_b.pdb or /var/tmp/from_scwrl_314608769_a.pdb Error: no new SCWRL conformation added # naming current conformation UNI-EID_bnmx_TS4-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1333740575.pdb -s /var/tmp/to_scwrl_1333740575.seq -o /var/tmp/from_scwrl_1333740575.pdb > /var/tmp/scwrl_1333740575.log sh: /var/tmp/scwrl_1333740575.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1333740575.pdb or /var/tmp/from_scwrl_1333740575.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1333740575_b.pdb or decoys//var/tmp/from_scwrl_1333740575_b.pdb.gz for input Trying /var/tmp/from_scwrl_1333740575_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1333740575_b.pdb or /var/tmp/from_scwrl_1333740575_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1333740575_a.pdb or decoys//var/tmp/from_scwrl_1333740575_a.pdb.gz for input Trying /var/tmp/from_scwrl_1333740575_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1333740575_a.pdb or /var/tmp/from_scwrl_1333740575_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1333740575.pdb or /var/tmp/from_scwrl_1333740575_b.pdb or /var/tmp/from_scwrl_1333740575_a.pdb Error: no new SCWRL conformation added # naming current conformation UNI-EID_bnmx_TS5-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_expm_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_71132966.pdb -s /var/tmp/to_scwrl_71132966.seq -o /var/tmp/from_scwrl_71132966.pdb > /var/tmp/scwrl_71132966.log sh: /var/tmp/scwrl_71132966.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_71132966.pdb or /var/tmp/from_scwrl_71132966.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_71132966_b.pdb or decoys//var/tmp/from_scwrl_71132966_b.pdb.gz for input Trying /var/tmp/from_scwrl_71132966_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_71132966_b.pdb or /var/tmp/from_scwrl_71132966_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_71132966_a.pdb or decoys//var/tmp/from_scwrl_71132966_a.pdb.gz for input Trying /var/tmp/from_scwrl_71132966_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_71132966_a.pdb or /var/tmp/from_scwrl_71132966_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_71132966.pdb or /var/tmp/from_scwrl_71132966_b.pdb or /var/tmp/from_scwrl_71132966_a.pdb Error: no new SCWRL conformation added # naming current conformation UNI-EID_expm_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_638359859.pdb -s /var/tmp/to_scwrl_638359859.seq -o /var/tmp/from_scwrl_638359859.pdb > /var/tmp/scwrl_638359859.log sh: /var/tmp/scwrl_638359859.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_638359859.pdb or /var/tmp/from_scwrl_638359859.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_638359859_b.pdb or decoys//var/tmp/from_scwrl_638359859_b.pdb.gz for input Trying /var/tmp/from_scwrl_638359859_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_638359859_b.pdb or /var/tmp/from_scwrl_638359859_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_638359859_a.pdb or decoys//var/tmp/from_scwrl_638359859_a.pdb.gz for input Trying /var/tmp/from_scwrl_638359859_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_638359859_a.pdb or /var/tmp/from_scwrl_638359859_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_638359859.pdb or /var/tmp/from_scwrl_638359859_b.pdb or /var/tmp/from_scwrl_638359859_a.pdb Error: no new SCWRL conformation added # naming current conformation UNI-EID_sfst_AL1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_2015254038.pdb -s /var/tmp/to_scwrl_2015254038.seq -o /var/tmp/from_scwrl_2015254038.pdb > /var/tmp/scwrl_2015254038.log sh: /var/tmp/scwrl_2015254038.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2015254038.pdb or /var/tmp/from_scwrl_2015254038.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2015254038_b.pdb or decoys//var/tmp/from_scwrl_2015254038_b.pdb.gz for input Trying /var/tmp/from_scwrl_2015254038_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2015254038_b.pdb or /var/tmp/from_scwrl_2015254038_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2015254038_a.pdb or decoys//var/tmp/from_scwrl_2015254038_a.pdb.gz for input Trying /var/tmp/from_scwrl_2015254038_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2015254038_a.pdb or /var/tmp/from_scwrl_2015254038_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2015254038.pdb or /var/tmp/from_scwrl_2015254038_b.pdb or /var/tmp/from_scwrl_2015254038_a.pdb Error: no new SCWRL conformation added # naming current conformation UNI-EID_sfst_AL2-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_840313843.pdb -s /var/tmp/to_scwrl_840313843.seq -o /var/tmp/from_scwrl_840313843.pdb > /var/tmp/scwrl_840313843.log sh: /var/tmp/scwrl_840313843.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_840313843.pdb or /var/tmp/from_scwrl_840313843.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_840313843_b.pdb or decoys//var/tmp/from_scwrl_840313843_b.pdb.gz for input Trying /var/tmp/from_scwrl_840313843_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_840313843_b.pdb or /var/tmp/from_scwrl_840313843_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_840313843_a.pdb or decoys//var/tmp/from_scwrl_840313843_a.pdb.gz for input Trying /var/tmp/from_scwrl_840313843_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_840313843_a.pdb or /var/tmp/from_scwrl_840313843_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_840313843.pdb or /var/tmp/from_scwrl_840313843_b.pdb or /var/tmp/from_scwrl_840313843_a.pdb Error: no new SCWRL conformation added # naming current conformation UNI-EID_sfst_AL3-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1029404603.pdb -s /var/tmp/to_scwrl_1029404603.seq -o /var/tmp/from_scwrl_1029404603.pdb > /var/tmp/scwrl_1029404603.log sh: /var/tmp/scwrl_1029404603.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1029404603.pdb or /var/tmp/from_scwrl_1029404603.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1029404603_b.pdb or decoys//var/tmp/from_scwrl_1029404603_b.pdb.gz for input Trying /var/tmp/from_scwrl_1029404603_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1029404603_b.pdb or /var/tmp/from_scwrl_1029404603_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1029404603_a.pdb or decoys//var/tmp/from_scwrl_1029404603_a.pdb.gz for input Trying /var/tmp/from_scwrl_1029404603_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1029404603_a.pdb or /var/tmp/from_scwrl_1029404603_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1029404603.pdb or /var/tmp/from_scwrl_1029404603_b.pdb or /var/tmp/from_scwrl_1029404603_a.pdb Error: no new SCWRL conformation added # naming current conformation UNI-EID_sfst_AL4-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_642044526.pdb -s /var/tmp/to_scwrl_642044526.seq -o /var/tmp/from_scwrl_642044526.pdb > /var/tmp/scwrl_642044526.log sh: /var/tmp/scwrl_642044526.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_642044526.pdb or /var/tmp/from_scwrl_642044526.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_642044526_b.pdb or decoys//var/tmp/from_scwrl_642044526_b.pdb.gz for input Trying /var/tmp/from_scwrl_642044526_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_642044526_b.pdb or /var/tmp/from_scwrl_642044526_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_642044526_a.pdb or decoys//var/tmp/from_scwrl_642044526_a.pdb.gz for input Trying /var/tmp/from_scwrl_642044526_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_642044526_a.pdb or /var/tmp/from_scwrl_642044526_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_642044526.pdb or /var/tmp/from_scwrl_642044526_b.pdb or /var/tmp/from_scwrl_642044526_a.pdb Error: no new SCWRL conformation added # naming current conformation UNI-EID_sfst_AL5-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 247 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1639218799.pdb -s /var/tmp/to_scwrl_1639218799.seq -o /var/tmp/from_scwrl_1639218799.pdb > /var/tmp/scwrl_1639218799.log sh: /var/tmp/scwrl_1639218799.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1639218799.pdb or /var/tmp/from_scwrl_1639218799.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1639218799_b.pdb or decoys//var/tmp/from_scwrl_1639218799_b.pdb.gz for input Trying /var/tmp/from_scwrl_1639218799_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1639218799_b.pdb or /var/tmp/from_scwrl_1639218799_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1639218799_a.pdb or decoys//var/tmp/from_scwrl_1639218799_a.pdb.gz for input Trying /var/tmp/from_scwrl_1639218799_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1639218799_a.pdb or /var/tmp/from_scwrl_1639218799_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1639218799.pdb or /var/tmp/from_scwrl_1639218799_b.pdb or /var/tmp/from_scwrl_1639218799_a.pdb Error: no new SCWRL conformation added # naming current conformation Zhang-Server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS2.pdb.gz looking for model 1 # Found a chain break before 247 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1352884079.pdb -s /var/tmp/to_scwrl_1352884079.seq -o /var/tmp/from_scwrl_1352884079.pdb > /var/tmp/scwrl_1352884079.log sh: /var/tmp/scwrl_1352884079.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1352884079.pdb or /var/tmp/from_scwrl_1352884079.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1352884079_b.pdb or decoys//var/tmp/from_scwrl_1352884079_b.pdb.gz for input Trying /var/tmp/from_scwrl_1352884079_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1352884079_b.pdb or /var/tmp/from_scwrl_1352884079_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1352884079_a.pdb or decoys//var/tmp/from_scwrl_1352884079_a.pdb.gz for input Trying /var/tmp/from_scwrl_1352884079_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1352884079_a.pdb or /var/tmp/from_scwrl_1352884079_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1352884079.pdb or /var/tmp/from_scwrl_1352884079_b.pdb or /var/tmp/from_scwrl_1352884079_a.pdb Error: no new SCWRL conformation added # naming current conformation Zhang-Server_TS2-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS3.pdb.gz looking for model 1 # Found a chain break before 249 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1343949124.pdb -s /var/tmp/to_scwrl_1343949124.seq -o /var/tmp/from_scwrl_1343949124.pdb > /var/tmp/scwrl_1343949124.log sh: /var/tmp/scwrl_1343949124.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1343949124.pdb or /var/tmp/from_scwrl_1343949124.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1343949124_b.pdb or decoys//var/tmp/from_scwrl_1343949124_b.pdb.gz for input Trying /var/tmp/from_scwrl_1343949124_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1343949124_b.pdb or /var/tmp/from_scwrl_1343949124_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1343949124_a.pdb or decoys//var/tmp/from_scwrl_1343949124_a.pdb.gz for input Trying /var/tmp/from_scwrl_1343949124_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1343949124_a.pdb or /var/tmp/from_scwrl_1343949124_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1343949124.pdb or /var/tmp/from_scwrl_1343949124_b.pdb or /var/tmp/from_scwrl_1343949124_a.pdb Error: no new SCWRL conformation added # naming current conformation Zhang-Server_TS3-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS4.pdb.gz looking for model 1 # Found a chain break before 209 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_309531326.pdb -s /var/tmp/to_scwrl_309531326.seq -o /var/tmp/from_scwrl_309531326.pdb > /var/tmp/scwrl_309531326.log sh: /var/tmp/scwrl_309531326.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_309531326.pdb or /var/tmp/from_scwrl_309531326.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_309531326_b.pdb or decoys//var/tmp/from_scwrl_309531326_b.pdb.gz for input Trying /var/tmp/from_scwrl_309531326_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_309531326_b.pdb or /var/tmp/from_scwrl_309531326_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_309531326_a.pdb or decoys//var/tmp/from_scwrl_309531326_a.pdb.gz for input Trying /var/tmp/from_scwrl_309531326_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_309531326_a.pdb or /var/tmp/from_scwrl_309531326_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_309531326.pdb or /var/tmp/from_scwrl_309531326_b.pdb or /var/tmp/from_scwrl_309531326_a.pdb Error: no new SCWRL conformation added # naming current conformation Zhang-Server_TS4-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS5.pdb.gz looking for model 1 # Found a chain break before 244 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1291220821.pdb -s /var/tmp/to_scwrl_1291220821.seq -o /var/tmp/from_scwrl_1291220821.pdb > /var/tmp/scwrl_1291220821.log sh: /var/tmp/scwrl_1291220821.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1291220821.pdb or /var/tmp/from_scwrl_1291220821.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1291220821_b.pdb or decoys//var/tmp/from_scwrl_1291220821_b.pdb.gz for input Trying /var/tmp/from_scwrl_1291220821_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1291220821_b.pdb or /var/tmp/from_scwrl_1291220821_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1291220821_a.pdb or decoys//var/tmp/from_scwrl_1291220821_a.pdb.gz for input Trying /var/tmp/from_scwrl_1291220821_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1291220821_a.pdb or /var/tmp/from_scwrl_1291220821_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1291220821.pdb or /var/tmp/from_scwrl_1291220821_b.pdb or /var/tmp/from_scwrl_1291220821_a.pdb Error: no new SCWRL conformation added # naming current conformation Zhang-Server_TS5-scwrl # ReadConformPDB reading from PDB file servers/beautshot_TS1.pdb.gz looking for model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_954579978.pdb -s /var/tmp/to_scwrl_954579978.seq -o /var/tmp/from_scwrl_954579978.pdb > /var/tmp/scwrl_954579978.log sh: /var/tmp/scwrl_954579978.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_954579978.pdb or /var/tmp/from_scwrl_954579978.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_954579978_b.pdb or decoys//var/tmp/from_scwrl_954579978_b.pdb.gz for input Trying /var/tmp/from_scwrl_954579978_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_954579978_b.pdb or /var/tmp/from_scwrl_954579978_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_954579978_a.pdb or decoys//var/tmp/from_scwrl_954579978_a.pdb.gz for input Trying /var/tmp/from_scwrl_954579978_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_954579978_a.pdb or /var/tmp/from_scwrl_954579978_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_954579978.pdb or /var/tmp/from_scwrl_954579978_b.pdb or /var/tmp/from_scwrl_954579978_a.pdb Error: no new SCWRL conformation added # naming current conformation beautshot_TS1-scwrl # ReadConformPDB reading from PDB file servers/beautshotbase_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_178577897.pdb -s /var/tmp/to_scwrl_178577897.seq -o /var/tmp/from_scwrl_178577897.pdb > /var/tmp/scwrl_178577897.log sh: /var/tmp/scwrl_178577897.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_178577897.pdb or /var/tmp/from_scwrl_178577897.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_178577897_b.pdb or decoys//var/tmp/from_scwrl_178577897_b.pdb.gz for input Trying /var/tmp/from_scwrl_178577897_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_178577897_b.pdb or /var/tmp/from_scwrl_178577897_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_178577897_a.pdb or decoys//var/tmp/from_scwrl_178577897_a.pdb.gz for input Trying /var/tmp/from_scwrl_178577897_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_178577897_a.pdb or /var/tmp/from_scwrl_178577897_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_178577897.pdb or /var/tmp/from_scwrl_178577897_b.pdb or /var/tmp/from_scwrl_178577897_a.pdb Error: no new SCWRL conformation added # naming current conformation beautshotbase_TS1-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_281040662.pdb -s /var/tmp/to_scwrl_281040662.seq -o /var/tmp/from_scwrl_281040662.pdb > /var/tmp/scwrl_281040662.log sh: /var/tmp/scwrl_281040662.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_281040662.pdb or /var/tmp/from_scwrl_281040662.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_281040662_b.pdb or decoys//var/tmp/from_scwrl_281040662_b.pdb.gz for input Trying /var/tmp/from_scwrl_281040662_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_281040662_b.pdb or /var/tmp/from_scwrl_281040662_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_281040662_a.pdb or decoys//var/tmp/from_scwrl_281040662_a.pdb.gz for input Trying /var/tmp/from_scwrl_281040662_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_281040662_a.pdb or /var/tmp/from_scwrl_281040662_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_281040662.pdb or /var/tmp/from_scwrl_281040662_b.pdb or /var/tmp/from_scwrl_281040662_a.pdb Error: no new SCWRL conformation added # naming current conformation forecast-s_AL1-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1640433729.pdb -s /var/tmp/to_scwrl_1640433729.seq -o /var/tmp/from_scwrl_1640433729.pdb > /var/tmp/scwrl_1640433729.log sh: /var/tmp/scwrl_1640433729.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1640433729.pdb or /var/tmp/from_scwrl_1640433729.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1640433729_b.pdb or decoys//var/tmp/from_scwrl_1640433729_b.pdb.gz for input Trying /var/tmp/from_scwrl_1640433729_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1640433729_b.pdb or /var/tmp/from_scwrl_1640433729_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1640433729_a.pdb or decoys//var/tmp/from_scwrl_1640433729_a.pdb.gz for input Trying /var/tmp/from_scwrl_1640433729_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1640433729_a.pdb or /var/tmp/from_scwrl_1640433729_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1640433729.pdb or /var/tmp/from_scwrl_1640433729_b.pdb or /var/tmp/from_scwrl_1640433729_a.pdb Error: no new SCWRL conformation added # naming current conformation forecast-s_AL2-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1850373028.pdb -s /var/tmp/to_scwrl_1850373028.seq -o /var/tmp/from_scwrl_1850373028.pdb > /var/tmp/scwrl_1850373028.log sh: /var/tmp/scwrl_1850373028.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1850373028.pdb or /var/tmp/from_scwrl_1850373028.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1850373028_b.pdb or decoys//var/tmp/from_scwrl_1850373028_b.pdb.gz for input Trying /var/tmp/from_scwrl_1850373028_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1850373028_b.pdb or /var/tmp/from_scwrl_1850373028_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1850373028_a.pdb or decoys//var/tmp/from_scwrl_1850373028_a.pdb.gz for input Trying /var/tmp/from_scwrl_1850373028_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1850373028_a.pdb or /var/tmp/from_scwrl_1850373028_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1850373028.pdb or /var/tmp/from_scwrl_1850373028_b.pdb or /var/tmp/from_scwrl_1850373028_a.pdb Error: no new SCWRL conformation added # naming current conformation forecast-s_AL3-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_453678243.pdb -s /var/tmp/to_scwrl_453678243.seq -o /var/tmp/from_scwrl_453678243.pdb > /var/tmp/scwrl_453678243.log sh: /var/tmp/scwrl_453678243.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_453678243.pdb or /var/tmp/from_scwrl_453678243.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_453678243_b.pdb or decoys//var/tmp/from_scwrl_453678243_b.pdb.gz for input Trying /var/tmp/from_scwrl_453678243_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_453678243_b.pdb or /var/tmp/from_scwrl_453678243_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_453678243_a.pdb or decoys//var/tmp/from_scwrl_453678243_a.pdb.gz for input Trying /var/tmp/from_scwrl_453678243_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_453678243_a.pdb or /var/tmp/from_scwrl_453678243_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_453678243.pdb or /var/tmp/from_scwrl_453678243_b.pdb or /var/tmp/from_scwrl_453678243_a.pdb Error: no new SCWRL conformation added # naming current conformation forecast-s_AL4-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_780284192.pdb -s /var/tmp/to_scwrl_780284192.seq -o /var/tmp/from_scwrl_780284192.pdb > /var/tmp/scwrl_780284192.log sh: /var/tmp/scwrl_780284192.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_780284192.pdb or /var/tmp/from_scwrl_780284192.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_780284192_b.pdb or decoys//var/tmp/from_scwrl_780284192_b.pdb.gz for input Trying /var/tmp/from_scwrl_780284192_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_780284192_b.pdb or /var/tmp/from_scwrl_780284192_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_780284192_a.pdb or decoys//var/tmp/from_scwrl_780284192_a.pdb.gz for input Trying /var/tmp/from_scwrl_780284192_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_780284192_a.pdb or /var/tmp/from_scwrl_780284192_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_780284192.pdb or /var/tmp/from_scwrl_780284192_b.pdb or /var/tmp/from_scwrl_780284192_a.pdb Error: no new SCWRL conformation added # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 241 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1510050620.pdb -s /var/tmp/to_scwrl_1510050620.seq -o /var/tmp/from_scwrl_1510050620.pdb > /var/tmp/scwrl_1510050620.log sh: /var/tmp/scwrl_1510050620.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1510050620.pdb or /var/tmp/from_scwrl_1510050620.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1510050620_b.pdb or decoys//var/tmp/from_scwrl_1510050620_b.pdb.gz for input Trying /var/tmp/from_scwrl_1510050620_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1510050620_b.pdb or /var/tmp/from_scwrl_1510050620_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1510050620_a.pdb or decoys//var/tmp/from_scwrl_1510050620_a.pdb.gz for input Trying /var/tmp/from_scwrl_1510050620_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1510050620_a.pdb or /var/tmp/from_scwrl_1510050620_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1510050620.pdb or /var/tmp/from_scwrl_1510050620_b.pdb or /var/tmp/from_scwrl_1510050620_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv.2_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS2.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_295694067.pdb -s /var/tmp/to_scwrl_295694067.seq -o /var/tmp/from_scwrl_295694067.pdb > /var/tmp/scwrl_295694067.log sh: /var/tmp/scwrl_295694067.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_295694067.pdb or /var/tmp/from_scwrl_295694067.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_295694067_b.pdb or decoys//var/tmp/from_scwrl_295694067_b.pdb.gz for input Trying /var/tmp/from_scwrl_295694067_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_295694067_b.pdb or /var/tmp/from_scwrl_295694067_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_295694067_a.pdb or decoys//var/tmp/from_scwrl_295694067_a.pdb.gz for input Trying /var/tmp/from_scwrl_295694067_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_295694067_a.pdb or /var/tmp/from_scwrl_295694067_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_295694067.pdb or /var/tmp/from_scwrl_295694067_b.pdb or /var/tmp/from_scwrl_295694067_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv.2_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS3.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1432968534.pdb -s /var/tmp/to_scwrl_1432968534.seq -o /var/tmp/from_scwrl_1432968534.pdb > /var/tmp/scwrl_1432968534.log sh: /var/tmp/scwrl_1432968534.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1432968534.pdb or /var/tmp/from_scwrl_1432968534.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1432968534_b.pdb or decoys//var/tmp/from_scwrl_1432968534_b.pdb.gz for input Trying /var/tmp/from_scwrl_1432968534_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1432968534_b.pdb or /var/tmp/from_scwrl_1432968534_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1432968534_a.pdb or decoys//var/tmp/from_scwrl_1432968534_a.pdb.gz for input Trying /var/tmp/from_scwrl_1432968534_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1432968534_a.pdb or /var/tmp/from_scwrl_1432968534_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1432968534.pdb or /var/tmp/from_scwrl_1432968534_b.pdb or /var/tmp/from_scwrl_1432968534_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv.2_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS4.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1008128345.pdb -s /var/tmp/to_scwrl_1008128345.seq -o /var/tmp/from_scwrl_1008128345.pdb > /var/tmp/scwrl_1008128345.log sh: /var/tmp/scwrl_1008128345.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1008128345.pdb or /var/tmp/from_scwrl_1008128345.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1008128345_b.pdb or decoys//var/tmp/from_scwrl_1008128345_b.pdb.gz for input Trying /var/tmp/from_scwrl_1008128345_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1008128345_b.pdb or /var/tmp/from_scwrl_1008128345_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1008128345_a.pdb or decoys//var/tmp/from_scwrl_1008128345_a.pdb.gz for input Trying /var/tmp/from_scwrl_1008128345_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1008128345_a.pdb or /var/tmp/from_scwrl_1008128345_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1008128345.pdb or /var/tmp/from_scwrl_1008128345_b.pdb or /var/tmp/from_scwrl_1008128345_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv.2_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS5.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_224148005.pdb -s /var/tmp/to_scwrl_224148005.seq -o /var/tmp/from_scwrl_224148005.pdb > /var/tmp/scwrl_224148005.log sh: /var/tmp/scwrl_224148005.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_224148005.pdb or /var/tmp/from_scwrl_224148005.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_224148005_b.pdb or decoys//var/tmp/from_scwrl_224148005_b.pdb.gz for input Trying /var/tmp/from_scwrl_224148005_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_224148005_b.pdb or /var/tmp/from_scwrl_224148005_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_224148005_a.pdb or decoys//var/tmp/from_scwrl_224148005_a.pdb.gz for input Trying /var/tmp/from_scwrl_224148005_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_224148005_a.pdb or /var/tmp/from_scwrl_224148005_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_224148005.pdb or /var/tmp/from_scwrl_224148005_b.pdb or /var/tmp/from_scwrl_224148005_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv.2_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0321)P13.O and (T0321)E14.N only 0.000 apart, marking (T0321)E14.N as missing # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1345979255.pdb -s /var/tmp/to_scwrl_1345979255.seq -o /var/tmp/from_scwrl_1345979255.pdb > /var/tmp/scwrl_1345979255.log sh: /var/tmp/scwrl_1345979255.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1345979255.pdb or /var/tmp/from_scwrl_1345979255.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1345979255_b.pdb or decoys//var/tmp/from_scwrl_1345979255_b.pdb.gz for input Trying /var/tmp/from_scwrl_1345979255_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1345979255_b.pdb or /var/tmp/from_scwrl_1345979255_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1345979255_a.pdb or decoys//var/tmp/from_scwrl_1345979255_a.pdb.gz for input Trying /var/tmp/from_scwrl_1345979255_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1345979255_a.pdb or /var/tmp/from_scwrl_1345979255_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1345979255.pdb or /var/tmp/from_scwrl_1345979255_b.pdb or /var/tmp/from_scwrl_1345979255_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv.4_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS2.pdb.gz looking for model 1 # Found a chain break before 248 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1962315677.pdb -s /var/tmp/to_scwrl_1962315677.seq -o /var/tmp/from_scwrl_1962315677.pdb > /var/tmp/scwrl_1962315677.log sh: /var/tmp/scwrl_1962315677.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1962315677.pdb or /var/tmp/from_scwrl_1962315677.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1962315677_b.pdb or decoys//var/tmp/from_scwrl_1962315677_b.pdb.gz for input Trying /var/tmp/from_scwrl_1962315677_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1962315677_b.pdb or /var/tmp/from_scwrl_1962315677_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1962315677_a.pdb or decoys//var/tmp/from_scwrl_1962315677_a.pdb.gz for input Trying /var/tmp/from_scwrl_1962315677_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1962315677_a.pdb or /var/tmp/from_scwrl_1962315677_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1962315677.pdb or /var/tmp/from_scwrl_1962315677_b.pdb or /var/tmp/from_scwrl_1962315677_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv.4_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 # Found a chain break before 248 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_104310464.pdb -s /var/tmp/to_scwrl_104310464.seq -o /var/tmp/from_scwrl_104310464.pdb > /var/tmp/scwrl_104310464.log sh: /var/tmp/scwrl_104310464.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_104310464.pdb or /var/tmp/from_scwrl_104310464.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_104310464_b.pdb or decoys//var/tmp/from_scwrl_104310464_b.pdb.gz for input Trying /var/tmp/from_scwrl_104310464_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_104310464_b.pdb or /var/tmp/from_scwrl_104310464_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_104310464_a.pdb or decoys//var/tmp/from_scwrl_104310464_a.pdb.gz for input Trying /var/tmp/from_scwrl_104310464_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_104310464_a.pdb or /var/tmp/from_scwrl_104310464_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_104310464.pdb or /var/tmp/from_scwrl_104310464_b.pdb or /var/tmp/from_scwrl_104310464_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv.4_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS4.pdb.gz looking for model 1 WARNING: atoms too close: (T0321)L56.O and (T0321)G57.N only 0.000 apart, marking (T0321)G57.N as missing # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_873046431.pdb -s /var/tmp/to_scwrl_873046431.seq -o /var/tmp/from_scwrl_873046431.pdb > /var/tmp/scwrl_873046431.log sh: /var/tmp/scwrl_873046431.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_873046431.pdb or /var/tmp/from_scwrl_873046431.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_873046431_b.pdb or decoys//var/tmp/from_scwrl_873046431_b.pdb.gz for input Trying /var/tmp/from_scwrl_873046431_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_873046431_b.pdb or /var/tmp/from_scwrl_873046431_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_873046431_a.pdb or decoys//var/tmp/from_scwrl_873046431_a.pdb.gz for input Trying /var/tmp/from_scwrl_873046431_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_873046431_a.pdb or /var/tmp/from_scwrl_873046431_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_873046431.pdb or /var/tmp/from_scwrl_873046431_b.pdb or /var/tmp/from_scwrl_873046431_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv.4_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS5.pdb.gz looking for model 1 # Found a chain break before 248 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1414050673.pdb -s /var/tmp/to_scwrl_1414050673.seq -o /var/tmp/from_scwrl_1414050673.pdb > /var/tmp/scwrl_1414050673.log sh: /var/tmp/scwrl_1414050673.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1414050673.pdb or /var/tmp/from_scwrl_1414050673.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1414050673_b.pdb or decoys//var/tmp/from_scwrl_1414050673_b.pdb.gz for input Trying /var/tmp/from_scwrl_1414050673_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1414050673_b.pdb or /var/tmp/from_scwrl_1414050673_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1414050673_a.pdb or decoys//var/tmp/from_scwrl_1414050673_a.pdb.gz for input Trying /var/tmp/from_scwrl_1414050673_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1414050673_a.pdb or /var/tmp/from_scwrl_1414050673_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1414050673.pdb or /var/tmp/from_scwrl_1414050673_b.pdb or /var/tmp/from_scwrl_1414050673_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv.4_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1933163915.pdb -s /var/tmp/to_scwrl_1933163915.seq -o /var/tmp/from_scwrl_1933163915.pdb > /var/tmp/scwrl_1933163915.log sh: /var/tmp/scwrl_1933163915.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1933163915.pdb or /var/tmp/from_scwrl_1933163915.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1933163915_b.pdb or decoys//var/tmp/from_scwrl_1933163915_b.pdb.gz for input Trying /var/tmp/from_scwrl_1933163915_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1933163915_b.pdb or /var/tmp/from_scwrl_1933163915_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1933163915_a.pdb or decoys//var/tmp/from_scwrl_1933163915_a.pdb.gz for input Trying /var/tmp/from_scwrl_1933163915_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1933163915_a.pdb or /var/tmp/from_scwrl_1933163915_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1933163915.pdb or /var/tmp/from_scwrl_1933163915_b.pdb or /var/tmp/from_scwrl_1933163915_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1187655199.pdb -s /var/tmp/to_scwrl_1187655199.seq -o /var/tmp/from_scwrl_1187655199.pdb > /var/tmp/scwrl_1187655199.log sh: /var/tmp/scwrl_1187655199.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1187655199.pdb or /var/tmp/from_scwrl_1187655199.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1187655199_b.pdb or decoys//var/tmp/from_scwrl_1187655199_b.pdb.gz for input Trying /var/tmp/from_scwrl_1187655199_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1187655199_b.pdb or /var/tmp/from_scwrl_1187655199_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1187655199_a.pdb or decoys//var/tmp/from_scwrl_1187655199_a.pdb.gz for input Trying /var/tmp/from_scwrl_1187655199_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1187655199_a.pdb or /var/tmp/from_scwrl_1187655199_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1187655199.pdb or /var/tmp/from_scwrl_1187655199_b.pdb or /var/tmp/from_scwrl_1187655199_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_600307602.pdb -s /var/tmp/to_scwrl_600307602.seq -o /var/tmp/from_scwrl_600307602.pdb > /var/tmp/scwrl_600307602.log sh: /var/tmp/scwrl_600307602.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_600307602.pdb or /var/tmp/from_scwrl_600307602.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_600307602_b.pdb or decoys//var/tmp/from_scwrl_600307602_b.pdb.gz for input Trying /var/tmp/from_scwrl_600307602_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_600307602_b.pdb or /var/tmp/from_scwrl_600307602_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_600307602_a.pdb or decoys//var/tmp/from_scwrl_600307602_a.pdb.gz for input Trying /var/tmp/from_scwrl_600307602_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_600307602_a.pdb or /var/tmp/from_scwrl_600307602_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_600307602.pdb or /var/tmp/from_scwrl_600307602_b.pdb or /var/tmp/from_scwrl_600307602_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_2004296881.pdb -s /var/tmp/to_scwrl_2004296881.seq -o /var/tmp/from_scwrl_2004296881.pdb > /var/tmp/scwrl_2004296881.log sh: /var/tmp/scwrl_2004296881.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2004296881.pdb or /var/tmp/from_scwrl_2004296881.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2004296881_b.pdb or decoys//var/tmp/from_scwrl_2004296881_b.pdb.gz for input Trying /var/tmp/from_scwrl_2004296881_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2004296881_b.pdb or /var/tmp/from_scwrl_2004296881_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2004296881_a.pdb or decoys//var/tmp/from_scwrl_2004296881_a.pdb.gz for input Trying /var/tmp/from_scwrl_2004296881_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2004296881_a.pdb or /var/tmp/from_scwrl_2004296881_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2004296881.pdb or /var/tmp/from_scwrl_2004296881_b.pdb or /var/tmp/from_scwrl_2004296881_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1826015059.pdb -s /var/tmp/to_scwrl_1826015059.seq -o /var/tmp/from_scwrl_1826015059.pdb > /var/tmp/scwrl_1826015059.log sh: /var/tmp/scwrl_1826015059.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1826015059.pdb or /var/tmp/from_scwrl_1826015059.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1826015059_b.pdb or decoys//var/tmp/from_scwrl_1826015059_b.pdb.gz for input Trying /var/tmp/from_scwrl_1826015059_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1826015059_b.pdb or /var/tmp/from_scwrl_1826015059_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1826015059_a.pdb or decoys//var/tmp/from_scwrl_1826015059_a.pdb.gz for input Trying /var/tmp/from_scwrl_1826015059_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1826015059_a.pdb or /var/tmp/from_scwrl_1826015059_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1826015059.pdb or /var/tmp/from_scwrl_1826015059_b.pdb or /var/tmp/from_scwrl_1826015059_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv_TS5-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_468077993.pdb -s /var/tmp/to_scwrl_468077993.seq -o /var/tmp/from_scwrl_468077993.pdb > /var/tmp/scwrl_468077993.log sh: /var/tmp/scwrl_468077993.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_468077993.pdb or /var/tmp/from_scwrl_468077993.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_468077993_b.pdb or decoys//var/tmp/from_scwrl_468077993_b.pdb.gz for input Trying /var/tmp/from_scwrl_468077993_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_468077993_b.pdb or /var/tmp/from_scwrl_468077993_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_468077993_a.pdb or decoys//var/tmp/from_scwrl_468077993_a.pdb.gz for input Trying /var/tmp/from_scwrl_468077993_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_468077993_a.pdb or /var/tmp/from_scwrl_468077993_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_468077993.pdb or /var/tmp/from_scwrl_468077993_b.pdb or /var/tmp/from_scwrl_468077993_a.pdb Error: no new SCWRL conformation added # naming current conformation keasar-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_697127078.pdb -s /var/tmp/to_scwrl_697127078.seq -o /var/tmp/from_scwrl_697127078.pdb > /var/tmp/scwrl_697127078.log sh: /var/tmp/scwrl_697127078.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_697127078.pdb or /var/tmp/from_scwrl_697127078.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_697127078_b.pdb or decoys//var/tmp/from_scwrl_697127078_b.pdb.gz for input Trying /var/tmp/from_scwrl_697127078_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_697127078_b.pdb or /var/tmp/from_scwrl_697127078_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_697127078_a.pdb or decoys//var/tmp/from_scwrl_697127078_a.pdb.gz for input Trying /var/tmp/from_scwrl_697127078_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_697127078_a.pdb or /var/tmp/from_scwrl_697127078_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_697127078.pdb or /var/tmp/from_scwrl_697127078_b.pdb or /var/tmp/from_scwrl_697127078_a.pdb Error: no new SCWRL conformation added # naming current conformation keasar-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_707936015.pdb -s /var/tmp/to_scwrl_707936015.seq -o /var/tmp/from_scwrl_707936015.pdb > /var/tmp/scwrl_707936015.log sh: /var/tmp/scwrl_707936015.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_707936015.pdb or /var/tmp/from_scwrl_707936015.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_707936015_b.pdb or decoys//var/tmp/from_scwrl_707936015_b.pdb.gz for input Trying /var/tmp/from_scwrl_707936015_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_707936015_b.pdb or /var/tmp/from_scwrl_707936015_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_707936015_a.pdb or decoys//var/tmp/from_scwrl_707936015_a.pdb.gz for input Trying /var/tmp/from_scwrl_707936015_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_707936015_a.pdb or /var/tmp/from_scwrl_707936015_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_707936015.pdb or /var/tmp/from_scwrl_707936015_b.pdb or /var/tmp/from_scwrl_707936015_a.pdb Error: no new SCWRL conformation added # naming current conformation keasar-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1110122518.pdb -s /var/tmp/to_scwrl_1110122518.seq -o /var/tmp/from_scwrl_1110122518.pdb > /var/tmp/scwrl_1110122518.log sh: /var/tmp/scwrl_1110122518.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1110122518.pdb or /var/tmp/from_scwrl_1110122518.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1110122518_b.pdb or decoys//var/tmp/from_scwrl_1110122518_b.pdb.gz for input Trying /var/tmp/from_scwrl_1110122518_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1110122518_b.pdb or /var/tmp/from_scwrl_1110122518_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1110122518_a.pdb or decoys//var/tmp/from_scwrl_1110122518_a.pdb.gz for input Trying /var/tmp/from_scwrl_1110122518_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1110122518_a.pdb or /var/tmp/from_scwrl_1110122518_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1110122518.pdb or /var/tmp/from_scwrl_1110122518_b.pdb or /var/tmp/from_scwrl_1110122518_a.pdb Error: no new SCWRL conformation added # naming current conformation keasar-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_188862230.pdb -s /var/tmp/to_scwrl_188862230.seq -o /var/tmp/from_scwrl_188862230.pdb > /var/tmp/scwrl_188862230.log sh: /var/tmp/scwrl_188862230.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_188862230.pdb or /var/tmp/from_scwrl_188862230.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_188862230_b.pdb or decoys//var/tmp/from_scwrl_188862230_b.pdb.gz for input Trying /var/tmp/from_scwrl_188862230_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_188862230_b.pdb or /var/tmp/from_scwrl_188862230_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_188862230_a.pdb or decoys//var/tmp/from_scwrl_188862230_a.pdb.gz for input Trying /var/tmp/from_scwrl_188862230_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_188862230_a.pdb or /var/tmp/from_scwrl_188862230_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_188862230.pdb or /var/tmp/from_scwrl_188862230_b.pdb or /var/tmp/from_scwrl_188862230_a.pdb Error: no new SCWRL conformation added # naming current conformation keasar-server_TS5-scwrl # ReadConformPDB reading from PDB file servers/mGen-3D_TS1.pdb.gz looking for model 1 WARNING: atom 519 has residue number 1 < previous residue 251 in servers/mGen-3D_TS1.pdb.gz # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_2060820094.pdb -s /var/tmp/to_scwrl_2060820094.seq -o /var/tmp/from_scwrl_2060820094.pdb > /var/tmp/scwrl_2060820094.log sh: /var/tmp/scwrl_2060820094.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2060820094.pdb or /var/tmp/from_scwrl_2060820094.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2060820094_b.pdb or decoys//var/tmp/from_scwrl_2060820094_b.pdb.gz for input Trying /var/tmp/from_scwrl_2060820094_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2060820094_b.pdb or /var/tmp/from_scwrl_2060820094_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2060820094_a.pdb or decoys//var/tmp/from_scwrl_2060820094_a.pdb.gz for input Trying /var/tmp/from_scwrl_2060820094_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2060820094_a.pdb or /var/tmp/from_scwrl_2060820094_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2060820094.pdb or /var/tmp/from_scwrl_2060820094_b.pdb or /var/tmp/from_scwrl_2060820094_a.pdb Error: no new SCWRL conformation added # naming current conformation mGen-3D_TS1-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_306587997.pdb -s /var/tmp/to_scwrl_306587997.seq -o /var/tmp/from_scwrl_306587997.pdb > /var/tmp/scwrl_306587997.log sh: /var/tmp/scwrl_306587997.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_306587997.pdb or /var/tmp/from_scwrl_306587997.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_306587997_b.pdb or decoys//var/tmp/from_scwrl_306587997_b.pdb.gz for input Trying /var/tmp/from_scwrl_306587997_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_306587997_b.pdb or /var/tmp/from_scwrl_306587997_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_306587997_a.pdb or decoys//var/tmp/from_scwrl_306587997_a.pdb.gz for input Trying /var/tmp/from_scwrl_306587997_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_306587997_a.pdb or /var/tmp/from_scwrl_306587997_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_306587997.pdb or /var/tmp/from_scwrl_306587997_b.pdb or /var/tmp/from_scwrl_306587997_a.pdb Error: no new SCWRL conformation added # naming current conformation nFOLD_TS1-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_498393556.pdb -s /var/tmp/to_scwrl_498393556.seq -o /var/tmp/from_scwrl_498393556.pdb > /var/tmp/scwrl_498393556.log sh: /var/tmp/scwrl_498393556.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_498393556.pdb or /var/tmp/from_scwrl_498393556.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_498393556_b.pdb or decoys//var/tmp/from_scwrl_498393556_b.pdb.gz for input Trying /var/tmp/from_scwrl_498393556_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_498393556_b.pdb or /var/tmp/from_scwrl_498393556_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_498393556_a.pdb or decoys//var/tmp/from_scwrl_498393556_a.pdb.gz for input Trying /var/tmp/from_scwrl_498393556_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_498393556_a.pdb or /var/tmp/from_scwrl_498393556_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_498393556.pdb or /var/tmp/from_scwrl_498393556_b.pdb or /var/tmp/from_scwrl_498393556_a.pdb Error: no new SCWRL conformation added # naming current conformation nFOLD_TS2-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1204557268.pdb -s /var/tmp/to_scwrl_1204557268.seq -o /var/tmp/from_scwrl_1204557268.pdb > /var/tmp/scwrl_1204557268.log sh: /var/tmp/scwrl_1204557268.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1204557268.pdb or /var/tmp/from_scwrl_1204557268.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1204557268_b.pdb or decoys//var/tmp/from_scwrl_1204557268_b.pdb.gz for input Trying /var/tmp/from_scwrl_1204557268_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1204557268_b.pdb or /var/tmp/from_scwrl_1204557268_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1204557268_a.pdb or decoys//var/tmp/from_scwrl_1204557268_a.pdb.gz for input Trying /var/tmp/from_scwrl_1204557268_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1204557268_a.pdb or /var/tmp/from_scwrl_1204557268_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1204557268.pdb or /var/tmp/from_scwrl_1204557268_b.pdb or /var/tmp/from_scwrl_1204557268_a.pdb Error: no new SCWRL conformation added # naming current conformation nFOLD_TS3-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS4.pdb.gz looking for model 1 WARNING: atom 1 has residue number 1 < previous residue 251 in servers/nFOLD_TS4.pdb.gz # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1261167974.pdb -s /var/tmp/to_scwrl_1261167974.seq -o /var/tmp/from_scwrl_1261167974.pdb > /var/tmp/scwrl_1261167974.log sh: /var/tmp/scwrl_1261167974.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1261167974.pdb or /var/tmp/from_scwrl_1261167974.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1261167974_b.pdb or decoys//var/tmp/from_scwrl_1261167974_b.pdb.gz for input Trying /var/tmp/from_scwrl_1261167974_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1261167974_b.pdb or /var/tmp/from_scwrl_1261167974_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1261167974_a.pdb or decoys//var/tmp/from_scwrl_1261167974_a.pdb.gz for input Trying /var/tmp/from_scwrl_1261167974_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1261167974_a.pdb or /var/tmp/from_scwrl_1261167974_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1261167974.pdb or /var/tmp/from_scwrl_1261167974_b.pdb or /var/tmp/from_scwrl_1261167974_a.pdb Error: no new SCWRL conformation added # naming current conformation nFOLD_TS4-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_676971454.pdb -s /var/tmp/to_scwrl_676971454.seq -o /var/tmp/from_scwrl_676971454.pdb > /var/tmp/scwrl_676971454.log sh: /var/tmp/scwrl_676971454.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_676971454.pdb or /var/tmp/from_scwrl_676971454.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_676971454_b.pdb or decoys//var/tmp/from_scwrl_676971454_b.pdb.gz for input Trying /var/tmp/from_scwrl_676971454_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_676971454_b.pdb or /var/tmp/from_scwrl_676971454_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_676971454_a.pdb or decoys//var/tmp/from_scwrl_676971454_a.pdb.gz for input Trying /var/tmp/from_scwrl_676971454_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_676971454_a.pdb or /var/tmp/from_scwrl_676971454_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_676971454.pdb or /var/tmp/from_scwrl_676971454_b.pdb or /var/tmp/from_scwrl_676971454_a.pdb Error: no new SCWRL conformation added # naming current conformation nFOLD_TS5-scwrl # ReadConformPDB reading from PDB file servers/panther2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_1485597931.pdb -s /var/tmp/to_scwrl_1485597931.seq -o /var/tmp/from_scwrl_1485597931.pdb > /var/tmp/scwrl_1485597931.log sh: /var/tmp/scwrl_1485597931.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1485597931.pdb or /var/tmp/from_scwrl_1485597931.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1485597931_b.pdb or decoys//var/tmp/from_scwrl_1485597931_b.pdb.gz for input Trying /var/tmp/from_scwrl_1485597931_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1485597931_b.pdb or /var/tmp/from_scwrl_1485597931_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1485597931_a.pdb or decoys//var/tmp/from_scwrl_1485597931_a.pdb.gz for input Trying /var/tmp/from_scwrl_1485597931_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1485597931_a.pdb or /var/tmp/from_scwrl_1485597931_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1485597931.pdb or /var/tmp/from_scwrl_1485597931_b.pdb or /var/tmp/from_scwrl_1485597931_a.pdb Error: no new SCWRL conformation added # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0321 can't currently be optimized by undertaker # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 226 ; scwrl3 -i /var/tmp/to_scwrl_754118057.pdb -s /var/tmp/to_scwrl_754118057.seq -o /var/tmp/from_scwrl_754118057.pdb > /var/tmp/scwrl_754118057.log sh: /var/tmp/scwrl_754118057.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_754118057.pdb or /var/tmp/from_scwrl_754118057.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_754118057_b.pdb or decoys//var/tmp/from_scwrl_754118057_b.pdb.gz for input Trying /var/tmp/from_scwrl_754118057_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_754118057_b.pdb or /var/tmp/from_scwrl_754118057_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_754118057_a.pdb or decoys//var/tmp/from_scwrl_754118057_a.pdb.gz for input Trying /var/tmp/from_scwrl_754118057_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_754118057_a.pdb or /var/tmp/from_scwrl_754118057_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_754118057.pdb or /var/tmp/from_scwrl_754118057_b.pdb or /var/tmp/from_scwrl_754118057_a.pdb Error: no new SCWRL conformation added # naming current conformation shub_TS1-scwrl # command:CPU_time= 57.365 sec, elapsed time= 68.149 sec. # command:# Prefix for output files set to decoys/ # command:# Will now start reporting costs to decoys/evaluate.anglevector.rdb # command:# CostConform Warning: Couldn't open file decoys//projects/compbio/experiments/undertaker/spots/near-backbone-center.spot or decoys//projects/compbio/experiments/undertaker/spots/near-backbone-center.spot.gz for input Trying /projects/compbio/experiments/undertaker/spots/near-backbone-center.spot # Reading spots from /projects/compbio/experiments/undertaker/spots/near-backbone-center.spot shub_TS1-scwrl costs 120.346 real_cost = 326.590 panther2_TS1-scwrl costs 104.817 real_cost = 517.647 nFOLD_TS5-scwrl costs 94.947 real_cost = 522.354 nFOLD_TS4-scwrl costs 90.360 real_cost = 475.432 nFOLD_TS3-scwrl costs 92.953 real_cost = 502.355 nFOLD_TS2-scwrl costs 98.052 real_cost = 529.730 nFOLD_TS1-scwrl costs 99.162 real_cost = 514.126 mGen-3D_TS1-scwrl costs 105.659 real_cost = 612.910 keasar-server_TS5-scwrl costs 101.805 real_cost = 450.394 keasar-server_TS4-scwrl costs 104.579 real_cost = 419.631 keasar-server_TS3-scwrl costs 107.543 real_cost = 404.491 keasar-server_TS2-scwrl costs 95.933 real_cost = 410.040 keasar-server_TS1-scwrl costs 88.630 real_cost = 397.691 karypis.srv_TS5-scwrl costs 88.030 real_cost = 308.333 karypis.srv_TS4-scwrl costs 82.635 real_cost = 323.415 karypis.srv_TS3-scwrl costs 96.294 real_cost = 332.833 karypis.srv_TS2-scwrl costs 88.198 real_cost = 333.182 karypis.srv_TS1-scwrl costs 77.685 real_cost = 322.167 karypis.srv.4_TS5-scwrl costs 129.440 real_cost = 318.961 karypis.srv.4_TS4-scwrl costs 163.212 real_cost = 344.149 karypis.srv.4_TS3-scwrl costs 151.082 real_cost = 340.506 karypis.srv.4_TS2-scwrl costs 130.746 real_cost = 351.752 karypis.srv.4_TS1-scwrl costs 152.020 real_cost = 321.073 karypis.srv.2_TS5-scwrl costs 121.031 real_cost = 407.224 karypis.srv.2_TS4-scwrl costs 79.581 real_cost = 305.864 karypis.srv.2_TS3-scwrl costs 98.101 real_cost = 353.947 karypis.srv.2_TS2-scwrl costs 101.998 real_cost = 293.476 karypis.srv.2_TS1-scwrl costs 90.422 real_cost = 271.619 forecast-s_AL5-scwrl costs 117.466 real_cost = 679.723 forecast-s_AL4-scwrl costs 121.821 real_cost = 682.007 forecast-s_AL3-scwrl costs 121.891 real_cost = 636.323 forecast-s_AL2-scwrl costs 124.499 real_cost = 667.460 forecast-s_AL1-scwrl costs 119.425 real_cost = 687.863 beautshotbase_TS1-scwrl costs 102.868 real_cost = 291.523 beautshot_TS1-scwrl costs 125.162 real_cost = 282.770 Zhang-Server_TS5-scwrl costs 97.981 real_cost = 284.464 Zhang-Server_TS4-scwrl costs 104.337 real_cost = 261.183 Zhang-Server_TS3-scwrl costs 86.187 real_cost = 271.452 Zhang-Server_TS2-scwrl costs 87.280 real_cost = 236.180 Zhang-Server_TS1-scwrl costs 89.475 real_cost = 276.372 UNI-EID_sfst_AL5-scwrl costs 92.229 real_cost = 520.391 UNI-EID_sfst_AL4-scwrl costs 95.597 real_cost = 520.907 UNI-EID_sfst_AL3-scwrl costs 99.581 real_cost = 536.815 UNI-EID_sfst_AL2-scwrl costs 94.062 real_cost = 523.635 UNI-EID_sfst_AL1-scwrl costs 103.277 real_cost = 533.942 UNI-EID_expm_TS1-scwrl costs 123.203 real_cost = 432.149 UNI-EID_bnmx_TS5-scwrl costs 107.791 real_cost = 551.882 UNI-EID_bnmx_TS4-scwrl costs 115.838 real_cost = 555.584 UNI-EID_bnmx_TS3-scwrl costs 118.191 real_cost = 595.384 UNI-EID_bnmx_TS2-scwrl costs 97.061 real_cost = 507.542 UNI-EID_bnmx_TS1-scwrl costs 103.899 real_cost = 534.473 SPARKS2_TS5-scwrl costs 92.535 real_cost = 238.100 SPARKS2_TS4-scwrl costs 87.511 real_cost = 262.749 SPARKS2_TS3-scwrl costs 93.841 real_cost = 258.924 SPARKS2_TS2-scwrl costs 85.322 real_cost = 245.953 SPARKS2_TS1-scwrl costs 93.846 real_cost = 296.425 SP4_TS5-scwrl costs 93.659 real_cost = 308.965 SP4_TS4-scwrl costs 89.119 real_cost = 281.196 SP4_TS3-scwrl costs 72.537 real_cost = 235.466 SP4_TS2-scwrl costs 80.237 real_cost = 236.439 SP4_TS1-scwrl costs 73.394 real_cost = 210.826 SP3_TS5-scwrl costs 85.872 real_cost = 242.527 SP3_TS4-scwrl costs 72.837 real_cost = 285.822 SP3_TS3-scwrl costs 76.606 real_cost = 234.473 SP3_TS2-scwrl costs 78.175 real_cost = 290.869 SP3_TS1-scwrl costs 83.542 real_cost = 296.214 SAM_T06_server_TS5-scwrl costs 79.142 real_cost = 404.380 SAM_T06_server_TS4-scwrl costs 93.559 real_cost = 484.356 SAM_T06_server_TS3-scwrl costs 82.879 real_cost = 372.371 SAM_T06_server_TS2-scwrl costs 93.985 real_cost = 412.483 SAM_T06_server_TS1-scwrl costs 106.569 real_cost = 211.281 SAM-T02_AL5-scwrl costs 88.904 real_cost = 559.826 SAM-T02_AL4-scwrl costs 93.038 real_cost = 512.737 SAM-T02_AL3-scwrl costs 97.179 real_cost = 579.487 SAM-T02_AL2-scwrl costs 88.136 real_cost = 571.252 SAM-T02_AL1-scwrl costs 128.123 real_cost = 555.346 ROKKY_TS5-scwrl costs 70.125 real_cost = 447.901 ROKKY_TS4-scwrl costs 78.854 real_cost = 452.804 ROKKY_TS3-scwrl costs 76.488 real_cost = 441.260 ROKKY_TS2-scwrl costs 74.140 real_cost = 434.423 ROKKY_TS1-scwrl costs 80.669 real_cost = 432.777 ROBETTA_TS5-scwrl costs 64.575 real_cost = 208.297 ROBETTA_TS4-scwrl costs 65.649 real_cost = 237.778 ROBETTA_TS3-scwrl costs 67.217 real_cost = 245.334 ROBETTA_TS2-scwrl costs 62.914 real_cost = 213.025 ROBETTA_TS1-scwrl costs 63.710 real_cost = 236.156 RAPTOR_TS5-scwrl costs 93.744 real_cost = 300.724 RAPTOR_TS4-scwrl costs 78.060 real_cost = 275.977 RAPTOR_TS3-scwrl costs 90.484 real_cost = 264.192 RAPTOR_TS2-scwrl costs 89.255 real_cost = 264.696 RAPTOR_TS1-scwrl costs 84.450 real_cost = 237.967 RAPTORESS_TS5-scwrl costs 100.870 real_cost = 291.641 RAPTORESS_TS4-scwrl costs 86.180 real_cost = 280.581 RAPTORESS_TS3-scwrl costs 103.799 real_cost = 259.109 RAPTORESS_TS2-scwrl costs 105.914 real_cost = 265.365 RAPTORESS_TS1-scwrl costs 94.485 real_cost = 240.571 RAPTOR-ACE_TS5-scwrl costs 93.097 real_cost = 267.515 RAPTOR-ACE_TS4-scwrl costs 101.977 real_cost = 278.678 RAPTOR-ACE_TS3-scwrl costs 90.558 real_cost = 310.282 RAPTOR-ACE_TS2-scwrl costs 99.550 real_cost = 272.630 RAPTOR-ACE_TS1-scwrl costs 85.211 real_cost = 229.612 Pmodeller6_TS5-scwrl costs 83.040 real_cost = 318.350 Pmodeller6_TS4-scwrl costs 80.930 real_cost = 342.480 Pmodeller6_TS3-scwrl costs 80.408 real_cost = 315.434 Pmodeller6_TS2-scwrl costs 76.588 real_cost = 327.115 Pmodeller6_TS1-scwrl costs 79.738 real_cost = 325.253 Phyre-2_TS5-scwrl costs 100.109 real_cost = 299.267 Phyre-2_TS4-scwrl costs 96.897 real_cost = 293.076 Phyre-2_TS3-scwrl costs 90.813 real_cost = 289.017 Phyre-2_TS2-scwrl costs 97.749 real_cost = 292.893 Phyre-2_TS1-scwrl costs 92.166 real_cost = 290.571 Phyre-1_TS1-scwrl costs 87.880 real_cost = 470.889 Pcons6_TS5-scwrl costs 79.738 real_cost = 325.253 Pcons6_TS4-scwrl costs 83.561 real_cost = 337.098 Pcons6_TS3-scwrl costs 86.351 real_cost = 325.464 Pcons6_TS2-scwrl costs 88.389 real_cost = 322.210 Pcons6_TS1-scwrl costs 86.101 real_cost = 326.586 PROTINFO_TS5-scwrl costs 92.444 real_cost = 308.368 PROTINFO_TS4-scwrl costs 85.903 real_cost = 410.406 PROTINFO_TS3-scwrl costs 86.967 real_cost = 414.595 PROTINFO_TS2-scwrl costs 88.236 real_cost = 404.856 PROTINFO_TS1-scwrl costs 86.683 real_cost = 399.830 PROTINFO-AB_TS5-scwrl costs 91.143 real_cost = 313.469 PROTINFO-AB_TS4-scwrl costs 97.362 real_cost = 320.036 PROTINFO-AB_TS3-scwrl costs 117.237 real_cost = 327.033 PROTINFO-AB_TS2-scwrl costs 93.898 real_cost = 311.631 PROTINFO-AB_TS1-scwrl costs 91.586 real_cost = 311.094 POMYSL_TS5-scwrl costs 128.427 real_cost = 405.704 POMYSL_TS4-scwrl costs 146.779 real_cost = 364.790 POMYSL_TS3-scwrl costs 136.354 real_cost = 437.136 POMYSL_TS2-scwrl costs 137.728 real_cost = 422.070 POMYSL_TS1-scwrl costs 137.626 real_cost = 365.292 NN_PUT_lab_TS1-scwrl costs 82.964 real_cost = 273.975 MetaTasser_TS5-scwrl costs 112.411 real_cost = 311.527 MetaTasser_TS4-scwrl costs 119.317 real_cost = 236.208 MetaTasser_TS3-scwrl costs 119.613 real_cost = 250.938 MetaTasser_TS2-scwrl costs 116.562 real_cost = 227.838 MetaTasser_TS1-scwrl costs 115.294 real_cost = 248.939 Ma-OPUS-server_TS5-scwrl costs 103.624 real_cost = 313.635 Ma-OPUS-server_TS4-scwrl costs 80.902 real_cost = 270.690 Ma-OPUS-server_TS3-scwrl costs 83.673 real_cost = 265.290 Ma-OPUS-server_TS2-scwrl costs 90.287 real_cost = 256.650 Ma-OPUS-server_TS1-scwrl costs 96.220 real_cost = 245.465 Ma-OPUS-server2_TS5-scwrl costs 90.156 real_cost = 260.221 Ma-OPUS-server2_TS4-scwrl costs 103.624 real_cost = 313.635 Ma-OPUS-server2_TS3-scwrl costs 90.287 real_cost = 256.650 Ma-OPUS-server2_TS2-scwrl costs 89.981 real_cost = 276.389 Ma-OPUS-server2_TS1-scwrl costs 78.946 real_cost = 263.728 MIG_FROST_AL1-scwrl costs 81.015 real_cost = 385.979 LOOPP_TS4-scwrl costs 86.515 real_cost = 372.747 LOOPP_TS3-scwrl costs 81.923 real_cost = 347.835 LOOPP_TS2-scwrl costs 78.973 real_cost = 362.346 LOOPP_TS1-scwrl costs 82.964 real_cost = 273.975 Huber-Torda-Server_TS5-scwrl costs 93.104 real_cost = 542.043 Huber-Torda-Server_TS4-scwrl costs 99.889 real_cost = 564.697 Huber-Torda-Server_TS3-scwrl costs 110.951 real_cost = 598.245 Huber-Torda-Server_TS2-scwrl costs 95.491 real_cost = 563.521 Huber-Torda-Server_TS1-scwrl costs 101.155 real_cost = 604.252 HHpred3_TS1-scwrl costs 106.522 real_cost = 414.469 HHpred2_TS1-scwrl costs 97.983 real_cost = 371.380 HHpred1_TS1-scwrl costs 97.983 real_cost = 371.380 GeneSilicoMetaServer_TS5-scwrl costs 95.040 real_cost = 418.201 GeneSilicoMetaServer_TS4-scwrl costs 84.916 real_cost = 438.875 GeneSilicoMetaServer_TS3-scwrl costs 83.760 real_cost = 402.534 GeneSilicoMetaServer_TS2-scwrl costs 95.486 real_cost = 254.464 GeneSilicoMetaServer_TS1-scwrl costs 80.708 real_cost = 382.226 FUNCTION_TS5-scwrl costs 105.977 real_cost = 322.681 FUNCTION_TS4-scwrl costs 105.492 real_cost = 316.547 FUNCTION_TS3-scwrl costs 117.293 real_cost = 324.616 FUNCTION_TS2-scwrl costs 114.289 real_cost = 339.318 FUNCTION_TS1-scwrl costs 112.622 real_cost = 322.675 FUGUE_AL5-scwrl costs 105.982 real_cost = 489.191 FUGUE_AL4-scwrl costs 102.821 real_cost = 462.151 FUGUE_AL3-scwrl costs 113.354 real_cost = 548.966 FUGUE_AL2-scwrl costs 110.258 real_cost = 581.433 FUGUE_AL1-scwrl costs 108.227 real_cost = 532.108 FUGMOD_TS5-scwrl costs 95.671 real_cost = 281.555 FUGMOD_TS4-scwrl costs 97.539 real_cost = 278.331 FUGMOD_TS3-scwrl costs 107.786 real_cost = 315.404 FUGMOD_TS2-scwrl costs 119.499 real_cost = 336.893 FUGMOD_TS1-scwrl costs 103.108 real_cost = 336.679 FPSOLVER-SERVER_TS5-scwrl costs 116.186 real_cost = 318.697 FPSOLVER-SERVER_TS4-scwrl costs 113.155 real_cost = 320.678 FPSOLVER-SERVER_TS3-scwrl costs 118.480 real_cost = 311.088 FPSOLVER-SERVER_TS2-scwrl costs 120.843 real_cost = 336.762 FPSOLVER-SERVER_TS1-scwrl costs 118.596 real_cost = 304.025 FORTE2_AL5-scwrl costs 108.565 real_cost = 576.619 FORTE2_AL4-scwrl costs 97.013 real_cost = 538.789 FORTE2_AL3-scwrl costs 109.828 real_cost = 544.224 FORTE2_AL2-scwrl costs 95.798 real_cost = 539.301 FORTE2_AL1-scwrl costs 113.603 real_cost = 500.848 FORTE1_AL5-scwrl costs 97.013 real_cost = 538.789 FORTE1_AL4-scwrl costs 121.594 real_cost = 532.852 FORTE1_AL3-scwrl costs 109.828 real_cost = 544.224 FORTE1_AL2-scwrl costs 95.798 real_cost = 539.301 FORTE1_AL1-scwrl costs 113.603 real_cost = 500.848 FOLDpro_TS5-scwrl costs 118.803 real_cost = 349.495 FOLDpro_TS4-scwrl costs 115.633 real_cost = 328.873 FOLDpro_TS3-scwrl costs 101.970 real_cost = 294.984 FOLDpro_TS2-scwrl costs 102.779 real_cost = 284.667 FOLDpro_TS1-scwrl costs 123.744 real_cost = 326.805 FAMS_TS5-scwrl costs 105.576 real_cost = 481.116 FAMS_TS4-scwrl costs 93.815 real_cost = 487.976 FAMS_TS3-scwrl costs 90.770 real_cost = 496.871 FAMS_TS2-scwrl costs 90.770 real_cost = 496.871 FAMS_TS1-scwrl costs 83.018 real_cost = 290.807 FAMSD_TS5-scwrl costs 99.570 real_cost = 312.853 FAMSD_TS4-scwrl costs 105.576 real_cost = 481.116 FAMSD_TS3-scwrl costs 108.138 real_cost = 333.945 FAMSD_TS2-scwrl costs 93.815 real_cost = 487.976 FAMSD_TS1-scwrl costs 91.326 real_cost = 336.113 Distill_TS5-scwrl costs 229.092 real_cost = 588.854 Distill_TS4-scwrl costs 230.937 real_cost = 586.242 Distill_TS3-scwrl costs 231.326 real_cost = 593.339 Distill_TS2-scwrl costs 231.016 real_cost = 587.569 Distill_TS1-scwrl costs 229.704 real_cost = 591.177 CaspIta-FOX_TS5-scwrl costs 106.806 real_cost = 308.911 CaspIta-FOX_TS4-scwrl costs 93.278 real_cost = 378.262 CaspIta-FOX_TS3-scwrl costs 119.365 real_cost = 453.785 CaspIta-FOX_TS2-scwrl costs 94.661 real_cost = 374.643 CaspIta-FOX_TS1-scwrl costs 96.753 real_cost = 484.959 CIRCLE_TS5-scwrl costs 90.770 real_cost = 496.871 CIRCLE_TS4-scwrl costs 98.845 real_cost = 501.894 CIRCLE_TS3-scwrl costs 83.018 real_cost = 290.807 CIRCLE_TS2-scwrl costs 81.464 real_cost = 244.553 CIRCLE_TS1-scwrl costs 80.677 real_cost = 301.426 Bilab-ENABLE_TS5-scwrl costs 99.229 real_cost = 258.289 Bilab-ENABLE_TS4-scwrl costs 99.552 real_cost = 255.584 Bilab-ENABLE_TS3-scwrl costs 99.264 real_cost = 256.711 Bilab-ENABLE_TS2-scwrl costs 111.360 real_cost = 323.196 Bilab-ENABLE_TS1-scwrl costs 100.764 real_cost = 256.678 BayesHH_TS1-scwrl costs 116.926 real_cost = 388.526 ABIpro_TS5-scwrl costs 77.816 real_cost = 275.533 ABIpro_TS4-scwrl costs 81.437 real_cost = 297.508 ABIpro_TS3-scwrl costs 75.953 real_cost = 294.649 ABIpro_TS2-scwrl costs 85.986 real_cost = 294.210 ABIpro_TS1-scwrl costs 90.271 real_cost = 301.211 3Dpro_TS5-scwrl costs 94.367 real_cost = 300.124 3Dpro_TS4-scwrl costs 112.364 real_cost = 314.618 3Dpro_TS3-scwrl costs 116.759 real_cost = 289.900 3Dpro_TS2-scwrl costs 104.157 real_cost = 320.980 3Dpro_TS1-scwrl costs 112.749 real_cost = 300.981 3D-JIGSAW_TS5-scwrl costs 121.880 real_cost = 398.043 3D-JIGSAW_TS4-scwrl costs 97.097 real_cost = 337.339 3D-JIGSAW_TS3-scwrl costs 123.576 real_cost = 369.428 3D-JIGSAW_TS2-scwrl costs 111.712 real_cost = 301.366 3D-JIGSAW_TS1-scwrl costs 115.215 real_cost = 369.942 3D-JIGSAW_RECOM_TS5-scwrl costs 114.172 real_cost = 337.703 3D-JIGSAW_RECOM_TS4-scwrl costs 117.364 real_cost = 397.351 3D-JIGSAW_RECOM_TS3-scwrl costs 120.823 real_cost = 399.301 3D-JIGSAW_RECOM_TS2-scwrl costs 112.651 real_cost = 325.528 3D-JIGSAW_RECOM_TS1-scwrl costs 98.430 real_cost = 413.795 3D-JIGSAW_POPULUS_TS5-scwrl costs 98.757 real_cost = 333.674 3D-JIGSAW_POPULUS_TS4-scwrl costs 99.433 real_cost = 335.633 3D-JIGSAW_POPULUS_TS3-scwrl costs 109.055 real_cost = 418.583 3D-JIGSAW_POPULUS_TS2-scwrl costs 115.260 real_cost = 418.741 3D-JIGSAW_POPULUS_TS1-scwrl costs 114.892 real_cost = 416.527 chimera-try15-domain1-try5.models.pdb.gz costs 69.224 real_cost = 231.250 chimera-domains2.pdb.gz costs 93.557 real_cost = 260.432 chimera-domains.pdb.gz costs 89.249 real_cost = 264.880 T0321.try9-opt2.repack-nonPC.pdb.gz costs 85.859 real_cost = 257.574 T0321.try9-opt2.pdb.gz costs 85.859 real_cost = 258.429 T0321.try9-opt2.gromacs0.pdb.gz costs 67.797 real_cost = 254.717 T0321.try9-opt1.pdb.gz costs 82.280 real_cost = 257.600 T0321.try9-opt1-scwrl.pdb.gz costs 82.280 real_cost = 254.031 T0321.try8-opt2.repack-nonPC.pdb.gz costs 91.894 real_cost = 256.344 T0321.try8-opt2.pdb.gz costs 91.894 real_cost = 256.182 T0321.try8-opt2.gromacs0.pdb.gz costs 69.500 real_cost = 257.441 T0321.try8-opt1.pdb.gz costs 91.951 real_cost = 258.184 T0321.try8-opt1-scwrl.pdb.gz costs 91.951 real_cost = 257.352 T0321.try7-opt2.repack-nonPC.pdb.gz costs 92.075 real_cost = 256.785 T0321.try7-opt2.pdb.gz costs 92.075 real_cost = 257.156 T0321.try7-opt2.gromacs0.pdb.gz costs 71.725 real_cost = 259.040 T0321.try7-opt1.pdb.gz costs 90.075 real_cost = 257.611 T0321.try7-opt1-scwrl.pdb.gz costs 90.075 real_cost = 255.900 T0321.try6-opt2.repack-nonPC.pdb.gz costs 97.680 real_cost = 276.689 T0321.try6-opt2.pdb.gz costs 97.680 real_cost = 275.510 T0321.try6-opt2.gromacs0.pdb.gz costs 77.041 real_cost = 275.368 T0321.try6-opt1.pdb.gz costs 85.227 real_cost = 276.716 T0321.try6-opt1-scwrl.pdb.gz costs 85.227 real_cost = 275.961 T0321.try5-opt2.repack-nonPC.pdb.gz costs 116.341 real_cost = 267.253 T0321.try5-opt2.pdb.gz costs 116.341 real_cost = 267.004 T0321.try5-opt2.gromacs0.pdb.gz costs 99.540 real_cost = 275.181 T0321.try5-opt1.pdb.gz costs 105.617 real_cost = 266.239 T0321.try5-opt1-scwrl.pdb.gz costs 105.617 real_cost = 269.659 T0321.try4-opt2.repack-nonPC.pdb.gz costs 94.283 real_cost = 254.776 T0321.try4-opt2.pdb.gz costs 94.283 real_cost = 254.806 T0321.try4-opt2.gromacs0.pdb.gz costs 71.250 real_cost = 253.120 T0321.try4-opt1.pdb.gz costs 93.136 real_cost = 257.546 T0321.try4-opt1-scwrl.pdb.gz costs 93.136 real_cost = 256.414 T0321.try3-opt2.repack-nonPC.pdb.gz costs 91.796 real_cost = 252.971 T0321.try3-opt2.pdb.gz costs 91.796 real_cost = 251.502 T0321.try3-opt2.gromacs0.pdb.gz costs 74.480 real_cost = 252.840 T0321.try3-opt1.pdb.gz costs 86.422 real_cost = 255.895 T0321.try3-opt1-scwrl.pdb.gz costs 86.422 real_cost = 255.396 T0321.try2-opt2.repack-nonPC.pdb.gz costs 88.900 real_cost = 255.055 T0321.try2-opt2.pdb.gz costs 88.900 real_cost = 254.940 T0321.try2-opt2.gromacs0.pdb.gz costs 71.863 real_cost = 256.348 T0321.try2-opt1.pdb.gz costs 86.024 real_cost = 256.921 T0321.try2-opt1-scwrl.pdb.gz costs 86.024 real_cost = 255.918 T0321.try17-opt2.repack-nonPC.pdb.gz costs 69.600 real_cost = 218.608 T0321.try17-opt2.pdb.gz costs 69.600 real_cost = 219.108 T0321.try17-opt2.gromacs0.repack-nonPC.pdb.gz costs 55.765 real_cost = 220.548 T0321.try17-opt2.gromacs0.pdb.gz costs 55.765 real_cost = 218.498 T0321.try17-opt1.pdb.gz costs 69.233 real_cost = 218.598 T0321.try17-opt1-scwrl.pdb.gz costs 69.233 real_cost = 215.972 T0321.try16-opt2.repack-nonPC.pdb.gz costs 69.233 real_cost = 219.933 T0321.try16-opt2.pdb.gz costs 69.233 real_cost = 218.539 T0321.try16-opt2.gromacs0.repack-nonPC.pdb.gz costs 56.153 real_cost = 222.366 T0321.try16-opt2.gromacs0.pdb.gz costs 56.153 real_cost = 219.795 T0321.try16-opt1.pdb.gz costs 67.909 real_cost = 219.407 T0321.try16-opt1-scwrl.pdb.gz costs 67.909 real_cost = 217.367 T0321.try15-opt2.repack-nonPC.pdb.gz costs 81.017 real_cost = 251.418 T0321.try15-opt2.pdb.gz costs 81.017 real_cost = 252.161 T0321.try15-opt2.gromacs0.repack-nonPC.pdb.gz costs 68.150 real_cost = 252.786 T0321.try15-opt2.gromacs0.pdb.gz costs 68.150 real_cost = 252.755 T0321.try15-opt1.pdb.gz costs 80.018 real_cost = 252.260 T0321.try15-opt1-scwrl.pdb.gz costs 80.018 real_cost = 249.466 T0321.try14-opt2.repack-nonPC.pdb.gz costs 87.451 real_cost = 254.957 T0321.try14-opt2.pdb.gz costs 87.451 real_cost = 255.101 T0321.try14-opt2.gromacs0.repack-nonPC.pdb.gz costs 68.979 real_cost = 253.586 T0321.try14-opt2.gromacs0.pdb.gz costs 68.979 real_cost = 254.212 T0321.try14-opt1.pdb.gz costs 86.720 real_cost = 255.163 T0321.try14-opt1-scwrl.pdb.gz costs 86.720 real_cost = 250.351 T0321.try13-opt2.repack-nonPC.pdb.gz costs 86.433 real_cost = 253.329 T0321.try13-opt2.pdb.gz costs 86.433 real_cost = 255.364 T0321.try13-opt2.gromacs0.repack-nonPC.pdb.gz costs 68.112 real_cost = 251.066 T0321.try13-opt2.gromacs0.pdb.gz costs 68.112 real_cost = 253.724 T0321.try13-opt1.pdb.gz costs 85.010 real_cost = 255.053 T0321.try13-opt1-scwrl.pdb.gz costs 85.010 real_cost = 250.368 T0321.try12-opt2.repack-nonPC.pdb.gz costs 93.209 real_cost = 256.254 T0321.try12-opt2.pdb.gz costs 93.209 real_cost = 256.206 T0321.try12-opt2.gromacs0.repack-nonPC.pdb.gz costs 68.456 real_cost = 254.347 T0321.try12-opt2.gromacs0.pdb.gz costs 68.456 real_cost = 255.517 T0321.try12-opt1.pdb.gz costs 92.001 real_cost = 257.017 T0321.try12-opt1-scwrl.pdb.gz costs 92.001 real_cost = 255.259 T0321.try11-opt2.repack-nonPC.pdb.gz costs 84.396 real_cost = 252.288 T0321.try11-opt2.pdb.gz costs 84.396 real_cost = 254.383 T0321.try11-opt2.gromacs0.repack-nonPC.pdb.gz costs 68.269 real_cost = 251.038 T0321.try11-opt2.gromacs0.pdb.gz costs 68.269 real_cost = 252.956 T0321.try11-opt1.pdb.gz costs 82.630 real_cost = 254.075 T0321.try11-opt1-scwrl.pdb.gz costs 82.630 real_cost = 250.306 T0321.try10-opt2.repack-nonPC.pdb.gz costs 83.213 real_cost = 256.932 T0321.try10-opt2.pdb.gz costs 83.213 real_cost = 256.795 T0321.try10-opt2.gromacs0.pdb.gz costs 66.872 real_cost = 254.712 T0321.try10-opt1.pdb.gz costs 79.756 real_cost = 256.488 T0321.try10-opt1-scwrl.pdb.gz costs 79.756 real_cost = 254.579 T0321.try1-opt2.repack-nonPC.pdb.gz costs 101.574 real_cost = 252.533 T0321.try1-opt2.pdb.gz costs 101.574 real_cost = 253.456 T0321.try1-opt1.pdb.gz costs 95.045 real_cost = 254.456 T0321.try1-opt1-scwrl.pdb.gz costs 95.045 real_cost = 253.440 ../model5.ts-submitted costs 94.283 real_cost = 254.945 ../model4.ts-submitted costs 92.744 real_cost = 256.490 ../model3.ts-submitted costs 69.600 real_cost = 219.095 ../model2.ts-submitted costs 81.017 real_cost = 252.042 ../model1.ts-submitted costs 87.451 real_cost = 254.996 align5 costs 91.772 real_cost = 440.782 align4 costs 89.495 real_cost = 400.533 align3 costs 94.977 real_cost = 417.673 align2 costs 87.382 real_cost = 353.531 align1 costs 92.315 real_cost = 468.734 T0321.try1-opt2.pdb costs 101.574 real_cost = 253.456 model5-scwrl costs 94.283 real_cost = 254.945 model4-scwrl costs 92.744 real_cost = 256.490 model3-scwrl costs 69.600 real_cost = 219.095 model2-scwrl costs 81.017 real_cost = 252.042 model1-scwrl costs 87.451 real_cost = 254.998 2h1qA costs 40.729 real_cost = -873.000 # command:CPU_time= 1028.041 sec, elapsed time= 1039.990 sec. # command:rm -f sort.tmp /projects/compbio/bin/sorttbl real_cost < decoys/evaluate.anglevector.rdb > sort.tmp mv -f sort.tmp decoys/evaluate.anglevector.rdb mv -f decoys/evaluate.anglevector.pretty decoys/evaluate.anglevector.pretty.old /projects/compbio/experiments/protein-predict/casp7/scripts/prettyscore -terse -targpfx -decpoint < decoys/evaluate.anglevector.rdb > decoys/evaluate.anglevector.pretty make[1]: Leaving directory `/projects/compbio/experiments/protein-predict/casp7/T0321'