make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0325' /projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0325.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/T0325.} ;\ 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/T0325/ -e s/START_COL/1/ \ -e s/COSTFCN/anglevector/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2i5iA/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1183103455 # 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= 6.931 sec, elapsed time= 6.988 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= 7.011 sec, elapsed time= 7.086 sec. # command:# Prefix for input files set to # command:# Making conformation for sequence T0325 numbered 1 through 262 Created new target T0325 from T0325.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2i5iA expands to /projects/compbio/data/pdb/2i5i.pdb.gz 2i5iA:Skipped atom 113, because occupancy 0.5 <= existing 0.500 in 2i5iA Skipped atom 115, because occupancy 0.500 <= existing 0.500 in 2i5iA Skipped atom 117, because occupancy 0.500 <= existing 0.500 in 2i5iA Skipped atom 119, because occupancy 0.500 <= existing 0.500 in 2i5iA Skipped atom 121, because occupancy 0.500 <= existing 0.500 in 2i5iA Skipped atom 123, because occupancy 0.500 <= existing 0.500 in 2i5iA Skipped atom 125, because occupancy 0.500 <= existing 0.500 in 2i5iA 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 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 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 1709, because occupancy 0.500 <= existing 0.500 in 2i5iA Skipped atom 1711, because occupancy 0.500 <= existing 0.500 in 2i5iA Skipped atom 1713, because occupancy 0.500 <= existing 0.500 in 2i5iA Skipped atom 1715, because occupancy 0.500 <= existing 0.500 in 2i5iA Skipped atom 1717, because occupancy 0.500 <= existing 0.500 in 2i5iA Skipped atom 1719, because occupancy 0.500 <= existing 0.500 in 2i5iA Skipped atom 1721, because occupancy 0.500 <= existing 0.500 in 2i5iA Skipped atom 1723, because occupancy 0.500 <= existing 0.500 in 2i5iA 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 Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Read 261 residues and 2036 atoms. # choosing archetypes in rotamer library # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # copying to AlignedFragments data structure # 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= 12.333 sec, elapsed time= 12.606 sec. # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file model1.ts-submitted looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model1.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -34.423 # GDT_score(maxd=8.000,maxw=2.900)= -33.434 # GDT_score(maxd=8.000,maxw=3.200)= -30.920 # GDT_score(maxd=8.000,maxw=3.500)= -28.797 # GDT_score(maxd=10.000,maxw=3.800)= -32.763 # GDT_score(maxd=10.000,maxw=4.000)= -31.427 # GDT_score(maxd=10.000,maxw=4.200)= -30.200 # GDT_score(maxd=12.000,maxw=4.300)= -34.113 # GDT_score(maxd=12.000,maxw=4.500)= -32.845 # GDT_score(maxd=12.000,maxw=4.700)= -31.666 # GDT_score(maxd=14.000,maxw=5.200)= -32.414 # GDT_score(maxd=14.000,maxw=5.500)= -30.849 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0325.model1-real.pdb for output Error: Couldn't open file T0325.model1-real.pdb for output superimposing iter= 0 total_weight= 3070.000 rmsd (weighted)= 10.561 (unweighted)= 16.766 superimposing iter= 1 total_weight= 8718.477 rmsd (weighted)= 4.708 (unweighted)= 16.774 superimposing iter= 2 total_weight= 3296.408 rmsd (weighted)= 3.657 (unweighted)= 16.798 superimposing iter= 3 total_weight= 2280.745 rmsd (weighted)= 3.431 (unweighted)= 16.820 superimposing iter= 4 total_weight= 2124.504 rmsd (weighted)= 3.338 (unweighted)= 16.838 superimposing iter= 5 total_weight= 2068.466 rmsd (weighted)= 3.291 (unweighted)= 16.851 EXPDTA model1.ts-submitted MODEL 1 REMARK 44 REMARK 44 model 1 is called model1.ts-submitted ATOM 1 N MET A 1 7.826 54.613 36.775 1.00 0.00 ATOM 2 CA MET A 1 8.668 55.020 37.897 1.00 0.00 ATOM 3 CB MET A 1 7.965 56.162 38.639 1.00 0.00 ATOM 4 CG MET A 1 8.543 56.467 40.029 1.00 0.00 ATOM 5 SD MET A 1 7.937 58.049 40.710 1.00 0.00 ATOM 6 CE MET A 1 6.285 57.635 41.220 1.00 0.00 ATOM 7 O MET A 1 7.914 53.235 39.222 1.00 0.00 ATOM 8 C MET A 1 8.890 53.812 38.812 1.00 0.00 ATOM 9 N SER A 2 10.145 53.538 39.158 1.00 0.00 ATOM 10 CA SER A 2 10.443 52.428 40.090 1.00 0.00 ATOM 11 CB SER A 2 11.723 51.729 39.676 1.00 0.00 ATOM 12 OG SER A 2 12.837 52.573 39.765 1.00 0.00 ATOM 13 O SER A 2 10.918 52.021 42.419 1.00 0.00 ATOM 14 C SER A 2 10.570 52.837 41.568 1.00 0.00 ATOM 15 N ASN A 3 10.299 54.111 41.860 1.00 0.00 ATOM 16 CA ASN A 3 10.281 54.580 43.263 1.00 0.00 ATOM 17 CB ASN A 3 10.094 56.084 43.344 1.00 0.00 ATOM 18 CG ASN A 3 11.288 56.868 42.875 1.00 0.00 ATOM 19 ND2 ASN A 3 11.082 58.145 42.675 1.00 0.00 ATOM 20 OD1 ASN A 3 12.400 56.340 42.767 1.00 0.00 ATOM 21 O ASN A 3 8.036 53.875 43.611 1.00 0.00 ATOM 22 C ASN A 3 9.185 53.840 44.016 1.00 0.00 ATOM 23 N LYS A 4 9.640 53.076 45.006 1.00 0.00 ATOM 24 CA LYS A 4 8.754 52.203 45.807 1.00 0.00 ATOM 25 CB LYS A 4 9.579 51.174 46.585 1.00 0.00 ATOM 26 CG LYS A 4 10.245 50.117 45.716 1.00 0.00 ATOM 27 CD LYS A 4 10.973 49.082 46.563 1.00 0.00 ATOM 28 CE LYS A 4 11.670 48.046 45.695 1.00 0.00 ATOM 29 NZ LYS A 4 12.396 47.035 46.511 1.00 0.00 ATOM 30 O LYS A 4 8.205 53.195 47.947 1.00 0.00 ATOM 31 C LYS A 4 7.893 53.016 46.768 1.00 0.00 ATOM 32 N LYS A 5 6.928 53.702 46.178 1.00 0.00 ATOM 33 CA LYS A 5 5.984 54.545 46.932 1.00 0.00 ATOM 34 CB LYS A 5 5.966 55.966 46.366 1.00 0.00 ATOM 35 CG LYS A 5 7.275 56.727 46.531 1.00 0.00 ATOM 36 CD LYS A 5 7.169 58.140 45.977 1.00 0.00 ATOM 37 CE LYS A 5 8.472 58.904 46.153 1.00 0.00 ATOM 38 NZ LYS A 5 8.373 60.298 45.640 1.00 0.00 ATOM 39 O LYS A 5 4.213 53.273 45.921 1.00 0.00 ATOM 40 C LYS A 5 4.588 53.917 46.885 1.00 0.00 ATOM 41 N LEU A 6 3.840 54.197 47.949 1.00 0.00 ATOM 42 CA LEU A 6 2.432 53.776 48.059 1.00 0.00 ATOM 43 CB LEU A 6 2.339 52.417 48.765 1.00 0.00 ATOM 44 CG LEU A 6 0.921 51.848 48.901 1.00 0.00 ATOM 45 CD1 LEU A 6 0.945 50.337 48.716 1.00 0.00 ATOM 46 CD2 LEU A 6 0.353 52.216 50.264 1.00 0.00 ATOM 47 O LEU A 6 2.145 55.488 49.719 1.00 0.00 ATOM 48 C LEU A 6 1.638 54.842 48.805 1.00 0.00 ATOM 49 N ILE A 7 0.414 55.045 48.345 1.00 0.00 ATOM 50 CA ILE A 7 -0.499 55.993 49.008 1.00 0.00 ATOM 51 CB ILE A 7 -1.025 57.054 48.024 1.00 0.00 ATOM 52 CG1 ILE A 7 0.136 57.851 47.427 1.00 0.00 ATOM 53 CG2 ILE A 7 -2.011 57.981 48.719 1.00 0.00 ATOM 54 CD1 ILE A 7 0.885 57.117 46.338 1.00 0.00 ATOM 55 O ILE A 7 -2.524 54.704 48.927 1.00 0.00 ATOM 56 C ILE A 7 -1.669 55.241 49.629 1.00 0.00 ATOM 57 N ILE A 8 -1.686 55.273 50.956 1.00 0.00 ATOM 58 CA ILE A 8 -2.830 54.770 51.724 1.00 0.00 ATOM 59 CB ILE A 8 -2.436 54.444 53.176 1.00 0.00 ATOM 60 CG1 ILE A 8 -1.502 53.231 53.216 1.00 0.00 ATOM 61 CG2 ILE A 8 -3.676 54.193 54.021 1.00 0.00 ATOM 62 CD1 ILE A 8 -1.042 52.861 54.608 1.00 0.00 ATOM 63 O ILE A 8 -3.681 57.002 52.031 1.00 0.00 ATOM 64 C ILE A 8 -3.925 55.852 51.672 1.00 0.00 ATOM 65 N ASN A 9 -5.127 55.431 51.307 1.00 0.00 ATOM 66 CA ASN A 9 -6.295 56.322 51.314 1.00 0.00 ATOM 67 CB ASN A 9 -6.771 56.622 49.905 1.00 0.00 ATOM 68 CG ASN A 9 -8.065 57.387 49.854 1.00 0.00 ATOM 69 ND2 ASN A 9 -7.975 58.624 49.436 1.00 0.00 ATOM 70 OD1 ASN A 9 -9.143 56.841 50.116 1.00 0.00 ATOM 71 O ASN A 9 -7.604 54.512 52.180 1.00 0.00 ATOM 72 C ASN A 9 -7.434 55.730 52.142 1.00 0.00 ATOM 73 N ALA A 10 -8.158 56.604 52.824 1.00 0.00 ATOM 74 CA ALA A 10 -9.245 56.189 53.714 1.00 0.00 ATOM 75 CB ALA A 10 -8.877 56.520 55.159 1.00 0.00 ATOM 76 O ALA A 10 -10.548 58.150 53.264 1.00 0.00 ATOM 77 C ALA A 10 -10.537 56.916 53.331 1.00 0.00 ATOM 78 N ASP A 11 -11.585 56.137 53.116 1.00 0.00 ATOM 79 CA ASP A 11 -12.918 56.669 52.766 1.00 0.00 ATOM 80 CB ASP A 11 -13.101 56.707 51.248 1.00 0.00 ATOM 81 CG ASP A 11 -13.216 55.337 50.594 1.00 0.00 ATOM 82 OD1 ASP A 11 -12.200 54.733 50.342 1.00 0.00 ATOM 83 OD2 ASP A 11 -14.311 54.839 50.494 1.00 0.00 ATOM 84 O ASP A 11 -13.708 54.705 53.891 1.00 0.00 ATOM 85 C ASP A 11 -13.986 55.812 53.426 1.00 0.00 ATOM 86 N ASP A 12 -15.207 56.325 53.412 1.00 0.00 ATOM 87 CA ASP A 12 -16.357 55.653 54.032 1.00 0.00 ATOM 88 CB ASP A 12 -16.777 56.380 55.312 1.00 0.00 ATOM 89 CG ASP A 12 -17.267 57.806 55.094 1.00 0.00 ATOM 90 OD1 ASP A 12 -18.290 57.973 54.473 1.00 0.00 ATOM 91 OD2 ASP A 12 -16.707 58.701 55.680 1.00 0.00 ATOM 92 O ASP A 12 -17.745 56.117 52.076 1.00 0.00 ATOM 93 C ASP A 12 -17.598 55.519 53.138 1.00 0.00 ATOM 94 N PHE A 13 -18.556 54.804 53.707 1.00 0.00 ATOM 95 CA PHE A 13 -19.911 54.537 53.185 1.00 0.00 ATOM 96 CB PHE A 13 -19.935 53.215 52.415 1.00 0.00 ATOM 97 CG PHE A 13 -19.173 53.252 51.122 1.00 0.00 ATOM 98 CD1 PHE A 13 -17.866 52.794 51.056 1.00 0.00 ATOM 99 CD2 PHE A 13 -19.762 53.746 49.967 1.00 0.00 ATOM 100 CE1 PHE A 13 -17.164 52.828 49.866 1.00 0.00 ATOM 101 CE2 PHE A 13 -19.064 53.779 48.776 1.00 0.00 ATOM 102 CZ PHE A 13 -17.762 53.321 48.726 1.00 0.00 ATOM 103 O PHE A 13 -20.551 53.835 55.383 1.00 0.00 ATOM 104 C PHE A 13 -20.813 54.544 54.442 1.00 0.00 ATOM 105 N GLY A 14 -21.463 55.649 54.731 1.00 0.00 ATOM 106 CA GLY A 14 -20.952 56.360 56.050 1.00 0.00 ATOM 107 O GLY A 14 -21.264 58.137 56.871 1.00 0.00 ATOM 108 C GLY A 14 -20.192 57.551 56.934 1.00 0.00 ATOM 109 N TYR A 15 -19.127 58.244 57.770 1.00 0.00 ATOM 110 CA TYR A 15 -17.831 58.630 58.800 1.00 0.00 ATOM 111 CB TYR A 15 -16.743 59.929 58.974 1.00 0.00 ATOM 112 CG TYR A 15 -15.413 60.525 59.875 1.00 0.00 ATOM 113 CD1 TYR A 15 -14.005 60.463 59.530 1.00 0.00 ATOM 114 CD2 TYR A 15 -15.334 61.084 61.217 1.00 0.00 ATOM 115 CE1 TYR A 15 -12.848 60.782 60.310 1.00 0.00 ATOM 116 CE2 TYR A 15 -14.203 61.380 62.046 1.00 0.00 ATOM 117 CZ TYR A 15 -12.903 61.230 61.618 1.00 0.00 ATOM 118 OH TYR A 15 -11.794 61.475 62.407 1.00 0.00 ATOM 119 O TYR A 15 -18.214 59.080 61.158 1.00 0.00 ATOM 120 C TYR A 15 -17.471 58.472 60.385 1.00 0.00 ATOM 121 N THR A 16 -16.272 58.144 61.048 1.00 0.00 ATOM 122 CA THR A 16 -16.347 57.460 62.393 1.00 0.00 ATOM 123 CB THR A 16 -15.997 55.964 62.288 1.00 0.00 ATOM 124 CG2 THR A 16 -16.103 55.294 63.649 1.00 0.00 ATOM 125 OG1 THR A 16 -16.896 55.324 61.373 1.00 0.00 ATOM 126 O THR A 16 -14.470 57.267 63.938 1.00 0.00 ATOM 127 C THR A 16 -15.567 57.793 63.726 1.00 0.00 ATOM 128 N PRO A 17 -16.238 58.329 64.770 1.00 0.00 ATOM 129 CA PRO A 17 -15.604 58.657 66.062 1.00 0.00 ATOM 130 CB PRO A 17 -16.647 59.455 66.848 1.00 0.00 ATOM 131 CG PRO A 17 -17.952 58.829 66.364 1.00 0.00 ATOM 132 CD PRO A 17 -17.692 58.572 64.872 1.00 0.00 ATOM 133 O PRO A 17 -14.246 57.651 67.740 1.00 0.00 ATOM 134 C PRO A 17 -15.096 57.461 66.884 1.00 0.00 ATOM 135 N ALA A 18 -15.609 56.266 66.623 1.00 0.00 ATOM 136 CA ALA A 18 -15.189 55.063 67.361 1.00 0.00 ATOM 137 CB ALA A 18 -16.389 54.135 67.510 1.00 0.00 ATOM 138 O ALA A 18 -13.463 53.442 67.450 1.00 0.00 ATOM 139 C ALA A 18 -13.970 54.335 66.786 1.00 0.00 ATOM 140 N VAL A 19 -13.564 54.701 65.562 1.00 0.00 ATOM 141 CA VAL A 19 -12.466 54.008 64.847 1.00 0.00 ATOM 142 CB VAL A 19 -12.956 53.124 63.676 1.00 0.00 ATOM 143 CG1 VAL A 19 -11.855 52.368 62.928 1.00 0.00 ATOM 144 CG2 VAL A 19 -13.827 52.020 64.207 1.00 0.00 ATOM 145 O VAL A 19 -10.147 54.581 64.424 1.00 0.00 ATOM 146 C VAL A 19 -11.334 54.901 64.349 1.00 0.00 ATOM 147 N THR A 20 -11.760 55.925 63.616 1.00 0.00 ATOM 148 CA THR A 20 -10.824 56.817 62.912 1.00 0.00 ATOM 149 CB THR A 20 -11.545 58.048 62.332 1.00 0.00 ATOM 150 CG2 THR A 20 -12.564 57.624 61.285 1.00 0.00 ATOM 151 OG1 THR A 20 -12.211 58.755 63.385 1.00 0.00 ATOM 152 O THR A 20 -8.565 57.477 63.359 1.00 0.00 ATOM 153 C THR A 20 -9.686 57.305 63.823 1.00 0.00 ATOM 154 N GLN A 21 -10.044 57.675 65.057 1.00 0.00 ATOM 155 CA GLN A 21 -9.035 58.153 66.029 1.00 0.00 ATOM 156 CB GLN A 21 -9.689 58.444 67.381 1.00 0.00 ATOM 157 CG GLN A 21 -8.743 59.025 68.419 1.00 0.00 ATOM 158 CD GLN A 21 -8.247 60.408 68.041 1.00 0.00 ATOM 159 OE1 GLN A 21 -9.027 61.268 67.618 1.00 0.00 ATOM 160 NE2 GLN A 21 -6.947 60.630 68.189 1.00 0.00 ATOM 161 O GLN A 21 -6.737 57.555 66.156 1.00 0.00 ATOM 162 C GLN A 21 -7.897 57.162 66.238 1.00 0.00 ATOM 163 N GLY A 22 -8.267 55.886 66.373 1.00 0.00 ATOM 164 CA GLY A 22 -7.306 54.779 66.543 1.00 0.00 ATOM 165 O GLY A 22 -5.179 54.565 65.405 1.00 0.00 ATOM 166 C GLY A 22 -6.407 54.631 65.308 1.00 0.00 ATOM 167 N ILE A 23 -7.029 54.837 64.145 1.00 0.00 ATOM 168 CA ILE A 23 -6.298 54.826 62.866 1.00 0.00 ATOM 169 CB ILE A 23 -7.258 54.914 61.666 1.00 0.00 ATOM 170 CG1 ILE A 23 -8.101 53.640 61.560 1.00 0.00 ATOM 171 CG2 ILE A 23 -6.483 55.153 60.380 1.00 0.00 ATOM 172 CD1 ILE A 23 -9.248 53.747 60.581 1.00 0.00 ATOM 173 O ILE A 23 -4.137 55.788 62.471 1.00 0.00 ATOM 174 C ILE A 23 -5.291 56.001 62.815 1.00 0.00 ATOM 175 N ILE A 24 -5.731 57.181 63.249 1.00 0.00 ATOM 176 CA ILE A 24 -4.866 58.381 63.291 1.00 0.00 ATOM 177 CB ILE A 24 -5.643 59.649 63.692 1.00 0.00 ATOM 178 CG1 ILE A 24 -6.664 60.000 62.611 1.00 0.00 ATOM 179 CG2 ILE A 24 -4.713 60.865 63.871 1.00 0.00 ATOM 180 CD1 ILE A 24 -7.651 61.094 63.032 1.00 0.00 ATOM 181 O ILE A 24 -2.541 58.121 63.793 1.00 0.00 ATOM 182 C ILE A 24 -3.683 58.127 64.235 1.00 0.00 ATOM 183 N GLU A 25 -4.010 57.702 65.458 1.00 0.00 ATOM 184 CA GLU A 25 -2.990 57.359 66.461 1.00 0.00 ATOM 185 CB GLU A 25 -3.647 56.805 67.728 1.00 0.00 ATOM 186 CG GLU A 25 -4.376 57.847 68.564 1.00 0.00 ATOM 187 CD GLU A 25 -3.438 58.921 69.041 1.00 0.00 ATOM 188 OE1 GLU A 25 -2.427 58.589 69.611 1.00 0.00 ATOM 189 OE2 GLU A 25 -3.675 60.066 68.738 1.00 0.00 ATOM 190 O GLU A 25 -0.783 56.539 66.020 1.00 0.00 ATOM 191 C GLU A 25 -1.987 56.350 65.903 1.00 0.00 ATOM 192 N ALA A 26 -2.510 55.366 65.163 1.00 0.00 ATOM 193 CA ALA A 26 -1.693 54.327 64.522 1.00 0.00 ATOM 194 CB ALA A 26 -2.563 53.234 63.900 1.00 0.00 ATOM 195 O ALA A 26 0.421 54.588 63.477 1.00 0.00 ATOM 196 C ALA A 26 -0.768 54.885 63.431 1.00 0.00 ATOM 197 N HIS A 27 -1.292 55.763 62.567 1.00 0.00 ATOM 198 CA HIS A 27 -0.516 56.434 61.510 1.00 0.00 ATOM 199 CB HIS A 27 -1.428 57.298 60.635 1.00 0.00 ATOM 200 CG HIS A 27 -2.229 56.513 59.642 1.00 0.00 ATOM 201 CD2 HIS A 27 -2.112 55.235 59.214 1.00 0.00 ATOM 202 ND1 HIS A 27 -3.305 57.049 58.963 1.00 0.00 ATOM 203 CE1 HIS A 27 -3.813 56.132 58.160 1.00 0.00 ATOM 204 NE2 HIS A 27 -3.108 55.024 58.294 1.00 0.00 ATOM 205 O HIS A 27 1.767 57.138 61.692 1.00 0.00 ATOM 206 C HIS A 27 0.613 57.302 62.082 1.00 0.00 ATOM 207 N LYS A 28 0.309 57.958 63.210 1.00 0.00 ATOM 208 CA LYS A 28 1.353 58.742 63.908 1.00 0.00 ATOM 209 CB LYS A 28 0.725 59.638 64.977 1.00 0.00 ATOM 210 CG LYS A 28 -0.083 60.805 64.425 1.00 0.00 ATOM 211 CD LYS A 28 -0.545 61.735 65.536 1.00 0.00 ATOM 212 CE LYS A 28 -1.650 61.098 66.366 1.00 0.00 ATOM 213 NZ LYS A 28 -2.186 62.034 67.392 1.00 0.00 ATOM 214 O LYS A 28 3.575 58.178 64.494 1.00 0.00 ATOM 215 C LYS A 28 2.401 57.840 64.541 1.00 0.00 ATOM 216 N ARG A 29 1.953 56.718 65.080 1.00 0.00 ATOM 217 CA ARG A 29 2.876 55.771 65.726 1.00 0.00 ATOM 218 CB ARG A 29 2.141 54.626 66.405 1.00 0.00 ATOM 219 CG ARG A 29 1.344 55.017 67.638 1.00 0.00 ATOM 220 CD ARG A 29 0.659 53.884 68.311 1.00 0.00 ATOM 221 NE ARG A 29 -0.176 54.268 69.438 1.00 0.00 ATOM 222 CZ ARG A 29 0.281 54.520 70.679 1.00 0.00 ATOM 223 NH1 ARG A 29 1.557 54.394 70.970 1.00 0.00 ATOM 224 NH2 ARG A 29 -0.591 54.874 71.606 1.00 0.00 ATOM 225 O ARG A 29 5.104 55.272 65.095 1.00 0.00 ATOM 226 C ARG A 29 3.939 55.235 64.762 1.00 0.00 ATOM 227 N GLY A 30 3.508 54.980 63.532 1.00 0.00 ATOM 228 CA GLY A 30 4.434 54.446 62.520 1.00 0.00 ATOM 229 O GLY A 30 5.657 55.174 60.620 1.00 0.00 ATOM 230 C GLY A 30 5.040 55.514 61.614 1.00 0.00 ATOM 231 N VAL A 31 4.765 56.783 61.922 1.00 0.00 ATOM 232 CA VAL A 31 5.439 57.918 61.257 1.00 0.00 ATOM 233 CB VAL A 31 6.970 57.825 61.395 1.00 0.00 ATOM 234 CG1 VAL A 31 7.631 59.082 60.850 1.00 0.00 ATOM 235 CG2 VAL A 31 7.363 57.608 62.849 1.00 0.00 ATOM 236 O VAL A 31 5.861 58.294 58.918 1.00 0.00 ATOM 237 C VAL A 31 5.045 57.951 59.767 1.00 0.00 ATOM 238 N VAL A 32 3.759 57.738 59.476 1.00 0.00 ATOM 239 CA VAL A 32 3.260 57.716 58.088 1.00 0.00 ATOM 240 CB VAL A 32 2.863 56.293 57.653 1.00 0.00 ATOM 241 CG1 VAL A 32 4.073 55.369 57.686 1.00 0.00 ATOM 242 CG2 VAL A 32 1.757 55.750 58.544 1.00 0.00 ATOM 243 O VAL A 32 1.294 58.853 58.832 1.00 0.00 ATOM 244 C VAL A 32 2.051 58.639 57.892 1.00 0.00 ATOM 245 N THR A 33 1.833 58.960 56.632 1.00 0.00 ATOM 246 CA THR A 33 0.720 59.819 56.170 1.00 0.00 ATOM 247 CB THR A 33 1.166 60.853 55.149 1.00 0.00 ATOM 248 CG2 THR A 33 2.547 61.332 55.368 1.00 0.00 ATOM 249 OG1 THR A 33 1.605 60.365 53.895 1.00 0.00 ATOM 250 O THR A 33 0.119 58.009 54.733 1.00 0.00 ATOM 251 C THR A 33 -0.261 58.991 55.365 1.00 0.00 ATOM 252 N SER A 34 -1.466 59.535 55.246 1.00 0.00 ATOM 253 CA SER A 34 -2.454 58.934 54.339 1.00 0.00 ATOM 254 CB SER A 34 -3.356 57.983 55.104 1.00 0.00 ATOM 255 OG SER A 34 -4.166 58.657 56.028 1.00 0.00 ATOM 256 O SER A 34 -3.112 61.143 53.691 1.00 0.00 ATOM 257 C SER A 34 -3.314 59.960 53.609 1.00 0.00 ATOM 258 N THR A 35 -4.232 59.576 52.769 1.00 0.00 ATOM 259 CA THR A 35 -5.114 60.559 52.125 1.00 0.00 ATOM 260 CB THR A 35 -4.831 60.593 50.625 1.00 0.00 ATOM 261 CG2 THR A 35 -5.803 61.432 49.791 1.00 0.00 ATOM 262 OG1 THR A 35 -3.484 60.975 50.376 1.00 0.00 ATOM 263 O THR A 35 -6.879 58.964 52.258 1.00 0.00 ATOM 264 C THR A 35 -6.526 60.115 52.443 1.00 0.00 ATOM 265 N THR A 36 -7.308 61.038 52.961 1.00 0.00 ATOM 266 CA THR A 36 -8.634 60.623 53.438 1.00 0.00 ATOM 267 CB THR A 36 -8.800 61.043 54.899 1.00 0.00 ATOM 268 CG2 THR A 36 -10.124 60.589 55.494 1.00 0.00 ATOM 269 OG1 THR A 36 -7.761 60.394 55.628 1.00 0.00 ATOM 270 O THR A 36 -9.549 62.518 52.664 1.00 0.00 ATOM 271 C THR A 36 -9.649 61.322 52.570 1.00 0.00 ATOM 272 N ALA A 37 -10.471 60.606 51.818 1.00 0.00 ATOM 273 CA ALA A 37 -11.540 61.136 50.950 1.00 0.00 ATOM 274 CB ALA A 37 -11.691 60.159 49.799 1.00 0.00 ATOM 275 O ALA A 37 -13.498 60.180 52.013 1.00 0.00 ATOM 276 C ALA A 37 -12.869 61.199 51.716 1.00 0.00 ATOM 277 N LEU A 38 -13.188 62.420 52.116 1.00 0.00 ATOM 278 CA LEU A 38 -14.312 62.694 53.050 1.00 0.00 ATOM 279 CB LEU A 38 -13.931 63.815 54.025 1.00 0.00 ATOM 280 CG LEU A 38 -14.709 63.825 55.345 1.00 0.00 ATOM 281 CD1 LEU A 38 -14.173 62.746 56.277 1.00 0.00 ATOM 282 CD2 LEU A 38 -14.600 65.199 55.991 1.00 0.00 ATOM 283 O LEU A 38 -15.544 63.455 51.197 1.00 0.00 ATOM 284 C LEU A 38 -15.645 63.076 52.368 1.00 0.00 ATOM 285 N PRO A 39 -16.775 62.698 53.031 1.00 0.00 ATOM 286 CA PRO A 39 -18.203 63.192 53.026 1.00 0.00 ATOM 287 CB PRO A 39 -19.067 61.933 52.891 1.00 0.00 ATOM 288 CG PRO A 39 -18.076 60.773 52.932 1.00 0.00 ATOM 289 CD PRO A 39 -16.811 61.343 53.556 1.00 0.00 ATOM 290 O PRO A 39 -18.045 65.134 54.326 1.00 0.00 ATOM 291 C PRO A 39 -18.559 64.031 54.305 1.00 0.00 ATOM 292 N THR A 40 -19.424 63.761 55.335 1.00 0.00 ATOM 293 CA THR A 40 -19.042 63.481 56.767 1.00 0.00 ATOM 294 CB THR A 40 -18.079 62.329 56.855 1.00 0.00 ATOM 295 CG2 THR A 40 -18.769 61.074 56.344 1.00 0.00 ATOM 296 OG1 THR A 40 -16.862 62.778 56.240 1.00 0.00 ATOM 297 O THR A 40 -18.071 64.192 58.901 1.00 0.00 ATOM 298 C THR A 40 -18.413 64.494 57.750 1.00 0.00 ATOM 299 N SER A 41 -18.185 65.675 57.231 1.00 0.00 ATOM 300 CA SER A 41 -17.505 66.770 57.949 1.00 0.00 ATOM 301 CB SER A 41 -17.099 67.860 56.975 1.00 0.00 ATOM 302 OG SER A 41 -16.676 69.022 57.633 1.00 0.00 ATOM 303 O SER A 41 -17.803 67.667 60.152 1.00 0.00 ATOM 304 C SER A 41 -18.343 67.393 59.071 1.00 0.00 ATOM 305 N PRO A 42 -19.656 67.620 58.888 1.00 0.00 ATOM 306 CA PRO A 42 -20.510 68.258 59.907 1.00 0.00 ATOM 307 CB PRO A 42 -21.891 68.245 59.292 1.00 0.00 ATOM 308 CG PRO A 42 -21.655 68.325 57.808 1.00 0.00 ATOM 309 CD PRO A 42 -20.494 67.350 57.694 1.00 0.00 ATOM 310 O PRO A 42 -20.370 66.182 61.096 1.00 0.00 ATOM 311 C PRO A 42 -20.532 67.394 61.174 1.00 0.00 ATOM 312 N TYR A 43 -20.668 68.045 62.324 1.00 0.00 ATOM 313 CA TYR A 43 -20.510 67.464 63.667 1.00 0.00 ATOM 314 CB TYR A 43 -21.560 66.377 63.908 1.00 0.00 ATOM 315 CG TYR A 43 -22.987 66.866 63.781 1.00 0.00 ATOM 316 CD1 TYR A 43 -23.741 66.580 62.652 1.00 0.00 ATOM 317 CD2 TYR A 43 -23.575 67.609 64.794 1.00 0.00 ATOM 318 CE1 TYR A 43 -25.043 67.024 62.533 1.00 0.00 ATOM 319 CE2 TYR A 43 -24.878 68.057 64.684 1.00 0.00 ATOM 320 CZ TYR A 43 -25.608 67.763 63.552 1.00 0.00 ATOM 321 OH TYR A 43 -26.906 68.205 63.438 1.00 0.00 ATOM 322 O TYR A 43 -18.828 66.489 65.092 1.00 0.00 ATOM 323 C TYR A 43 -19.128 66.854 63.965 1.00 0.00 ATOM 324 N PHE A 44 -18.298 66.766 62.926 1.00 0.00 ATOM 325 CA PHE A 44 -16.977 66.135 62.968 1.00 0.00 ATOM 326 CB PHE A 44 -16.948 64.894 62.075 1.00 0.00 ATOM 327 CG PHE A 44 -17.742 63.739 62.618 1.00 0.00 ATOM 328 CD1 PHE A 44 -18.872 63.283 61.954 1.00 0.00 ATOM 329 CD2 PHE A 44 -17.362 63.108 63.792 1.00 0.00 ATOM 330 CE1 PHE A 44 -19.604 62.221 62.453 1.00 0.00 ATOM 331 CE2 PHE A 44 -18.091 62.045 64.292 1.00 0.00 ATOM 332 CZ PHE A 44 -19.214 61.602 63.621 1.00 0.00 ATOM 333 O PHE A 44 -14.756 66.671 62.207 1.00 0.00 ATOM 334 C PHE A 44 -15.855 67.094 62.544 1.00 0.00 ATOM 335 N LEU A 45 -16.111 68.384 62.719 1.00 0.00 ATOM 336 CA LEU A 45 -15.137 69.411 62.286 1.00 0.00 ATOM 337 CB LEU A 45 -15.721 70.815 62.488 1.00 0.00 ATOM 338 CG LEU A 45 -16.881 71.181 61.553 1.00 0.00 ATOM 339 CD1 LEU A 45 -17.488 72.513 61.971 1.00 0.00 ATOM 340 CD2 LEU A 45 -16.376 71.246 60.120 1.00 0.00 ATOM 341 O LEU A 45 -12.762 69.213 62.347 1.00 0.00 ATOM 342 C LEU A 45 -13.784 69.315 63.014 1.00 0.00 ATOM 343 N GLU A 46 -13.834 69.064 64.329 1.00 0.00 ATOM 344 CA GLU A 46 -12.596 68.915 65.126 1.00 0.00 ATOM 345 CB GLU A 46 -12.927 68.827 66.618 1.00 0.00 ATOM 346 CG GLU A 46 -13.426 70.128 67.230 1.00 0.00 ATOM 347 CD GLU A 46 -13.844 69.933 68.660 1.00 0.00 ATOM 348 OE1 GLU A 46 -13.811 68.818 69.123 1.00 0.00 ATOM 349 OE2 GLU A 46 -14.087 70.913 69.325 1.00 0.00 ATOM 350 O GLU A 46 -10.582 67.755 64.589 1.00 0.00 ATOM 351 C GLU A 46 -11.801 67.687 64.694 1.00 0.00 ATOM 352 N ALA A 47 -12.516 66.605 64.393 1.00 0.00 ATOM 353 CA ALA A 47 -11.894 65.375 63.879 1.00 0.00 ATOM 354 CB ALA A 47 -12.934 64.263 63.831 1.00 0.00 ATOM 355 O ALA A 47 -10.113 65.206 62.263 1.00 0.00 ATOM 356 C ALA A 47 -11.251 65.585 62.496 1.00 0.00 ATOM 357 N MET A 48 -11.949 66.328 61.631 1.00 0.00 ATOM 358 CA MET A 48 -11.403 66.693 60.313 1.00 0.00 ATOM 359 CB MET A 48 -12.468 67.403 59.480 1.00 0.00 ATOM 360 CG MET A 48 -11.945 68.034 58.197 1.00 0.00 ATOM 361 SD MET A 48 -13.270 68.596 57.108 1.00 0.00 ATOM 362 CE MET A 48 -13.852 70.034 58.001 1.00 0.00 ATOM 363 O MET A 48 -9.140 67.327 59.811 1.00 0.00 ATOM 364 C MET A 48 -10.159 67.580 60.452 1.00 0.00 ATOM 365 N GLU A 49 -10.238 68.558 61.348 1.00 0.00 ATOM 366 CA GLU A 49 -9.053 69.403 61.627 1.00 0.00 ATOM 367 CB GLU A 49 -9.409 70.515 62.617 1.00 0.00 ATOM 368 CG GLU A 49 -10.312 71.599 62.046 1.00 0.00 ATOM 369 CD GLU A 49 -10.708 72.593 63.104 1.00 0.00 ATOM 370 OE1 GLU A 49 -10.349 72.398 64.240 1.00 0.00 ATOM 371 OE2 GLU A 49 -11.272 73.605 62.758 1.00 0.00 ATOM 372 O GLU A 49 -6.737 68.768 61.746 1.00 0.00 ATOM 373 C GLU A 49 -7.875 68.588 62.173 1.00 0.00 ATOM 374 N SER A 50 -8.221 67.586 62.972 1.00 0.00 ATOM 375 CA SER A 50 -7.223 66.680 63.555 1.00 0.00 ATOM 376 CB SER A 50 -7.867 65.803 64.612 1.00 0.00 ATOM 377 OG SER A 50 -8.306 66.546 65.715 1.00 0.00 ATOM 378 O SER A 50 -5.325 65.632 62.532 1.00 0.00 ATOM 379 C SER A 50 -6.543 65.800 62.502 1.00 0.00 ATOM 380 N ALA A 51 -7.304 65.350 61.501 1.00 0.00 ATOM 381 CA ALA A 51 -6.736 64.568 60.380 1.00 0.00 ATOM 382 CB ALA A 51 -7.825 64.148 59.372 1.00 0.00 ATOM 383 O ALA A 51 -4.523 64.957 59.547 1.00 0.00 ATOM 384 C ALA A 51 -5.669 65.384 59.652 1.00 0.00 ATOM 385 N ARG A 52 -6.050 66.637 59.397 1.00 0.00 ATOM 386 CA ARG A 52 -5.174 67.604 58.767 1.00 0.00 ATOM 387 CB ARG A 52 -5.897 68.902 58.437 1.00 0.00 ATOM 388 CG ARG A 52 -5.050 69.939 57.715 1.00 0.00 ATOM 389 CD ARG A 52 -5.736 71.236 57.482 1.00 0.00 ATOM 390 NE ARG A 52 -6.048 71.979 58.691 1.00 0.00 ATOM 391 CZ ARG A 52 -5.158 72.704 59.395 1.00 0.00 ATOM 392 NH1 ARG A 52 -3.894 72.756 59.038 1.00 0.00 ATOM 393 NH2 ARG A 52 -5.585 73.343 60.471 1.00 0.00 ATOM 394 O ARG A 52 -2.988 67.864 58.883 1.00 0.00 ATOM 395 C ARG A 52 -3.941 67.859 59.599 1.00 0.00 ATOM 396 N ILE A 53 -3.968 68.182 60.892 1.00 0.00 ATOM 397 CA ILE A 53 -2.737 68.504 61.665 1.00 0.00 ATOM 398 CB ILE A 53 -3.095 69.151 63.012 1.00 0.00 ATOM 399 CG1 ILE A 53 -3.722 70.513 62.714 1.00 0.00 ATOM 400 CG2 ILE A 53 -1.920 69.292 63.993 1.00 0.00 ATOM 401 CD1 ILE A 53 -4.341 71.099 63.965 1.00 0.00 ATOM 402 O ILE A 53 -0.612 67.306 61.909 1.00 0.00 ATOM 403 C ILE A 53 -1.834 67.269 61.861 1.00 0.00 ATOM 404 N SER A 54 -2.461 66.132 62.046 1.00 0.00 ATOM 405 CA SER A 54 -1.699 64.876 62.148 1.00 0.00 ATOM 406 CB SER A 54 -2.628 63.727 62.487 1.00 0.00 ATOM 407 OG SER A 54 -3.543 63.470 61.458 1.00 0.00 ATOM 408 O SER A 54 0.230 64.170 60.902 1.00 0.00 ATOM 409 C SER A 54 -0.933 64.562 60.874 1.00 0.00 ATOM 410 N ALA A 55 -1.556 64.918 59.753 1.00 0.00 ATOM 411 CA ALA A 55 -0.866 64.873 58.473 1.00 0.00 ATOM 412 CB ALA A 55 -1.760 65.374 57.413 1.00 0.00 ATOM 413 O ALA A 55 1.377 65.324 58.341 1.00 0.00 ATOM 414 C ALA A 55 0.336 65.797 58.385 1.00 0.00 ATOM 415 N PRO A 56 0.465 67.084 58.521 1.00 0.00 ATOM 416 CA PRO A 56 1.721 67.841 58.404 1.00 0.00 ATOM 417 CB PRO A 56 1.289 69.183 58.959 1.00 0.00 ATOM 418 CG PRO A 56 -0.193 69.251 58.664 1.00 0.00 ATOM 419 CD PRO A 56 -0.457 67.891 59.200 1.00 0.00 ATOM 420 O PRO A 56 4.003 67.195 58.536 1.00 0.00 ATOM 421 C PRO A 56 2.934 67.215 59.148 1.00 0.00 ATOM 422 N THR A 57 2.719 66.452 60.232 1.00 0.00 ATOM 423 CA THR A 57 3.793 65.645 60.882 1.00 0.00 ATOM 424 CB THR A 57 3.319 65.046 62.220 1.00 0.00 ATOM 425 CG2 THR A 57 4.412 64.186 62.836 1.00 0.00 ATOM 426 OG1 THR A 57 2.981 66.105 63.125 1.00 0.00 ATOM 427 O THR A 57 5.331 63.928 60.191 1.00 0.00 ATOM 428 C THR A 57 4.266 64.506 59.960 1.00 0.00 ATOM 429 N LEU A 58 3.222 63.944 59.369 1.00 0.00 ATOM 430 CA LEU A 58 3.162 63.253 58.057 1.00 0.00 ATOM 431 CB LEU A 58 2.703 61.879 58.451 1.00 0.00 ATOM 432 CG LEU A 58 3.755 60.890 58.828 1.00 0.00 ATOM 433 CD1 LEU A 58 5.037 60.977 58.001 1.00 0.00 ATOM 434 CD2 LEU A 58 3.815 60.901 60.350 1.00 0.00 ATOM 435 O LEU A 58 0.961 63.343 56.990 1.00 0.00 ATOM 436 C LEU A 58 2.152 63.674 56.933 1.00 0.00 ATOM 437 N ALA A 59 2.553 64.217 55.801 1.00 0.00 ATOM 438 CA ALA A 59 1.605 64.878 54.848 1.00 0.00 ATOM 439 CB ALA A 59 2.465 65.423 53.708 1.00 0.00 ATOM 440 O ALA A 59 0.734 63.029 53.562 1.00 0.00 ATOM 441 C ALA A 59 0.476 63.997 54.266 1.00 0.00 ATOM 442 N ILE A 60 -0.766 64.489 54.309 1.00 0.00 ATOM 443 CA ILE A 60 -1.919 63.730 53.803 1.00 0.00 ATOM 444 CB ILE A 60 -2.918 63.397 54.919 1.00 0.00 ATOM 445 CG1 ILE A 60 -3.903 64.512 55.311 1.00 0.00 ATOM 446 CG2 ILE A 60 -2.189 62.501 55.934 1.00 0.00 ATOM 447 CD1 ILE A 60 -4.863 64.136 56.452 1.00 0.00 ATOM 448 O ILE A 60 -2.704 65.716 52.740 1.00 0.00 ATOM 449 C ILE A 60 -2.635 64.488 52.685 1.00 0.00 ATOM 450 N GLY A 61 -3.302 63.722 51.834 1.00 0.00 ATOM 451 CA GLY A 61 -4.206 64.304 50.859 1.00 0.00 ATOM 452 O GLY A 61 -6.056 63.510 52.183 1.00 0.00 ATOM 453 C GLY A 61 -5.645 64.320 51.349 1.00 0.00 ATOM 454 N VAL A 62 -6.304 65.366 50.893 1.00 0.00 ATOM 455 CA VAL A 62 -7.719 65.572 51.147 1.00 0.00 ATOM 456 CB VAL A 62 -7.790 66.381 52.517 1.00 0.00 ATOM 457 CG1 VAL A 62 -7.191 65.744 53.784 1.00 0.00 ATOM 458 CG2 VAL A 62 -7.384 67.847 52.543 1.00 0.00 ATOM 459 O VAL A 62 -7.837 66.171 48.846 1.00 0.00 ATOM 460 C VAL A 62 -8.529 65.911 49.805 1.00 0.00 ATOM 461 N HIS A 63 -9.790 65.706 49.342 1.00 0.00 ATOM 462 CA HIS A 63 -10.824 64.723 49.739 1.00 0.00 ATOM 463 CB HIS A 63 -10.460 64.343 51.111 1.00 0.00 ATOM 464 CG HIS A 63 -10.578 65.465 52.144 1.00 0.00 ATOM 465 CD2 HIS A 63 -10.785 66.791 52.075 1.00 0.00 ATOM 466 ND1 HIS A 63 -10.820 65.075 53.360 1.00 0.00 ATOM 467 CE1 HIS A 63 -11.186 66.137 54.020 1.00 0.00 ATOM 468 NE2 HIS A 63 -11.175 67.210 53.275 1.00 0.00 ATOM 469 O HIS A 63 -12.930 65.005 50.942 1.00 0.00 ATOM 470 C HIS A 63 -12.322 65.059 49.874 1.00 0.00 ATOM 471 N LEU A 64 -12.964 65.215 48.746 1.00 0.00 ATOM 472 CA LEU A 64 -14.434 65.405 48.728 1.00 0.00 ATOM 473 CB LEU A 64 -14.782 66.795 48.179 1.00 0.00 ATOM 474 CG LEU A 64 -16.282 67.112 48.110 1.00 0.00 ATOM 475 CD1 LEU A 64 -16.855 67.240 49.515 1.00 0.00 ATOM 476 CD2 LEU A 64 -16.494 68.396 47.322 1.00 0.00 ATOM 477 O LEU A 64 -14.524 64.020 46.841 1.00 0.00 ATOM 478 C LEU A 64 -15.095 64.291 47.885 1.00 0.00 ATOM 479 N THR A 65 -16.284 63.784 48.283 1.00 0.00 ATOM 480 CA THR A 65 -17.171 62.851 47.434 1.00 0.00 ATOM 481 CB THR A 65 -16.645 61.509 48.238 1.00 0.00 ATOM 482 CG2 THR A 65 -16.978 60.132 47.662 1.00 0.00 ATOM 483 OG1 THR A 65 -15.211 61.249 48.572 1.00 0.00 ATOM 484 O THR A 65 -19.244 63.224 48.066 1.00 0.00 ATOM 485 C THR A 65 -18.742 63.394 46.962 1.00 0.00 ATOM 486 N LEU A 66 -19.633 63.914 45.822 1.00 0.00 ATOM 487 CA LEU A 66 -20.980 64.730 45.163 1.00 0.00 ATOM 488 CB LEU A 66 -21.067 66.153 45.730 1.00 0.00 ATOM 489 CG LEU A 66 -21.349 66.239 47.236 1.00 0.00 ATOM 490 CD1 LEU A 66 -21.283 67.690 47.696 1.00 0.00 ATOM 491 CD2 LEU A 66 -22.716 65.643 47.532 1.00 0.00 ATOM 492 O LEU A 66 -21.073 65.881 43.094 1.00 0.00 ATOM 493 C LEU A 66 -21.934 65.357 43.764 1.00 0.00 ATOM 494 N THR A 67 -23.135 65.844 42.952 1.00 0.00 ATOM 495 CA THR A 67 -23.996 65.937 41.570 1.00 0.00 ATOM 496 CB THR A 67 -23.274 66.788 40.511 1.00 0.00 ATOM 497 CG2 THR A 67 -24.198 67.080 39.339 1.00 0.00 ATOM 498 OG1 THR A 67 -22.845 68.024 41.097 1.00 0.00 ATOM 499 O THR A 67 -23.481 63.825 41.047 1.00 0.00 ATOM 500 C THR A 67 -24.374 64.607 40.833 1.00 0.00 ATOM 501 N LEU A 68 -25.300 64.185 39.891 1.00 0.00 ATOM 502 CA LEU A 68 -25.180 62.774 39.393 1.00 0.00 ATOM 503 CB LEU A 68 -26.397 62.410 38.534 1.00 0.00 ATOM 504 CG LEU A 68 -26.289 61.078 37.779 1.00 0.00 ATOM 505 CD1 LEU A 68 -25.956 59.953 38.750 1.00 0.00 ATOM 506 CD2 LEU A 68 -27.597 60.796 37.055 1.00 0.00 ATOM 507 O LEU A 68 -23.040 61.681 38.850 1.00 0.00 ATOM 508 C LEU A 68 -23.892 62.524 38.583 1.00 0.00 ATOM 509 N ASN A 69 -23.682 63.369 37.593 1.00 0.00 ATOM 510 CA ASN A 69 -22.585 63.167 36.631 1.00 0.00 ATOM 511 CB ASN A 69 -23.104 62.669 35.295 1.00 0.00 ATOM 512 CG ASN A 69 -23.701 61.289 35.355 1.00 0.00 ATOM 513 ND2 ASN A 69 -24.559 61.005 34.408 1.00 0.00 ATOM 514 OD1 ASN A 69 -23.334 60.468 36.202 1.00 0.00 ATOM 515 O ASN A 69 -21.015 64.460 35.373 1.00 0.00 ATOM 516 C ASN A 69 -21.714 64.404 36.371 1.00 0.00 ATOM 517 N GLN A 70 -21.778 65.313 37.329 1.00 0.00 ATOM 518 CA GLN A 70 -21.046 66.579 37.401 1.00 0.00 ATOM 519 CB GLN A 70 -19.756 66.431 38.235 1.00 0.00 ATOM 520 CG GLN A 70 -20.006 66.153 39.719 1.00 0.00 ATOM 521 CD GLN A 70 -18.880 65.538 40.517 1.00 0.00 ATOM 522 OE1 GLN A 70 -18.933 64.413 40.986 1.00 0.00 ATOM 523 NE2 GLN A 70 -17.755 66.224 40.496 1.00 0.00 ATOM 524 O GLN A 70 -20.056 67.759 35.513 1.00 0.00 ATOM 525 C GLN A 70 -21.053 67.424 36.121 1.00 0.00 ATOM 526 N ALA A 71 -22.265 67.737 35.685 1.00 0.00 ATOM 527 CA ALA A 71 -22.455 68.791 34.666 1.00 0.00 ATOM 528 CB ALA A 71 -23.799 68.561 33.991 1.00 0.00 ATOM 529 O ALA A 71 -22.486 70.309 36.526 1.00 0.00 ATOM 530 C ALA A 71 -22.455 70.184 35.291 1.00 0.00 ATOM 531 N LYS A 72 -22.274 71.192 34.439 1.00 0.00 ATOM 532 CA LYS A 72 -22.592 72.594 34.735 1.00 0.00 ATOM 533 CB LYS A 72 -21.793 73.348 35.816 1.00 0.00 ATOM 534 CG LYS A 72 -21.749 74.838 35.608 1.00 0.00 ATOM 535 CD LYS A 72 -21.215 75.535 36.823 1.00 0.00 ATOM 536 CE LYS A 72 -21.001 76.996 36.451 1.00 0.00 ATOM 537 NZ LYS A 72 -22.307 77.656 36.304 1.00 0.00 ATOM 538 O LYS A 72 -22.661 73.184 32.437 1.00 0.00 ATOM 539 C LYS A 72 -23.151 73.394 33.541 1.00 0.00 ATOM 540 N PRO A 73 -24.225 74.189 33.755 1.00 0.00 ATOM 541 CA PRO A 73 -24.896 74.465 35.038 1.00 0.00 ATOM 542 CB PRO A 73 -26.214 75.142 34.683 1.00 0.00 ATOM 543 CG PRO A 73 -26.497 74.608 33.291 1.00 0.00 ATOM 544 CD PRO A 73 -25.105 74.647 32.665 1.00 0.00 ATOM 545 O PRO A 73 -25.218 72.107 35.241 1.00 0.00 ATOM 546 C PRO A 73 -25.155 73.175 35.814 1.00 0.00 ATOM 547 N ILE A 74 -24.901 73.184 37.099 1.00 0.00 ATOM 548 CA ILE A 74 -24.931 71.921 37.873 1.00 0.00 ATOM 549 CB ILE A 74 -24.873 72.186 39.388 1.00 0.00 ATOM 550 CG1 ILE A 74 -23.483 72.678 39.793 1.00 0.00 ATOM 551 CG2 ILE A 74 -25.242 70.928 40.162 1.00 0.00 ATOM 552 CD1 ILE A 74 -23.390 73.138 41.230 1.00 0.00 ATOM 553 O ILE A 74 -27.297 71.601 37.611 1.00 0.00 ATOM 554 C ILE A 74 -26.181 71.091 37.566 1.00 0.00 ATOM 555 N LEU A 75 -25.926 69.836 37.221 1.00 0.00 ATOM 556 CA LEU A 75 -27.019 68.891 36.911 1.00 0.00 ATOM 557 CB LEU A 75 -26.441 67.524 36.519 1.00 0.00 ATOM 558 CG LEU A 75 -27.390 66.620 35.722 1.00 0.00 ATOM 559 CD1 LEU A 75 -27.666 67.230 34.353 1.00 0.00 ATOM 560 CD2 LEU A 75 -26.774 65.236 35.581 1.00 0.00 ATOM 561 O LEU A 75 -27.476 68.886 39.262 1.00 0.00 ATOM 562 C LEU A 75 -27.952 68.773 38.123 1.00 0.00 ATOM 563 N PRO A 76 -29.236 68.519 37.874 1.00 0.00 ATOM 564 CA PRO A 76 -30.191 68.239 38.948 1.00 0.00 ATOM 565 CB PRO A 76 -31.482 67.842 38.243 1.00 0.00 ATOM 566 CG PRO A 76 -31.434 68.734 37.014 1.00 0.00 ATOM 567 CD PRO A 76 -29.962 68.683 36.607 1.00 0.00 ATOM 568 O PRO A 76 -29.089 66.145 39.391 1.00 0.00 ATOM 569 C PRO A 76 -29.706 67.121 39.838 1.00 0.00 ATOM 570 N ARG A 77 -29.749 67.421 41.120 1.00 0.00 ATOM 571 CA ARG A 77 -29.216 66.517 42.121 1.00 0.00 ATOM 572 CB ARG A 77 -28.466 67.475 43.032 1.00 0.00 ATOM 573 CG ARG A 77 -27.074 67.800 42.480 1.00 0.00 ATOM 574 CD ARG A 77 -26.270 68.473 43.580 1.00 0.00 ATOM 575 NE ARG A 77 -24.961 68.898 43.051 1.00 0.00 ATOM 576 CZ ARG A 77 -24.010 69.514 43.769 1.00 0.00 ATOM 577 NH1 ARG A 77 -24.157 69.764 45.062 1.00 0.00 ATOM 578 NH2 ARG A 77 -22.898 69.916 43.179 1.00 0.00 ATOM 579 O ARG A 77 -30.710 65.775 43.900 1.00 0.00 ATOM 580 C ARG A 77 -30.393 65.725 42.715 1.00 0.00 ATOM 581 N GLU A 78 -30.819 64.790 41.882 1.00 0.00 ATOM 582 CA GLU A 78 -31.982 63.942 42.183 1.00 0.00 ATOM 583 CB GLU A 78 -32.669 63.495 40.890 1.00 0.00 ATOM 584 CG GLU A 78 -33.307 64.625 40.095 1.00 0.00 ATOM 585 CD GLU A 78 -33.911 64.118 38.814 1.00 0.00 ATOM 586 OE1 GLU A 78 -33.807 62.944 38.555 1.00 0.00 ATOM 587 OE2 GLU A 78 -34.573 64.881 38.151 1.00 0.00 ATOM 588 O GLU A 78 -32.028 62.439 44.041 1.00 0.00 ATOM 589 C GLU A 78 -31.465 62.766 43.007 1.00 0.00 ATOM 590 N MET A 79 -30.261 62.312 42.671 1.00 0.00 ATOM 591 CA MET A 79 -29.549 61.277 43.452 1.00 0.00 ATOM 592 CB MET A 79 -28.372 60.726 42.649 1.00 0.00 ATOM 593 CG MET A 79 -28.758 60.104 41.313 1.00 0.00 ATOM 594 SD MET A 79 -30.125 58.937 41.458 1.00 0.00 ATOM 595 CE MET A 79 -29.356 57.632 42.413 1.00 0.00 ATOM 596 O MET A 79 -28.838 61.031 45.731 1.00 0.00 ATOM 597 C MET A 79 -29.049 61.794 44.794 1.00 0.00 ATOM 598 N VAL A 80 -28.903 63.099 44.890 1.00 0.00 ATOM 599 CA VAL A 80 -28.388 63.715 46.105 1.00 0.00 ATOM 600 CB VAL A 80 -28.259 65.202 45.871 1.00 0.00 ATOM 601 CG1 VAL A 80 -27.710 65.828 47.111 1.00 0.00 ATOM 602 CG2 VAL A 80 -27.043 65.354 44.970 1.00 0.00 ATOM 603 O VAL A 80 -28.265 62.830 48.265 1.00 0.00 ATOM 604 C VAL A 80 -29.039 63.290 47.436 1.00 0.00 ATOM 605 N PRO A 81 -30.361 63.354 47.627 1.00 0.00 ATOM 606 CA PRO A 81 -30.993 62.914 48.883 1.00 0.00 ATOM 607 CB PRO A 81 -32.487 63.131 48.688 1.00 0.00 ATOM 608 CG PRO A 81 -32.510 64.352 47.772 1.00 0.00 ATOM 609 CD PRO A 81 -31.361 64.065 46.808 1.00 0.00 ATOM 610 O PRO A 81 -30.165 61.205 50.342 1.00 0.00 ATOM 611 C PRO A 81 -30.722 61.469 49.274 1.00 0.00 ATOM 612 N SER A 82 -30.883 60.587 48.294 1.00 0.00 ATOM 613 CA SER A 82 -30.643 59.131 48.483 1.00 0.00 ATOM 614 CB SER A 82 -31.098 58.363 47.257 1.00 0.00 ATOM 615 OG SER A 82 -32.486 58.434 47.077 1.00 0.00 ATOM 616 O SER A 82 -28.838 58.087 49.684 1.00 0.00 ATOM 617 C SER A 82 -29.163 58.839 48.775 1.00 0.00 ATOM 618 N LEU A 83 -28.290 59.538 48.058 1.00 0.00 ATOM 619 CA LEU A 83 -26.835 59.373 48.222 1.00 0.00 ATOM 620 CB LEU A 83 -26.087 60.110 47.105 1.00 0.00 ATOM 621 CG LEU A 83 -25.879 59.304 45.816 1.00 0.00 ATOM 622 CD1 LEU A 83 -26.855 58.136 45.768 1.00 0.00 ATOM 623 CD2 LEU A 83 -26.068 60.214 44.611 1.00 0.00 ATOM 624 O LEU A 83 -25.680 59.207 50.354 1.00 0.00 ATOM 625 C LEU A 83 -26.378 59.878 49.600 1.00 0.00 ATOM 626 N VAL A 84 -26.884 61.045 49.948 1.00 0.00 ATOM 627 CA VAL A 84 -26.575 61.706 51.213 1.00 0.00 ATOM 628 CB VAL A 84 -27.098 63.110 50.944 1.00 0.00 ATOM 629 CG1 VAL A 84 -27.265 63.901 52.188 1.00 0.00 ATOM 630 CG2 VAL A 84 -26.109 63.966 50.155 1.00 0.00 ATOM 631 O VAL A 84 -26.378 60.693 53.386 1.00 0.00 ATOM 632 C VAL A 84 -27.112 60.915 52.421 1.00 0.00 ATOM 633 N ASP A 85 -28.276 60.301 52.257 1.00 0.00 ATOM 634 CA ASP A 85 -28.865 59.465 53.308 1.00 0.00 ATOM 635 CB ASP A 85 -30.279 59.029 52.917 1.00 0.00 ATOM 636 CG ASP A 85 -31.011 58.231 53.988 1.00 0.00 ATOM 637 OD1 ASP A 85 -31.229 58.763 55.052 1.00 0.00 ATOM 638 OD2 ASP A 85 -31.483 57.161 53.685 1.00 0.00 ATOM 639 O ASP A 85 -27.714 58.007 54.790 1.00 0.00 ATOM 640 C ASP A 85 -28.034 58.236 53.622 1.00 0.00 ATOM 641 N GLU A 86 -27.575 57.553 52.582 1.00 0.00 ATOM 642 CA GLU A 86 -26.642 56.429 52.777 1.00 0.00 ATOM 643 CB GLU A 86 -26.451 55.660 51.468 1.00 0.00 ATOM 644 CG GLU A 86 -27.669 54.865 51.022 1.00 0.00 ATOM 645 CD GLU A 86 -28.083 53.864 52.063 1.00 0.00 ATOM 646 OE1 GLU A 86 -27.248 53.102 52.491 1.00 0.00 ATOM 647 OE2 GLU A 86 -29.201 53.933 52.515 1.00 0.00 ATOM 648 O GLU A 86 -24.687 56.208 54.138 1.00 0.00 ATOM 649 C GLU A 86 -25.276 56.875 53.303 1.00 0.00 ATOM 650 N ALA A 87 -24.837 58.045 52.852 1.00 0.00 ATOM 651 CA ALA A 87 -23.568 58.638 53.305 1.00 0.00 ATOM 652 CB ALA A 87 -23.140 59.755 52.374 1.00 0.00 ATOM 653 O ALA A 87 -22.580 59.615 55.273 1.00 0.00 ATOM 654 C ALA A 87 -23.590 59.133 54.758 1.00 0.00 ATOM 655 N GLY A 88 -24.797 59.223 55.300 1.00 0.00 ATOM 656 CA GLY A 88 -25.002 59.562 56.713 1.00 0.00 ATOM 657 O GLY A 88 -25.631 61.375 58.050 1.00 0.00 ATOM 658 C GLY A 88 -25.614 60.934 56.922 1.00 0.00 ATOM 659 N TYR A 89 -26.272 61.507 55.937 1.00 0.00 ATOM 660 CA TYR A 89 -26.968 62.761 56.202 1.00 0.00 ATOM 661 CB TYR A 89 -26.631 63.798 55.128 1.00 0.00 ATOM 662 CG TYR A 89 -25.186 64.248 55.142 1.00 0.00 ATOM 663 CD1 TYR A 89 -24.194 63.475 54.558 1.00 0.00 ATOM 664 CD2 TYR A 89 -24.821 65.445 55.739 1.00 0.00 ATOM 665 CE1 TYR A 89 -22.873 63.881 54.567 1.00 0.00 ATOM 666 CE2 TYR A 89 -23.504 65.862 55.754 1.00 0.00 ATOM 667 CZ TYR A 89 -22.532 65.076 55.167 1.00 0.00 ATOM 668 OH TYR A 89 -21.219 65.488 55.180 1.00 0.00 ATOM 669 O TYR A 89 -29.046 61.748 55.578 1.00 0.00 ATOM 670 C TYR A 89 -28.473 62.583 56.275 1.00 0.00 ATOM 671 N PHE A 90 -29.062 63.332 57.201 1.00 0.00 ATOM 672 CA PHE A 90 -30.509 63.268 57.417 1.00 0.00 ATOM 673 CB PHE A 90 -30.938 64.294 58.468 1.00 0.00 ATOM 674 CG PHE A 90 -30.444 63.986 59.852 1.00 0.00 ATOM 675 CD1 PHE A 90 -29.413 64.722 60.417 1.00 0.00 ATOM 676 CD2 PHE A 90 -31.007 62.959 60.595 1.00 0.00 ATOM 677 CE1 PHE A 90 -28.956 64.441 61.690 1.00 0.00 ATOM 678 CE2 PHE A 90 -30.554 62.676 61.868 1.00 0.00 ATOM 679 CZ PHE A 90 -29.528 63.418 62.416 1.00 0.00 ATOM 680 O PHE A 90 -30.948 64.505 55.410 1.00 0.00 ATOM 681 C PHE A 90 -31.226 63.506 56.082 1.00 0.00 ATOM 682 N TRP A 91 -32.234 62.680 55.843 1.00 0.00 ATOM 683 CA TRP A 91 -33.009 62.771 54.584 1.00 0.00 ATOM 684 CB TRP A 91 -33.985 61.600 54.474 1.00 0.00 ATOM 685 CG TRP A 91 -35.088 61.642 55.487 1.00 0.00 ATOM 686 CD1 TRP A 91 -35.090 61.052 56.716 1.00 0.00 ATOM 687 CD2 TRP A 91 -36.350 62.309 55.360 1.00 0.00 ATOM 688 CE2 TRP A 91 -37.065 62.083 56.550 1.00 0.00 ATOM 689 CE3 TRP A 91 -36.943 63.080 54.353 1.00 0.00 ATOM 690 NE1 TRP A 91 -36.273 61.309 57.363 1.00 0.00 ATOM 691 CZ2 TRP A 91 -38.337 62.590 56.762 1.00 0.00 ATOM 692 CZ3 TRP A 91 -38.218 63.591 54.567 1.00 0.00 ATOM 693 CH2 TRP A 91 -38.894 63.353 55.737 1.00 0.00 ATOM 694 O TRP A 91 -33.837 64.799 53.561 1.00 0.00 ATOM 695 C TRP A 91 -33.736 64.107 54.558 1.00 0.00 ATOM 696 N HIS A 92 -34.115 64.572 55.745 1.00 0.00 ATOM 697 CA HIS A 92 -34.662 65.922 55.894 1.00 0.00 ATOM 698 CB HIS A 92 -34.933 66.237 57.368 1.00 0.00 ATOM 699 CG HIS A 92 -35.426 67.631 57.605 1.00 0.00 ATOM 700 CD2 HIS A 92 -34.800 68.727 58.096 1.00 0.00 ATOM 701 ND1 HIS A 92 -36.717 68.022 57.324 1.00 0.00 ATOM 702 CE1 HIS A 92 -36.865 69.299 57.632 1.00 0.00 ATOM 703 NE2 HIS A 92 -35.716 69.748 58.102 1.00 0.00 ATOM 704 O HIS A 92 -34.139 67.760 54.446 1.00 0.00 ATOM 705 C HIS A 92 -33.720 66.984 55.301 1.00 0.00 ATOM 706 N GLN A 93 -32.452 67.009 55.696 1.00 0.00 ATOM 707 CA GLN A 93 -31.487 67.965 55.126 1.00 0.00 ATOM 708 CB GLN A 93 -30.117 67.803 55.790 1.00 0.00 ATOM 709 CG GLN A 93 -30.062 68.279 57.231 1.00 0.00 ATOM 710 CD GLN A 93 -28.720 68.001 57.882 1.00 0.00 ATOM 711 OE1 GLN A 93 -27.842 67.374 57.283 1.00 0.00 ATOM 712 NE2 GLN A 93 -28.555 68.464 59.117 1.00 0.00 ATOM 713 O GLN A 93 -31.414 68.827 52.909 1.00 0.00 ATOM 714 C GLN A 93 -31.314 67.824 53.608 1.00 0.00 ATOM 715 N SER A 94 -31.311 66.582 53.138 1.00 0.00 ATOM 716 CA SER A 94 -31.195 66.295 51.696 1.00 0.00 ATOM 717 CB SER A 94 -30.985 64.809 51.475 1.00 0.00 ATOM 718 OG SER A 94 -32.171 64.080 51.639 1.00 0.00 ATOM 719 O SER A 94 -32.395 67.326 49.845 1.00 0.00 ATOM 720 C SER A 94 -32.448 66.786 50.937 1.00 0.00 ATOM 721 N ILE A 95 -33.592 66.725 51.617 1.00 0.00 ATOM 722 CA ILE A 95 -34.874 67.221 51.070 1.00 0.00 ATOM 723 CB ILE A 95 -36.049 66.608 51.839 1.00 0.00 ATOM 724 CG1 ILE A 95 -36.134 65.114 51.535 1.00 0.00 ATOM 725 CG2 ILE A 95 -37.407 67.250 51.557 1.00 0.00 ATOM 726 CD1 ILE A 95 -36.307 64.669 50.085 1.00 0.00 ATOM 727 O ILE A 95 -35.502 69.340 50.132 1.00 0.00 ATOM 728 C ILE A 95 -34.889 68.750 51.028 1.00 0.00 ATOM 729 N PHE A 96 -34.364 69.377 52.070 1.00 0.00 ATOM 730 CA PHE A 96 -34.352 70.843 52.194 1.00 0.00 ATOM 731 CB PHE A 96 -33.512 71.232 53.397 1.00 0.00 ATOM 732 CG PHE A 96 -33.421 72.749 53.567 1.00 0.00 ATOM 733 CD1 PHE A 96 -34.448 73.436 54.202 1.00 0.00 ATOM 734 CD2 PHE A 96 -32.314 73.423 53.068 1.00 0.00 ATOM 735 CE1 PHE A 96 -34.373 74.809 54.342 1.00 0.00 ATOM 736 CE2 PHE A 96 -32.239 74.796 53.207 1.00 0.00 ATOM 737 CZ PHE A 96 -33.266 75.484 53.843 1.00 0.00 ATOM 738 O PHE A 96 -34.452 72.443 50.421 1.00 0.00 ATOM 739 C PHE A 96 -33.793 71.546 50.957 1.00 0.00 ATOM 740 N GLU A 97 -32.670 71.027 50.488 1.00 0.00 ATOM 741 CA GLU A 97 -31.942 71.512 49.306 1.00 0.00 ATOM 742 CB GLU A 97 -30.665 70.696 49.092 1.00 0.00 ATOM 743 CG GLU A 97 -29.612 70.883 50.176 1.00 0.00 ATOM 744 CD GLU A 97 -28.790 72.118 49.933 1.00 0.00 ATOM 745 OE1 GLU A 97 -28.928 72.704 48.887 1.00 0.00 ATOM 746 OE2 GLU A 97 -28.107 72.541 50.837 1.00 0.00 ATOM 747 O GLU A 97 -33.009 72.347 47.279 1.00 0.00 ATOM 748 C GLU A 97 -32.864 71.431 48.084 1.00 0.00 ATOM 749 N GLU A 98 -33.583 70.326 47.993 1.00 0.00 ATOM 750 CA GLU A 98 -34.505 70.063 46.874 1.00 0.00 ATOM 751 CB GLU A 98 -35.050 68.636 46.953 1.00 0.00 ATOM 752 CG GLU A 98 -34.013 67.552 46.700 1.00 0.00 ATOM 753 CD GLU A 98 -33.407 67.685 45.331 1.00 0.00 ATOM 754 OE1 GLU A 98 -34.144 67.728 44.376 1.00 0.00 ATOM 755 OE2 GLU A 98 -32.213 67.860 45.246 1.00 0.00 ATOM 756 O GLU A 98 -36.275 71.305 45.757 1.00 0.00 ATOM 757 C GLU A 98 -35.686 71.043 46.813 1.00 0.00 ATOM 758 N LYS A 99 -35.999 71.626 47.971 1.00 0.00 ATOM 759 CA LYS A 99 -37.117 72.563 48.133 1.00 0.00 ATOM 760 CB LYS A 99 -37.743 72.414 49.521 1.00 0.00 ATOM 761 CG LYS A 99 -38.330 71.037 49.800 1.00 0.00 ATOM 762 CD LYS A 99 -39.481 70.723 48.856 1.00 0.00 ATOM 763 CE LYS A 99 -40.090 69.362 49.156 1.00 0.00 ATOM 764 NZ LYS A 99 -41.203 69.033 48.226 1.00 0.00 ATOM 765 O LYS A 99 -37.636 74.900 48.083 1.00 0.00 ATOM 766 C LYS A 99 -36.764 74.036 47.933 1.00 0.00 ATOM 767 N VAL A 100 -35.540 74.290 47.493 1.00 0.00 ATOM 768 CA VAL A 100 -35.084 75.660 47.189 1.00 0.00 ATOM 769 CB VAL A 100 -33.838 76.076 48.001 1.00 0.00 ATOM 770 CG1 VAL A 100 -34.087 76.026 49.504 1.00 0.00 ATOM 771 CG2 VAL A 100 -32.617 75.203 47.801 1.00 0.00 ATOM 772 O VAL A 100 -34.854 74.745 44.953 1.00 0.00 ATOM 773 C VAL A 100 -34.884 75.747 45.669 1.00 0.00 ATOM 774 N ASN A 101 -34.907 76.972 45.170 1.00 0.00 ATOM 775 CA ASN A 101 -34.604 77.183 43.743 1.00 0.00 ATOM 776 CB ASN A 101 -34.730 78.646 43.359 1.00 0.00 ATOM 777 CG ASN A 101 -36.150 79.142 43.315 1.00 0.00 ATOM 778 ND2 ASN A 101 -36.291 80.438 43.223 1.00 0.00 ATOM 779 OD1 ASN A 101 -37.101 78.354 43.292 1.00 0.00 ATOM 780 O ASN A 101 -32.380 76.505 44.306 1.00 0.00 ATOM 781 C ASN A 101 -33.203 76.652 43.420 1.00 0.00 ATOM 782 N LEU A 102 -32.929 76.375 42.160 1.00 0.00 ATOM 783 CA LEU A 102 -31.655 75.744 41.732 1.00 0.00 ATOM 784 CB LEU A 102 -31.646 75.545 40.212 1.00 0.00 ATOM 785 CG LEU A 102 -32.580 74.446 39.690 1.00 0.00 ATOM 786 CD1 LEU A 102 -32.648 74.496 38.170 1.00 0.00 ATOM 787 CD2 LEU A 102 -32.081 73.089 40.164 1.00 0.00 ATOM 788 O LEU A 102 -29.480 75.862 42.663 1.00 0.00 ATOM 789 C LEU A 102 -30.373 76.493 42.115 1.00 0.00 ATOM 790 N GLU A 103 -30.193 77.712 41.614 1.00 0.00 ATOM 791 CA GLU A 103 -28.965 78.478 41.909 1.00 0.00 ATOM 792 CB GLU A 103 -28.995 79.831 41.196 1.00 0.00 ATOM 793 CG GLU A 103 -28.849 79.750 39.684 1.00 0.00 ATOM 794 CD GLU A 103 -27.552 79.097 39.295 1.00 0.00 ATOM 795 OE1 GLU A 103 -26.525 79.532 39.760 1.00 0.00 ATOM 796 OE2 GLU A 103 -27.593 78.093 38.622 1.00 0.00 ATOM 797 O GLU A 103 -27.726 78.533 43.943 1.00 0.00 ATOM 798 C GLU A 103 -28.834 78.651 43.418 1.00 0.00 ATOM 799 N GLU A 104 -30.000 78.676 44.091 1.00 0.00 ATOM 800 CA GLU A 104 -30.062 78.688 45.567 1.00 0.00 ATOM 801 CB GLU A 104 -31.485 78.984 46.042 1.00 0.00 ATOM 802 CG GLU A 104 -31.950 80.411 45.788 1.00 0.00 ATOM 803 CD GLU A 104 -33.395 80.591 46.161 1.00 0.00 ATOM 804 OE1 GLU A 104 -34.018 79.624 46.530 1.00 0.00 ATOM 805 OE2 GLU A 104 -33.847 81.711 46.186 1.00 0.00 ATOM 806 O GLU A 104 -28.668 77.392 47.005 1.00 0.00 ATOM 807 C GLU A 104 -29.587 77.376 46.189 1.00 0.00 ATOM 808 N VAL A 105 -30.033 76.278 45.585 1.00 0.00 ATOM 809 CA VAL A 105 -29.664 74.910 45.979 1.00 0.00 ATOM 810 CB VAL A 105 -30.260 73.831 45.043 1.00 0.00 ATOM 811 CG1 VAL A 105 -29.854 72.424 45.440 1.00 0.00 ATOM 812 CG2 VAL A 105 -31.767 73.733 44.993 1.00 0.00 ATOM 813 O VAL A 105 -27.450 74.513 46.839 1.00 0.00 ATOM 814 C VAL A 105 -28.143 74.811 45.870 1.00 0.00 ATOM 815 N TYR A 106 -27.660 75.096 44.674 1.00 0.00 ATOM 816 CA TYR A 106 -26.231 74.952 44.351 1.00 0.00 ATOM 817 CB TYR A 106 -25.966 75.375 42.904 1.00 0.00 ATOM 818 CG TYR A 106 -26.718 74.555 41.878 1.00 0.00 ATOM 819 CD1 TYR A 106 -27.308 73.349 42.223 1.00 0.00 ATOM 820 CD2 TYR A 106 -26.837 74.994 40.568 1.00 0.00 ATOM 821 CE1 TYR A 106 -27.996 72.598 41.289 1.00 0.00 ATOM 822 CE2 TYR A 106 -27.523 74.252 39.626 1.00 0.00 ATOM 823 CZ TYR A 106 -28.100 73.053 39.991 1.00 0.00 ATOM 824 OH TYR A 106 -28.786 72.311 39.057 1.00 0.00 ATOM 825 O TYR A 106 -24.392 75.224 45.832 1.00 0.00 ATOM 826 C TYR A 106 -25.350 75.766 45.295 1.00 0.00 ATOM 827 N ASN A 107 -25.787 76.987 45.583 1.00 0.00 ATOM 828 CA ASN A 107 -25.073 77.857 46.533 1.00 0.00 ATOM 829 CB ASN A 107 -25.706 79.233 46.610 1.00 0.00 ATOM 830 CG ASN A 107 -25.453 80.085 45.398 1.00 0.00 ATOM 831 ND2 ASN A 107 -26.226 81.134 45.272 1.00 0.00 ATOM 832 OD1 ASN A 107 -24.521 79.838 44.624 1.00 0.00 ATOM 833 O ASN A 107 -23.918 77.132 48.528 1.00 0.00 ATOM 834 C ASN A 107 -24.995 77.248 47.942 1.00 0.00 ATOM 835 N GLU A 108 -26.138 76.753 48.379 1.00 0.00 ATOM 836 CA GLU A 108 -26.284 76.071 49.678 1.00 0.00 ATOM 837 CB GLU A 108 -27.751 75.728 49.940 1.00 0.00 ATOM 838 CG GLU A 108 -28.637 76.931 50.232 1.00 0.00 ATOM 839 CD GLU A 108 -30.078 76.527 50.380 1.00 0.00 ATOM 840 OE1 GLU A 108 -30.373 75.371 50.192 1.00 0.00 ATOM 841 OE2 GLU A 108 -30.865 77.347 50.790 1.00 0.00 ATOM 842 O GLU A 108 -24.858 74.503 50.824 1.00 0.00 ATOM 843 C GLU A 108 -25.443 74.798 49.774 1.00 0.00 ATOM 844 N TRP A 109 -25.268 74.131 48.632 1.00 0.00 ATOM 845 CA TRP A 109 -24.390 72.946 48.548 1.00 0.00 ATOM 846 CB TRP A 109 -24.670 72.165 47.263 1.00 0.00 ATOM 847 CG TRP A 109 -25.832 71.225 47.376 1.00 0.00 ATOM 848 CD1 TRP A 109 -26.960 71.229 46.611 1.00 0.00 ATOM 849 CD2 TRP A 109 -25.980 70.146 48.306 1.00 0.00 ATOM 850 CE2 TRP A 109 -27.224 69.539 48.046 1.00 0.00 ATOM 851 CE3 TRP A 109 -25.181 69.633 49.335 1.00 0.00 ATOM 852 NE1 TRP A 109 -27.804 70.221 47.006 1.00 0.00 ATOM 853 CZ2 TRP A 109 -27.686 68.453 48.771 1.00 0.00 ATOM 854 CZ3 TRP A 109 -25.645 68.543 50.060 1.00 0.00 ATOM 855 CH2 TRP A 109 -26.862 67.969 49.787 1.00 0.00 ATOM 856 O TRP A 109 -22.111 72.591 49.201 1.00 0.00 ATOM 857 C TRP A 109 -22.909 73.316 48.606 1.00 0.00 ATOM 858 N ASP A 110 -22.589 74.432 47.961 1.00 0.00 ATOM 859 CA ASP A 110 -21.220 74.950 47.867 1.00 0.00 ATOM 860 CB ASP A 110 -21.180 76.205 46.990 1.00 0.00 ATOM 861 CG ASP A 110 -21.357 75.937 45.502 1.00 0.00 ATOM 862 OD1 ASP A 110 -21.279 74.796 45.110 1.00 0.00 ATOM 863 OD2 ASP A 110 -21.720 76.846 44.793 1.00 0.00 ATOM 864 O ASP A 110 -19.523 74.915 49.577 1.00 0.00 ATOM 865 C ASP A 110 -20.657 75.257 49.255 1.00 0.00 ATOM 866 N ALA A 111 -21.554 75.723 50.127 1.00 0.00 ATOM 867 CA ALA A 111 -21.265 76.057 51.531 1.00 0.00 ATOM 868 CB ALA A 111 -22.527 76.633 52.172 1.00 0.00 ATOM 869 O ALA A 111 -19.845 74.925 53.114 1.00 0.00 ATOM 870 C ALA A 111 -20.811 74.851 52.356 1.00 0.00 ATOM 871 N GLN A 112 -21.617 73.799 52.274 1.00 0.00 ATOM 872 CA GLN A 112 -21.266 72.520 52.885 1.00 0.00 ATOM 873 CB GLN A 112 -22.343 71.472 52.591 1.00 0.00 ATOM 874 CG GLN A 112 -23.675 71.742 53.271 1.00 0.00 ATOM 875 CD GLN A 112 -23.567 71.715 54.785 1.00 0.00 ATOM 876 OE1 GLN A 112 -22.946 70.819 55.362 1.00 0.00 ATOM 877 NE2 GLN A 112 -24.175 72.700 55.436 1.00 0.00 ATOM 878 O GLN A 112 -19.136 71.596 53.199 1.00 0.00 ATOM 879 C GLN A 112 -19.905 72.035 52.370 1.00 0.00 ATOM 880 N ILE A 113 -19.605 72.259 51.096 1.00 0.00 ATOM 881 CA ILE A 113 -18.288 71.930 50.502 1.00 0.00 ATOM 882 CB ILE A 113 -18.281 72.153 48.979 1.00 0.00 ATOM 883 CG1 ILE A 113 -19.199 71.141 48.288 1.00 0.00 ATOM 884 CG2 ILE A 113 -16.867 72.054 48.432 1.00 0.00 ATOM 885 CD1 ILE A 113 -19.462 71.450 46.831 1.00 0.00 ATOM 886 O ILE A 113 -16.091 72.288 51.433 1.00 0.00 ATOM 887 C ILE A 113 -17.182 72.784 51.157 1.00 0.00 ATOM 888 N ILE A 114 -17.437 74.061 51.360 1.00 0.00 ATOM 889 CA ILE A 114 -16.484 74.969 52.022 1.00 0.00 ATOM 890 CB ILE A 114 -16.996 76.420 52.025 1.00 0.00 ATOM 891 CG1 ILE A 114 -17.038 76.975 50.598 1.00 0.00 ATOM 892 CG2 ILE A 114 -16.122 77.292 52.913 1.00 0.00 ATOM 893 CD1 ILE A 114 -17.783 78.285 50.472 1.00 0.00 ATOM 894 O ILE A 114 -15.102 74.282 53.862 1.00 0.00 ATOM 895 C ILE A 114 -16.240 74.495 53.461 1.00 0.00 ATOM 896 N SER A 115 -17.315 74.360 54.226 1.00 0.00 ATOM 897 CA SER A 115 -17.220 73.844 55.608 1.00 0.00 ATOM 898 CB SER A 115 -18.583 73.869 56.270 1.00 0.00 ATOM 899 OG SER A 115 -19.483 72.989 55.654 1.00 0.00 ATOM 900 O SER A 115 -15.769 72.144 56.464 1.00 0.00 ATOM 901 C SER A 115 -16.639 72.418 55.658 1.00 0.00 ATOM 902 N PHE A 116 -16.958 71.639 54.632 1.00 0.00 ATOM 903 CA PHE A 116 -16.444 70.282 54.331 1.00 0.00 ATOM 904 CB PHE A 116 -17.091 69.736 53.057 1.00 0.00 ATOM 905 CG PHE A 116 -18.465 69.167 53.270 1.00 0.00 ATOM 906 CD1 PHE A 116 -19.098 69.288 54.499 1.00 0.00 ATOM 907 CD2 PHE A 116 -19.127 68.511 52.244 1.00 0.00 ATOM 908 CE1 PHE A 116 -20.363 68.764 54.696 1.00 0.00 ATOM 909 CE2 PHE A 116 -20.390 67.988 52.438 1.00 0.00 ATOM 910 CZ PHE A 116 -21.009 68.116 53.666 1.00 0.00 ATOM 911 O PHE A 116 -14.199 69.525 54.713 1.00 0.00 ATOM 912 C PHE A 116 -14.930 70.358 54.202 1.00 0.00 ATOM 913 N MET A 117 -14.509 71.292 53.368 1.00 0.00 ATOM 914 CA MET A 117 -13.115 71.569 53.010 1.00 0.00 ATOM 915 CB MET A 117 -13.047 72.706 51.992 1.00 0.00 ATOM 916 CG MET A 117 -13.432 72.304 50.574 1.00 0.00 ATOM 917 SD MET A 117 -12.332 71.055 49.881 1.00 0.00 ATOM 918 CE MET A 117 -13.287 69.567 50.166 1.00 0.00 ATOM 919 O MET A 117 -11.219 71.492 54.460 1.00 0.00 ATOM 920 C MET A 117 -12.364 71.906 54.300 1.00 0.00 ATOM 921 N LYS A 118 -13.061 72.689 55.127 1.00 0.00 ATOM 922 CA LYS A 118 -12.491 73.388 56.264 1.00 0.00 ATOM 923 CB LYS A 118 -13.592 73.823 57.232 1.00 0.00 ATOM 924 CG LYS A 118 -13.092 74.593 58.447 1.00 0.00 ATOM 925 CD LYS A 118 -14.246 75.036 59.336 1.00 0.00 ATOM 926 CE LYS A 118 -13.744 75.748 60.582 1.00 0.00 ATOM 927 NZ LYS A 118 -14.863 76.214 61.445 1.00 0.00 ATOM 928 O LYS A 118 -11.258 71.817 57.851 1.00 0.00 ATOM 929 C LYS A 118 -11.440 72.873 57.243 1.00 0.00 ATOM 930 N SER A 119 -10.649 73.918 57.288 1.00 0.00 ATOM 931 CA SER A 119 -9.185 73.882 57.137 1.00 0.00 ATOM 932 CB SER A 119 -8.782 72.729 56.237 1.00 0.00 ATOM 933 OG SER A 119 -9.250 72.896 54.927 1.00 0.00 ATOM 934 O SER A 119 -7.448 75.506 56.617 1.00 0.00 ATOM 935 C SER A 119 -8.629 75.218 56.573 1.00 0.00 ATOM 936 N GLY A 120 -9.429 76.025 55.890 1.00 0.00 ATOM 937 CA GLY A 120 -8.916 77.290 55.305 1.00 0.00 ATOM 938 O GLY A 120 -8.063 78.090 53.260 1.00 0.00 ATOM 939 C GLY A 120 -8.467 77.109 53.873 1.00 0.00 ATOM 940 N ARG A 121 -8.884 75.981 53.290 1.00 0.00 ATOM 941 CA ARG A 121 -8.541 75.594 51.917 1.00 0.00 ATOM 942 CB ARG A 121 -7.082 75.877 51.588 1.00 0.00 ATOM 943 CG ARG A 121 -6.077 75.053 52.379 1.00 0.00 ATOM 944 CD ARG A 121 -4.658 75.337 52.048 1.00 0.00 ATOM 945 NE ARG A 121 -3.693 74.609 52.857 1.00 0.00 ATOM 946 CZ ARG A 121 -3.257 73.363 52.591 1.00 0.00 ATOM 947 NH1 ARG A 121 -3.720 72.688 51.563 1.00 0.00 ATOM 948 NH2 ARG A 121 -2.365 72.826 53.405 1.00 0.00 ATOM 949 O ARG A 121 -8.605 73.197 52.307 1.00 0.00 ATOM 950 C ARG A 121 -8.874 74.136 51.569 1.00 0.00 ATOM 951 N ARG A 122 -9.076 74.014 50.259 1.00 0.00 ATOM 952 CA ARG A 122 -9.239 72.718 49.604 1.00 0.00 ATOM 953 CB ARG A 122 -10.359 72.732 48.575 1.00 0.00 ATOM 954 CG ARG A 122 -10.116 73.635 47.377 1.00 0.00 ATOM 955 CD ARG A 122 -11.293 73.799 46.486 1.00 0.00 ATOM 956 NE ARG A 122 -11.063 74.662 45.336 1.00 0.00 ATOM 957 CZ ARG A 122 -11.159 76.005 45.357 1.00 0.00 ATOM 958 NH1 ARG A 122 -11.516 76.642 46.450 1.00 0.00 ATOM 959 NH2 ARG A 122 -10.908 76.665 44.240 1.00 0.00 ATOM 960 O ARG A 122 -7.140 72.939 48.412 1.00 0.00 ATOM 961 C ARG A 122 -7.941 72.204 48.978 1.00 0.00 ATOM 962 N PRO A 123 -7.794 70.899 49.077 1.00 0.00 ATOM 963 CA PRO A 123 -6.798 70.147 48.309 1.00 0.00 ATOM 964 CB PRO A 123 -6.707 68.843 49.058 1.00 0.00 ATOM 965 CG PRO A 123 -8.154 68.761 49.504 1.00 0.00 ATOM 966 CD PRO A 123 -8.488 70.088 50.077 1.00 0.00 ATOM 967 O PRO A 123 -6.308 69.448 46.044 1.00 0.00 ATOM 968 C PRO A 123 -7.120 69.933 46.824 1.00 0.00 ATOM 969 N ASP A 124 -8.374 70.177 46.482 1.00 0.00 ATOM 970 CA ASP A 124 -8.871 70.041 45.107 1.00 0.00 ATOM 971 CB ASP A 124 -8.068 70.931 44.156 1.00 0.00 ATOM 972 CG ASP A 124 -8.202 72.424 44.427 1.00 0.00 ATOM 973 OD1 ASP A 124 -9.312 72.891 44.534 1.00 0.00 ATOM 974 OD2 ASP A 124 -7.203 73.054 44.680 1.00 0.00 ATOM 975 O ASP A 124 -8.873 68.344 43.375 1.00 0.00 ATOM 976 C ASP A 124 -8.838 68.595 44.578 1.00 0.00 ATOM 977 N HIS A 125 -8.941 67.670 45.511 1.00 0.00 ATOM 978 CA HIS A 125 -8.958 66.234 45.197 1.00 0.00 ATOM 979 CB HIS A 125 -7.856 65.464 45.921 1.00 0.00 ATOM 980 CG HIS A 125 -6.466 66.036 45.626 1.00 0.00 ATOM 981 CD2 HIS A 125 -5.629 66.609 46.484 1.00 0.00 ATOM 982 ND1 HIS A 125 -5.929 66.060 44.424 1.00 0.00 ATOM 983 CE1 HIS A 125 -4.741 66.649 44.530 1.00 0.00 ATOM 984 NE2 HIS A 125 -4.566 66.999 45.791 1.00 0.00 ATOM 985 O HIS A 125 -10.757 65.518 46.712 1.00 0.00 ATOM 986 C HIS A 125 -10.290 65.609 45.569 1.00 0.00 ATOM 987 N ILE A 126 -10.838 65.033 44.539 1.00 0.00 ATOM 988 CA ILE A 126 -12.102 64.416 44.693 1.00 0.00 ATOM 989 CB ILE A 126 -13.117 64.938 43.658 1.00 0.00 ATOM 990 CG1 ILE A 126 -12.656 64.595 42.239 1.00 0.00 ATOM 991 CG2 ILE A 126 -13.306 66.440 43.811 1.00 0.00 ATOM 992 CD1 ILE A 126 -13.612 65.050 41.160 1.00 0.00 ATOM 993 O ILE A 126 -11.578 62.440 43.447 1.00 0.00 ATOM 994 C ILE A 126 -11.894 62.890 44.549 1.00 0.00 ATOM 995 N ASP A 127 -12.518 62.160 45.472 1.00 0.00 ATOM 996 CA ASP A 127 -12.493 60.709 45.355 1.00 0.00 ATOM 997 CB ASP A 127 -11.904 60.079 46.621 1.00 0.00 ATOM 998 CG ASP A 127 -11.794 58.561 46.574 1.00 0.00 ATOM 999 OD1 ASP A 127 -12.242 57.981 45.613 1.00 0.00 ATOM 1000 OD2 ASP A 127 -11.128 58.008 47.416 1.00 0.00 ATOM 1001 O ASP A 127 -14.807 60.237 45.873 1.00 0.00 ATOM 1002 C ASP A 127 -13.879 60.132 45.092 1.00 0.00 ATOM 1003 N SER A 128 -14.050 59.716 43.850 1.00 0.00 ATOM 1004 CA SER A 128 -15.327 59.140 43.413 1.00 0.00 ATOM 1005 CB SER A 128 -15.224 58.814 41.937 1.00 0.00 ATOM 1006 OG SER A 128 -16.501 58.424 41.449 1.00 0.00 ATOM 1007 O SER A 128 -15.036 56.890 44.183 1.00 0.00 ATOM 1008 C SER A 128 -15.761 57.880 44.177 1.00 0.00 ATOM 1009 N HIS A 129 -17.001 57.878 44.670 1.00 0.00 ATOM 1010 CA HIS A 129 -17.622 56.666 45.253 1.00 0.00 ATOM 1011 CB HIS A 129 -17.411 56.627 46.770 1.00 0.00 ATOM 1012 CG HIS A 129 -16.002 56.323 47.174 1.00 0.00 ATOM 1013 CD2 HIS A 129 -15.010 57.125 47.626 1.00 0.00 ATOM 1014 ND1 HIS A 129 -15.475 55.049 47.134 1.00 0.00 ATOM 1015 CE1 HIS A 129 -14.219 55.082 47.545 1.00 0.00 ATOM 1016 NE2 HIS A 129 -13.913 56.330 47.849 1.00 0.00 ATOM 1017 O HIS A 129 -19.858 57.478 44.744 1.00 0.00 ATOM 1018 C HIS A 129 -19.127 56.512 44.982 1.00 0.00 ATOM 1019 N HIS A 130 -19.548 55.240 44.915 1.00 0.00 ATOM 1020 CA HIS A 130 -20.957 54.872 44.664 1.00 0.00 ATOM 1021 CB HIS A 130 -21.238 53.394 44.824 1.00 0.00 ATOM 1022 CG HIS A 130 -22.541 52.890 44.219 1.00 0.00 ATOM 1023 CD2 HIS A 130 -22.869 52.327 43.055 1.00 0.00 ATOM 1024 ND1 HIS A 130 -23.631 52.934 44.932 1.00 0.00 ATOM 1025 CE1 HIS A 130 -24.653 52.427 44.252 1.00 0.00 ATOM 1026 NE2 HIS A 130 -24.176 52.052 43.079 1.00 0.00 ATOM 1027 O HIS A 130 -21.513 55.423 46.923 1.00 0.00 ATOM 1028 C HIS A 130 -21.826 55.489 45.746 1.00 0.00 ATOM 1029 N ASN A 131 -22.861 56.154 45.252 1.00 0.00 ATOM 1030 CA ASN A 131 -23.833 56.819 46.141 1.00 0.00 ATOM 1031 CB ASN A 131 -24.529 55.821 47.048 1.00 0.00 ATOM 1032 CG ASN A 131 -25.460 54.890 46.322 1.00 0.00 ATOM 1033 ND2 ASN A 131 -25.679 53.741 46.908 1.00 0.00 ATOM 1034 OD1 ASN A 131 -26.032 55.239 45.282 1.00 0.00 ATOM 1035 O ASN A 131 -23.888 58.387 47.973 1.00 0.00 ATOM 1036 C ASN A 131 -23.273 57.934 47.024 1.00 0.00 ATOM 1037 N VAL A 132 -22.106 58.418 46.645 1.00 0.00 ATOM 1038 CA VAL A 132 -21.461 59.507 47.390 1.00 0.00 ATOM 1039 CB VAL A 132 -20.268 58.996 48.222 1.00 0.00 ATOM 1040 CG1 VAL A 132 -19.836 60.113 49.177 1.00 0.00 ATOM 1041 CG2 VAL A 132 -20.621 57.815 49.130 1.00 0.00 ATOM 1042 O VAL A 132 -21.455 61.765 46.595 1.00 0.00 ATOM 1043 C VAL A 132 -21.075 60.616 46.405 1.00 0.00 ATOM 1044 N HIS A 133 -20.686 60.196 45.205 1.00 0.00 ATOM 1045 CA HIS A 133 -20.092 61.094 44.217 1.00 0.00 ATOM 1046 CB HIS A 133 -18.640 60.697 43.931 1.00 0.00 ATOM 1047 CG HIS A 133 -17.963 61.578 42.927 1.00 0.00 ATOM 1048 CD2 HIS A 133 -17.346 62.776 43.062 1.00 0.00 ATOM 1049 ND1 HIS A 133 -17.869 61.247 41.591 1.00 0.00 ATOM 1050 CE1 HIS A 133 -17.224 62.206 40.949 1.00 0.00 ATOM 1051 NE2 HIS A 133 -16.896 63.143 41.818 1.00 0.00 ATOM 1052 O HIS A 133 -20.357 61.789 41.927 1.00 0.00 ATOM 1053 C HIS A 133 -20.848 61.157 42.874 1.00 0.00 ATOM 1054 N GLY A 134 -21.926 60.404 42.729 1.00 0.00 ATOM 1055 CA GLY A 134 -22.683 60.458 41.463 1.00 0.00 ATOM 1056 O GLY A 134 -22.948 59.140 39.434 1.00 0.00 ATOM 1057 C GLY A 134 -22.313 59.359 40.463 1.00 0.00 ATOM 1058 N LYS A 135 -21.204 58.703 40.747 1.00 0.00 ATOM 1059 CA LYS A 135 -20.650 57.770 39.785 1.00 0.00 ATOM 1060 CB LYS A 135 -19.207 58.144 39.446 1.00 0.00 ATOM 1061 CG LYS A 135 -19.019 59.588 38.998 1.00 0.00 ATOM 1062 CD LYS A 135 -19.977 59.946 37.872 1.00 0.00 ATOM 1063 CE LYS A 135 -19.697 61.339 37.326 1.00 0.00 ATOM 1064 NZ LYS A 135 -20.156 62.404 38.258 1.00 0.00 ATOM 1065 O LYS A 135 -20.324 56.038 41.405 1.00 0.00 ATOM 1066 C LYS A 135 -20.687 56.305 40.263 1.00 0.00 ATOM 1067 N ASN A 136 -21.268 55.402 39.468 1.00 0.00 ATOM 1068 CA ASN A 136 -21.371 53.960 39.802 1.00 0.00 ATOM 1069 CB ASN A 136 -22.454 53.278 38.987 1.00 0.00 ATOM 1070 CG ASN A 136 -22.733 51.863 39.417 1.00 0.00 ATOM 1071 ND2 ASN A 136 -23.884 51.372 39.030 1.00 0.00 ATOM 1072 OD1 ASN A 136 -21.887 51.200 40.027 1.00 0.00 ATOM 1073 O ASN A 136 -19.694 52.827 38.517 1.00 0.00 ATOM 1074 C ASN A 136 -20.033 53.245 39.604 1.00 0.00 ATOM 1075 N LYS A 137 -19.280 53.190 40.683 1.00 0.00 ATOM 1076 CA LYS A 137 -17.912 52.636 40.729 1.00 0.00 ATOM 1077 CB LYS A 137 -17.946 51.114 40.584 1.00 0.00 ATOM 1078 CG LYS A 137 -16.592 50.436 40.751 1.00 0.00 ATOM 1079 CD LYS A 137 -16.707 48.926 40.603 1.00 0.00 ATOM 1080 CE LYS A 137 -15.347 48.252 40.727 1.00 0.00 ATOM 1081 NZ LYS A 137 -15.446 46.774 40.589 1.00 0.00 ATOM 1082 O LYS A 137 -16.212 52.570 39.048 1.00 0.00 ATOM 1083 C LYS A 137 -17.032 53.261 39.626 1.00 0.00 ATOM 1084 N LYS A 138 -17.205 54.543 39.284 1.00 0.00 ATOM 1085 CA LYS A 138 -16.309 55.223 38.300 1.00 0.00 ATOM 1086 CB LYS A 138 -16.755 55.014 36.858 1.00 0.00 ATOM 1087 CG LYS A 138 -18.167 55.514 36.562 1.00 0.00 ATOM 1088 CD LYS A 138 -18.486 55.175 35.119 1.00 0.00 ATOM 1089 CE LYS A 138 -19.946 55.466 34.838 1.00 0.00 ATOM 1090 NZ LYS A 138 -20.220 55.262 33.417 1.00 0.00 ATOM 1091 O LYS A 138 -16.874 57.209 39.373 1.00 0.00 ATOM 1092 C LYS A 138 -16.230 56.738 38.492 1.00 0.00 ATOM 1093 N LEU A 139 -15.300 57.484 37.903 1.00 0.00 ATOM 1094 CA LEU A 139 -15.373 58.952 37.686 1.00 0.00 ATOM 1095 CB LEU A 139 -13.962 59.542 37.571 1.00 0.00 ATOM 1096 CG LEU A 139 -13.044 58.849 36.555 1.00 0.00 ATOM 1097 CD1 LEU A 139 -13.511 59.153 35.139 1.00 0.00 ATOM 1098 CD2 LEU A 139 -11.611 59.315 36.763 1.00 0.00 ATOM 1099 O LEU A 139 -16.626 58.149 35.844 1.00 0.00 ATOM 1100 C LEU A 139 -16.233 59.155 36.389 1.00 0.00 ATOM 1101 N LEU A 140 -16.741 60.288 35.894 1.00 0.00 ATOM 1102 CA LEU A 140 -17.158 60.399 34.475 1.00 0.00 ATOM 1103 CB LEU A 140 -18.661 60.690 34.385 1.00 0.00 ATOM 1104 CG LEU A 140 -19.338 60.235 33.085 1.00 0.00 ATOM 1105 CD1 LEU A 140 -19.324 58.714 32.994 1.00 0.00 ATOM 1106 CD2 LEU A 140 -20.763 60.765 33.040 1.00 0.00 ATOM 1107 O LEU A 140 -16.041 62.489 34.437 1.00 0.00 ATOM 1108 C LEU A 140 -16.339 61.483 33.807 1.00 0.00 ATOM 1109 N GLY A 141 -16.231 61.340 32.491 1.00 0.00 ATOM 1110 CA GLY A 141 -15.535 62.329 31.666 1.00 0.00 ATOM 1111 O GLY A 141 -15.623 64.722 31.848 1.00 0.00 ATOM 1112 C GLY A 141 -16.243 63.677 31.661 1.00 0.00 ATOM 1113 N VAL A 142 -17.567 63.639 31.690 1.00 0.00 ATOM 1114 CA VAL A 142 -18.341 64.898 31.697 1.00 0.00 ATOM 1115 CB VAL A 142 -19.849 64.636 31.521 1.00 0.00 ATOM 1116 CG1 VAL A 142 -20.640 65.919 31.724 1.00 0.00 ATOM 1117 CG2 VAL A 142 -20.130 64.048 30.147 1.00 0.00 ATOM 1118 O VAL A 142 -17.796 66.870 32.925 1.00 0.00 ATOM 1119 C VAL A 142 -18.131 65.690 32.982 1.00 0.00 ATOM 1120 N ALA A 143 -18.206 64.984 34.103 1.00 0.00 ATOM 1121 CA ALA A 143 -17.945 65.562 35.417 1.00 0.00 ATOM 1122 CB ALA A 143 -18.116 64.416 36.381 1.00 0.00 ATOM 1123 O ALA A 143 -16.166 67.121 35.963 1.00 0.00 ATOM 1124 C ALA A 143 -16.492 66.020 35.533 1.00 0.00 ATOM 1125 N LEU A 144 -15.633 65.166 35.011 1.00 0.00 ATOM 1126 CA LEU A 144 -14.198 65.465 34.973 1.00 0.00 ATOM 1127 CB LEU A 144 -13.426 64.288 34.360 1.00 0.00 ATOM 1128 CG LEU A 144 -11.908 64.478 34.270 1.00 0.00 ATOM 1129 CD1 LEU A 144 -11.319 64.653 35.664 1.00 0.00 ATOM 1130 CD2 LEU A 144 -11.285 63.281 33.567 1.00 0.00 ATOM 1131 O LEU A 144 -13.264 67.662 34.631 1.00 0.00 ATOM 1132 C LEU A 144 -13.964 66.756 34.179 1.00 0.00 ATOM 1133 N ALA A 145 -14.659 66.862 33.061 1.00 0.00 ATOM 1134 CA ALA A 145 -14.610 68.069 32.219 1.00 0.00 ATOM 1135 CB ALA A 145 -15.218 67.790 30.861 1.00 0.00 ATOM 1136 O ALA A 145 -14.892 70.396 32.583 1.00 0.00 ATOM 1137 C ALA A 145 -15.289 69.278 32.882 1.00 0.00 ATOM 1138 N LEU A 146 -16.198 69.042 33.813 1.00 0.00 ATOM 1139 CA LEU A 146 -16.854 70.115 34.567 1.00 0.00 ATOM 1140 CB LEU A 146 -17.951 69.534 35.469 1.00 0.00 ATOM 1141 CG LEU A 146 -18.692 70.559 36.338 1.00 0.00 ATOM 1142 CD1 LEU A 146 -19.424 69.850 37.469 1.00 0.00 ATOM 1143 CD2 LEU A 146 -17.698 71.570 36.890 1.00 0.00 ATOM 1144 O LEU A 146 -15.741 72.103 35.294 1.00 0.00 ATOM 1145 C LEU A 146 -15.834 70.900 35.398 1.00 0.00 ATOM 1146 N ALA A 147 -14.933 70.203 36.049 1.00 0.00 ATOM 1147 CA ALA A 147 -13.950 70.866 36.914 1.00 0.00 ATOM 1148 CB ALA A 147 -13.332 69.764 37.765 1.00 0.00 ATOM 1149 O ALA A 147 -12.492 72.700 36.337 1.00 0.00 ATOM 1150 C ALA A 147 -12.893 71.576 36.069 1.00 0.00 ATOM 1151 N ARG A 148 -12.569 70.959 34.946 1.00 0.00 ATOM 1152 CA ARG A 148 -11.641 71.571 33.973 1.00 0.00 ATOM 1153 CB ARG A 148 -11.223 70.593 32.883 1.00 0.00 ATOM 1154 CG ARG A 148 -10.292 69.483 33.345 1.00 0.00 ATOM 1155 CD ARG A 148 -9.936 68.503 32.287 1.00 0.00 ATOM 1156 NE ARG A 148 -9.071 67.424 32.733 1.00 0.00 ATOM 1157 CZ ARG A 148 -8.664 66.399 31.958 1.00 0.00 ATOM 1158 NH1 ARG A 148 -9.074 66.287 30.715 1.00 0.00 ATOM 1159 NH2 ARG A 148 -7.865 65.491 32.491 1.00 0.00 ATOM 1160 O ARG A 148 -11.494 73.815 33.147 1.00 0.00 ATOM 1161 C ARG A 148 -12.218 72.856 33.368 1.00 0.00 ATOM 1162 N LYS A 149 -13.491 72.785 32.957 1.00 0.00 ATOM 1163 CA LYS A 149 -14.212 73.916 32.347 1.00 0.00 ATOM 1164 CB LYS A 149 -15.357 73.409 31.469 1.00 0.00 ATOM 1165 CG LYS A 149 -14.910 72.646 30.230 1.00 0.00 ATOM 1166 CD LYS A 149 -16.102 72.175 29.410 1.00 0.00 ATOM 1167 CE LYS A 149 -15.655 71.433 28.159 1.00 0.00 ATOM 1168 NZ LYS A 149 -16.811 70.981 27.337 1.00 0.00 ATOM 1169 O LYS A 149 -15.226 76.005 32.926 1.00 0.00 ATOM 1170 C LYS A 149 -14.794 74.935 33.331 1.00 0.00 ATOM 1171 N TYR A 150 -15.005 74.522 34.565 1.00 0.00 ATOM 1172 CA TYR A 150 -15.745 75.376 35.528 1.00 0.00 ATOM 1173 CB TYR A 150 -17.013 74.677 36.014 1.00 0.00 ATOM 1174 CG TYR A 150 -17.968 74.627 34.839 1.00 0.00 ATOM 1175 CD1 TYR A 150 -18.090 73.498 34.053 1.00 0.00 ATOM 1176 CD2 TYR A 150 -18.690 75.745 34.508 1.00 0.00 ATOM 1177 CE1 TYR A 150 -18.975 73.428 33.004 1.00 0.00 ATOM 1178 CE2 TYR A 150 -19.555 75.714 33.427 1.00 0.00 ATOM 1179 CZ TYR A 150 -19.712 74.552 32.685 1.00 0.00 ATOM 1180 OH TYR A 150 -20.491 74.538 31.573 1.00 0.00 ATOM 1181 O TYR A 150 -14.097 74.727 36.919 1.00 0.00 ATOM 1182 C TYR A 150 -14.873 75.617 36.715 1.00 0.00 ATOM 1183 N GLN A 151 -14.971 76.760 37.362 1.00 0.00 ATOM 1184 CA GLN A 151 -14.309 77.147 38.624 1.00 0.00 ATOM 1185 CB GLN A 151 -14.098 78.663 38.674 1.00 0.00 ATOM 1186 CG GLN A 151 -13.165 79.196 37.600 1.00 0.00 ATOM 1187 CD GLN A 151 -13.019 80.706 37.657 1.00 0.00 ATOM 1188 OE1 GLN A 151 -13.708 81.381 38.425 1.00 0.00 ATOM 1189 NE2 GLN A 151 -12.122 81.244 36.839 1.00 0.00 ATOM 1190 O GLN A 151 -15.606 77.471 40.620 1.00 0.00 ATOM 1191 C GLN A 151 -15.125 76.702 39.843 1.00 0.00 ATOM 1192 N LEU A 152 -15.251 75.393 39.923 1.00 0.00 ATOM 1193 CA LEU A 152 -15.635 74.316 40.838 1.00 0.00 ATOM 1194 CB LEU A 152 -17.041 73.806 40.498 1.00 0.00 ATOM 1195 CG LEU A 152 -18.161 74.845 40.629 1.00 0.00 ATOM 1196 CD1 LEU A 152 -19.457 74.293 40.052 1.00 0.00 ATOM 1197 CD2 LEU A 152 -18.340 75.219 42.094 1.00 0.00 ATOM 1198 O LEU A 152 -14.490 72.527 41.916 1.00 0.00 ATOM 1199 C LEU A 152 -14.590 73.065 40.826 1.00 0.00 ATOM 1200 N PRO A 153 -13.475 72.927 40.019 1.00 0.00 ATOM 1201 CA PRO A 153 -12.194 72.363 39.436 1.00 0.00 ATOM 1202 CB PRO A 153 -11.357 73.601 39.014 1.00 0.00 ATOM 1203 CG PRO A 153 -12.051 74.646 39.826 1.00 0.00 ATOM 1204 CD PRO A 153 -13.217 74.003 39.201 1.00 0.00 ATOM 1205 O PRO A 153 -10.496 72.015 41.090 1.00 0.00 ATOM 1206 C PRO A 153 -11.186 71.527 40.192 1.00 0.00 ATOM 1207 N LEU A 154 -11.147 70.265 39.822 1.00 0.00 ATOM 1208 CA LEU A 154 -10.687 69.214 40.748 1.00 0.00 ATOM 1209 CB LEU A 154 -11.922 68.772 41.552 1.00 0.00 ATOM 1210 CG LEU A 154 -12.511 69.922 42.397 1.00 0.00 ATOM 1211 CD1 LEU A 154 -13.911 69.859 43.007 1.00 0.00 ATOM 1212 CD2 LEU A 154 -11.667 70.034 43.636 1.00 0.00 ATOM 1213 O LEU A 154 -10.540 67.659 38.908 1.00 0.00 ATOM 1214 C LEU A 154 -10.109 68.013 40.009 1.00 0.00 ATOM 1215 N ARG A 155 -9.159 67.375 40.679 1.00 0.00 ATOM 1216 CA ARG A 155 -8.608 66.106 40.198 1.00 0.00 ATOM 1217 CB ARG A 155 -7.113 65.985 40.503 1.00 0.00 ATOM 1218 CG ARG A 155 -6.344 67.064 39.750 1.00 0.00 ATOM 1219 CD ARG A 155 -4.882 66.796 40.001 1.00 0.00 ATOM 1220 NE ARG A 155 -4.103 67.905 39.462 1.00 0.00 ATOM 1221 CZ ARG A 155 -2.788 67.937 39.516 1.00 0.00 ATOM 1222 NH1 ARG A 155 -2.139 68.900 38.933 1.00 0.00 ATOM 1223 NH2 ARG A 155 -2.123 67.065 40.210 1.00 0.00 ATOM 1224 O ARG A 155 -9.550 64.948 42.084 1.00 0.00 ATOM 1225 C ARG A 155 -9.345 64.955 40.874 1.00 0.00 ATOM 1226 N ASN A 156 -9.676 63.956 40.067 1.00 0.00 ATOM 1227 CA ASN A 156 -10.486 62.826 40.517 1.00 0.00 ATOM 1228 CB ASN A 156 -11.580 62.496 39.520 1.00 0.00 ATOM 1229 CG ASN A 156 -12.527 61.426 39.991 1.00 0.00 ATOM 1230 ND2 ASN A 156 -13.795 61.752 39.983 1.00 0.00 ATOM 1231 OD1 ASN A 156 -12.121 60.298 40.288 1.00 0.00 ATOM 1232 O ASN A 156 -9.012 61.044 39.847 1.00 0.00 ATOM 1233 C ASN A 156 -9.601 61.603 40.776 1.00 0.00 ATOM 1234 N ALA A 157 -9.556 61.246 42.046 1.00 0.00 ATOM 1235 CA ALA A 157 -8.620 60.223 42.553 1.00 0.00 ATOM 1236 CB ALA A 157 -7.907 60.748 43.808 1.00 0.00 ATOM 1237 O ALA A 157 -10.102 58.769 43.791 1.00 0.00 ATOM 1238 C ALA A 157 -9.317 58.901 42.856 1.00 0.00 ATOM 1239 N SER A 158 -9.118 57.966 41.938 1.00 0.00 ATOM 1240 CA SER A 158 -9.523 56.566 42.169 1.00 0.00 ATOM 1241 CB SER A 158 -10.073 55.963 40.891 1.00 0.00 ATOM 1242 OG SER A 158 -9.083 55.806 39.913 1.00 0.00 ATOM 1243 O SER A 158 -7.154 56.277 42.565 1.00 0.00 ATOM 1244 C SER A 158 -8.288 55.815 42.687 1.00 0.00 ATOM 1245 N ARG A 159 -8.496 54.555 43.025 1.00 0.00 ATOM 1246 CA ARG A 159 -7.429 53.678 43.539 1.00 0.00 ATOM 1247 CB ARG A 159 -7.981 53.082 44.818 1.00 0.00 ATOM 1248 CG ARG A 159 -9.223 52.235 44.495 1.00 0.00 ATOM 1249 CD ARG A 159 -9.756 51.695 45.802 1.00 0.00 ATOM 1250 NE ARG A 159 -10.953 50.872 45.694 1.00 0.00 ATOM 1251 CZ ARG A 159 -12.202 51.284 45.462 1.00 0.00 ATOM 1252 NH1 ARG A 159 -13.149 50.378 45.353 1.00 0.00 ATOM 1253 NH2 ARG A 159 -12.529 52.564 45.340 1.00 0.00 ATOM 1254 O ARG A 159 -7.790 52.308 41.590 1.00 0.00 ATOM 1255 C ARG A 159 -7.048 52.568 42.544 1.00 0.00 ATOM 1256 N SER A 160 -6.008 51.818 42.895 1.00 0.00 ATOM 1257 CA SER A 160 -5.633 50.585 42.163 1.00 0.00 ATOM 1258 CB SER A 160 -4.274 50.758 41.512 1.00 0.00 ATOM 1259 OG SER A 160 -4.282 51.765 40.538 1.00 0.00 ATOM 1260 O SER A 160 -5.679 48.203 42.513 1.00 0.00 ATOM 1261 C SER A 160 -5.606 49.328 43.032 1.00 0.00 ATOM 1262 N ILE A 161 -5.554 49.523 44.344 1.00 0.00 ATOM 1263 CA ILE A 161 -5.604 48.393 45.304 1.00 0.00 ATOM 1264 CB ILE A 161 -5.498 48.885 46.761 1.00 0.00 ATOM 1265 CG1 ILE A 161 -5.090 47.758 47.712 1.00 0.00 ATOM 1266 CG2 ILE A 161 -6.853 49.344 47.301 1.00 0.00 ATOM 1267 CD1 ILE A 161 -3.626 47.384 47.533 1.00 0.00 ATOM 1268 O ILE A 161 -6.948 46.412 45.525 1.00 0.00 ATOM 1269 C ILE A 161 -6.886 47.555 45.123 1.00 0.00 ATOM 1270 N GLU A 162 -7.923 48.209 44.594 1.00 0.00 ATOM 1271 CA GLU A 162 -9.239 47.567 44.412 1.00 0.00 ATOM 1272 CB GLU A 162 -10.262 48.580 43.892 1.00 0.00 ATOM 1273 CG GLU A 162 -11.705 48.100 43.945 1.00 0.00 ATOM 1274 CD GLU A 162 -11.956 47.012 42.938 1.00 0.00 ATOM 1275 OE1 GLU A 162 -11.582 47.181 41.802 1.00 0.00 ATOM 1276 OE2 GLU A 162 -12.418 45.966 43.327 1.00 0.00 ATOM 1277 O GLU A 162 -9.622 45.295 43.788 1.00 0.00 ATOM 1278 C GLU A 162 -9.145 46.376 43.458 1.00 0.00 ATOM 1279 N THR A 163 -8.607 46.600 42.268 1.00 0.00 ATOM 1280 CA THR A 163 -8.513 45.545 41.233 1.00 0.00 ATOM 1281 CB THR A 163 -7.736 45.989 39.980 1.00 0.00 ATOM 1282 CG2 THR A 163 -7.547 44.879 38.930 1.00 0.00 ATOM 1283 OG1 THR A 163 -8.455 47.060 39.389 1.00 0.00 ATOM 1284 O THR A 163 -8.242 43.195 41.689 1.00 0.00 ATOM 1285 C THR A 163 -7.798 44.332 41.810 1.00 0.00 ATOM 1286 N LYS A 164 -6.681 44.647 42.444 1.00 0.00 ATOM 1287 CA LYS A 164 -5.863 43.593 43.019 1.00 0.00 ATOM 1288 CB LYS A 164 -4.544 44.164 43.542 1.00 0.00 ATOM 1289 CG LYS A 164 -3.731 44.925 42.502 1.00 0.00 ATOM 1290 CD LYS A 164 -3.213 43.993 41.417 1.00 0.00 ATOM 1291 CE LYS A 164 -2.298 44.726 40.448 1.00 0.00 ATOM 1292 NZ LYS A 164 -1.844 43.847 39.336 1.00 0.00 ATOM 1293 O LYS A 164 -6.113 41.706 44.442 1.00 0.00 ATOM 1294 C LYS A 164 -6.546 42.821 44.158 1.00 0.00 ATOM 1295 N ASP A 165 -7.604 43.385 44.710 1.00 0.00 ATOM 1296 CA ASP A 165 -8.375 42.741 45.795 1.00 0.00 ATOM 1297 CB ASP A 165 -8.898 43.794 46.777 1.00 0.00 ATOM 1298 CG ASP A 165 -7.809 44.582 47.492 1.00 0.00 ATOM 1299 OD1 ASP A 165 -6.681 44.147 47.480 1.00 0.00 ATOM 1300 OD2 ASP A 165 -8.078 45.686 47.906 1.00 0.00 ATOM 1301 O ASP A 165 -10.278 41.299 46.138 1.00 0.00 ATOM 1302 C ASP A 165 -9.563 41.896 45.329 1.00 0.00 ATOM 1303 N TYR A 166 -9.806 41.889 44.021 1.00 0.00 ATOM 1304 CA TYR A 166 -10.883 41.072 43.441 1.00 0.00 ATOM 1305 CB TYR A 166 -11.075 41.406 41.956 1.00 0.00 ATOM 1306 CG TYR A 166 -12.240 40.627 41.337 1.00 0.00 ATOM 1307 CD1 TYR A 166 -13.540 41.049 41.536 1.00 0.00 ATOM 1308 CD2 TYR A 166 -12.025 39.514 40.546 1.00 0.00 ATOM 1309 CE1 TYR A 166 -14.610 40.365 40.982 1.00 0.00 ATOM 1310 CE2 TYR A 166 -13.080 38.815 39.983 1.00 0.00 ATOM 1311 CZ TYR A 166 -14.377 39.242 40.204 1.00 0.00 ATOM 1312 OH TYR A 166 -15.421 38.613 39.634 1.00 0.00 ATOM 1313 O TYR A 166 -9.579 39.036 43.241 1.00 0.00 ATOM 1314 C TYR A 166 -10.605 39.577 43.669 1.00 0.00 ATOM 1315 N LEU A 167 -11.537 38.904 44.325 1.00 0.00 ATOM 1316 CA LEU A 167 -11.377 37.475 44.622 1.00 0.00 ATOM 1317 CB LEU A 167 -11.163 37.267 46.127 1.00 0.00 ATOM 1318 CG LEU A 167 -9.905 37.933 46.705 1.00 0.00 ATOM 1319 CD1 LEU A 167 -9.894 37.794 48.222 1.00 0.00 ATOM 1320 CD2 LEU A 167 -8.667 37.294 46.095 1.00 0.00 ATOM 1321 O LEU A 167 -13.710 37.138 44.325 1.00 0.00 ATOM 1322 C LEU A 167 -12.597 36.682 44.135 1.00 0.00 ATOM 1323 N GLU A 168 -12.356 35.461 43.681 1.00 0.00 ATOM 1324 CA GLU A 168 -13.456 34.504 43.367 1.00 0.00 ATOM 1325 CB GLU A 168 -12.919 33.311 42.574 1.00 0.00 ATOM 1326 CG GLU A 168 -12.491 33.642 41.151 1.00 0.00 ATOM 1327 CD GLU A 168 -11.859 32.455 40.480 1.00 0.00 ATOM 1328 OE1 GLU A 168 -11.700 31.447 41.125 1.00 0.00 ATOM 1329 OE2 GLU A 168 -11.638 32.517 39.294 1.00 0.00 ATOM 1330 O GLU A 168 -15.383 34.038 44.704 1.00 0.00 ATOM 1331 C GLU A 168 -14.163 34.006 44.625 1.00 0.00 ATOM 1332 N LEU A 169 -13.380 33.683 45.643 1.00 0.00 ATOM 1333 CA LEU A 169 -13.911 33.149 46.897 1.00 0.00 ATOM 1334 CB LEU A 169 -12.765 32.659 47.791 1.00 0.00 ATOM 1335 CG LEU A 169 -13.196 32.070 49.141 1.00 0.00 ATOM 1336 CD1 LEU A 169 -14.084 30.854 48.919 1.00 0.00 ATOM 1337 CD2 LEU A 169 -11.962 31.696 49.949 1.00 0.00 ATOM 1338 O LEU A 169 -15.860 33.937 48.085 1.00 0.00 ATOM 1339 C LEU A 169 -14.748 34.198 47.629 1.00 0.00 ATOM 1340 N TYR A 170 -14.180 35.402 47.669 1.00 0.00 ATOM 1341 CA TYR A 170 -14.885 36.566 48.231 1.00 0.00 ATOM 1342 CB TYR A 170 -14.006 37.809 48.104 1.00 0.00 ATOM 1343 CG TYR A 170 -14.733 39.104 48.450 1.00 0.00 ATOM 1344 CD1 TYR A 170 -15.278 39.318 49.710 1.00 0.00 ATOM 1345 CD2 TYR A 170 -14.876 40.075 47.471 1.00 0.00 ATOM 1346 CE1 TYR A 170 -15.921 40.514 49.993 1.00 0.00 ATOM 1347 CE2 TYR A 170 -15.527 41.262 47.748 1.00 0.00 ATOM 1348 CZ TYR A 170 -16.064 41.486 49.013 1.00 0.00 ATOM 1349 OH TYR A 170 -16.800 42.593 49.291 1.00 0.00 ATOM 1350 O TYR A 170 -17.268 36.808 48.207 1.00 0.00 ATOM 1351 C TYR A 170 -16.229 36.755 47.534 1.00 0.00 ATOM 1352 N GLN A 171 -16.213 36.659 46.206 1.00 0.00 ATOM 1353 CA GLN A 171 -17.429 36.743 45.387 1.00 0.00 ATOM 1354 CB GLN A 171 -17.067 36.866 43.904 1.00 0.00 ATOM 1355 CG GLN A 171 -18.265 37.011 42.982 1.00 0.00 ATOM 1356 CD GLN A 171 -17.865 37.114 41.523 1.00 0.00 ATOM 1357 OE1 GLN A 171 -17.491 36.118 40.896 1.00 0.00 ATOM 1358 NE2 GLN A 171 -17.935 38.322 40.974 1.00 0.00 ATOM 1359 O GLN A 171 -19.577 35.669 45.372 1.00 0.00 ATOM 1360 C GLN A 171 -18.377 35.557 45.546 1.00 0.00 ATOM 1361 N ASP A 172 -17.829 34.366 45.728 1.00 0.00 ATOM 1362 CA ASP A 172 -18.683 33.183 45.891 1.00 0.00 ATOM 1363 CB ASP A 172 -17.868 31.902 45.698 1.00 0.00 ATOM 1364 CG ASP A 172 -17.466 31.624 44.256 1.00 0.00 ATOM 1365 OD1 ASP A 172 -18.002 32.257 43.377 1.00 0.00 ATOM 1366 OD2 ASP A 172 -16.520 30.901 44.053 1.00 0.00 ATOM 1367 O ASP A 172 -20.536 32.907 47.461 1.00 0.00 ATOM 1368 C ASP A 172 -19.361 33.167 47.260 1.00 0.00 ATOM 1369 N VAL A 173 -18.625 33.523 48.280 1.00 0.00 ATOM 1370 CA VAL A 173 -19.224 33.585 49.642 1.00 0.00 ATOM 1371 CB VAL A 173 -18.145 33.755 50.727 1.00 0.00 ATOM 1372 CG1 VAL A 173 -18.788 33.997 52.085 1.00 0.00 ATOM 1373 CG2 VAL A 173 -17.243 32.530 50.778 1.00 0.00 ATOM 1374 O VAL A 173 -21.085 34.707 50.690 1.00 0.00 ATOM 1375 C VAL A 173 -20.238 34.723 49.798 1.00 0.00 ATOM 1376 N ARG A 174 -19.999 35.774 49.023 1.00 0.00 ATOM 1377 CA ARG A 174 -20.829 36.986 49.016 1.00 0.00 ATOM 1378 CB ARG A 174 -20.106 38.181 49.623 1.00 0.00 ATOM 1379 CG ARG A 174 -19.811 38.061 51.110 1.00 0.00 ATOM 1380 CD ARG A 174 -19.077 39.217 51.682 1.00 0.00 ATOM 1381 NE ARG A 174 -18.858 39.140 53.119 1.00 0.00 ATOM 1382 CZ ARG A 174 -17.790 38.561 53.700 1.00 0.00 ATOM 1383 NH1 ARG A 174 -16.860 37.974 52.978 1.00 0.00 ATOM 1384 NH2 ARG A 174 -17.712 38.576 55.018 1.00 0.00 ATOM 1385 O ARG A 174 -20.428 37.449 46.742 1.00 0.00 ATOM 1386 C ARG A 174 -21.291 37.221 47.587 1.00 0.00 ATOM 1387 N THR A 175 -22.568 37.477 47.348 1.00 0.00 ATOM 1388 CA THR A 175 -22.987 37.688 45.941 1.00 0.00 ATOM 1389 CB THR A 175 -24.511 37.546 45.778 1.00 0.00 ATOM 1390 CG2 THR A 175 -24.967 36.161 46.210 1.00 0.00 ATOM 1391 OG1 THR A 175 -25.174 38.534 46.578 1.00 0.00 ATOM 1392 O THR A 175 -22.450 40.010 46.226 1.00 0.00 ATOM 1393 C THR A 175 -22.556 39.075 45.427 1.00 0.00 ATOM 1394 N PRO A 176 -22.335 39.262 44.116 1.00 0.00 ATOM 1395 CA PRO A 176 -21.861 40.556 43.570 1.00 0.00 ATOM 1396 CB PRO A 176 -21.813 40.355 42.055 1.00 0.00 ATOM 1397 CG PRO A 176 -21.550 38.863 41.915 1.00 0.00 ATOM 1398 CD PRO A 176 -22.408 38.258 43.037 1.00 0.00 ATOM 1399 O PRO A 176 -22.286 42.763 44.366 1.00 0.00 ATOM 1400 C PRO A 176 -22.777 41.740 43.911 1.00 0.00 ATOM 1401 N ASP A 177 -24.092 41.517 43.822 1.00 0.00 ATOM 1402 CA ASP A 177 -25.092 42.563 44.106 1.00 0.00 ATOM 1403 CB ASP A 177 -26.508 42.032 43.866 1.00 0.00 ATOM 1404 CG ASP A 177 -26.871 41.854 42.398 1.00 0.00 ATOM 1405 OD1 ASP A 177 -26.145 42.341 41.563 1.00 0.00 ATOM 1406 OD2 ASP A 177 -27.778 41.106 42.118 1.00 0.00 ATOM 1407 O ASP A 177 -25.162 44.327 45.733 1.00 0.00 ATOM 1408 C ASP A 177 -25.019 43.125 45.529 1.00 0.00 ATOM 1409 N GLU A 178 -24.644 42.269 46.479 1.00 0.00 ATOM 1410 CA GLU A 178 -24.523 42.700 47.883 1.00 0.00 ATOM 1411 CB GLU A 178 -24.174 41.510 48.780 1.00 0.00 ATOM 1412 CG GLU A 178 -25.305 40.508 48.963 1.00 0.00 ATOM 1413 CD GLU A 178 -24.856 39.316 49.760 1.00 0.00 ATOM 1414 OE1 GLU A 178 -23.695 39.248 50.089 1.00 0.00 ATOM 1415 OE2 GLU A 178 -25.691 38.529 50.139 1.00 0.00 ATOM 1416 O GLU A 178 -23.634 44.802 48.702 1.00 0.00 ATOM 1417 C GLU A 178 -23.454 43.810 48.010 1.00 0.00 ATOM 1418 N MET A 179 -22.388 43.693 47.212 1.00 0.00 ATOM 1419 CA MET A 179 -21.287 44.685 47.179 1.00 0.00 ATOM 1420 CB MET A 179 -20.008 43.923 46.816 1.00 0.00 ATOM 1421 CG MET A 179 -18.715 44.740 46.788 1.00 0.00 ATOM 1422 SD MET A 179 -17.179 43.825 46.404 1.00 0.00 ATOM 1423 CE MET A 179 -17.573 43.112 44.831 1.00 0.00 ATOM 1424 O MET A 179 -20.926 46.949 46.427 1.00 0.00 ATOM 1425 C MET A 179 -21.616 45.950 46.351 1.00 0.00 ATOM 1426 N LEU A 180 -22.783 46.035 45.748 1.00 0.00 ATOM 1427 CA LEU A 180 -23.190 47.268 45.048 1.00 0.00 ATOM 1428 CB LEU A 180 -24.568 47.080 44.400 1.00 0.00 ATOM 1429 CG LEU A 180 -24.601 46.120 43.203 1.00 0.00 ATOM 1430 CD1 LEU A 180 -26.040 45.874 42.770 1.00 0.00 ATOM 1431 CD2 LEU A 180 -23.786 46.704 42.059 1.00 0.00 ATOM 1432 O LEU A 180 -22.651 49.555 45.538 1.00 0.00 ATOM 1433 C LEU A 180 -23.243 48.543 45.920 1.00 0.00 ATOM 1434 N TYR A 181 -23.812 48.438 47.129 1.00 0.00 ATOM 1435 CA TYR A 181 -23.872 49.543 48.107 1.00 0.00 ATOM 1436 CB TYR A 181 -24.582 49.090 49.385 1.00 0.00 ATOM 1437 CG TYR A 181 -26.081 48.957 49.239 1.00 0.00 ATOM 1438 CD1 TYR A 181 -26.679 47.710 49.121 1.00 0.00 ATOM 1439 CD2 TYR A 181 -26.896 50.078 49.220 1.00 0.00 ATOM 1440 CE1 TYR A 181 -28.047 47.583 48.987 1.00 0.00 ATOM 1441 CE2 TYR A 181 -28.266 49.964 49.087 1.00 0.00 ATOM 1442 CZ TYR A 181 -28.839 48.714 48.971 1.00 0.00 ATOM 1443 OH TYR A 181 -30.203 48.593 48.839 1.00 0.00 ATOM 1444 O TYR A 181 -22.215 51.275 48.582 1.00 0.00 ATOM 1445 C TYR A 181 -22.469 50.078 48.453 1.00 0.00 ATOM 1446 N GLN A 182 -21.561 49.126 48.642 1.00 0.00 ATOM 1447 CA GLN A 182 -20.160 49.447 48.944 1.00 0.00 ATOM 1448 CB GLN A 182 -19.822 49.065 50.388 1.00 0.00 ATOM 1449 CG GLN A 182 -20.537 49.899 51.436 1.00 0.00 ATOM 1450 CD GLN A 182 -21.896 49.331 51.799 1.00 0.00 ATOM 1451 OE1 GLN A 182 -22.066 48.115 51.913 1.00 0.00 ATOM 1452 NE2 GLN A 182 -22.875 50.211 51.979 1.00 0.00 ATOM 1453 O GLN A 182 -19.183 47.514 47.967 1.00 0.00 ATOM 1454 C GLN A 182 -19.212 48.736 47.992 1.00 0.00 ATOM 1455 N PHE A 183 -18.146 49.453 47.684 1.00 0.00 ATOM 1456 CA PHE A 183 -17.094 48.811 46.894 1.00 0.00 ATOM 1457 CB PHE A 183 -16.841 49.594 45.604 1.00 0.00 ATOM 1458 CG PHE A 183 -17.965 49.505 44.611 1.00 0.00 ATOM 1459 CD1 PHE A 183 -18.776 50.602 44.361 1.00 0.00 ATOM 1460 CD2 PHE A 183 -18.214 48.326 43.927 1.00 0.00 ATOM 1461 CE1 PHE A 183 -19.811 50.522 43.449 1.00 0.00 ATOM 1462 CE2 PHE A 183 -19.247 48.242 43.014 1.00 0.00 ATOM 1463 CZ PHE A 183 -20.046 49.342 42.774 1.00 0.00 ATOM 1464 O PHE A 183 -14.897 49.506 47.560 1.00 0.00 ATOM 1465 C PHE A 183 -15.761 48.634 47.586 1.00 0.00 ATOM 1466 N TYR A 184 -15.710 47.490 48.242 1.00 0.00 ATOM 1467 CA TYR A 184 -14.483 47.076 48.921 1.00 0.00 ATOM 1468 CB TYR A 184 -14.319 47.895 50.160 1.00 0.00 ATOM 1469 CG TYR A 184 -15.364 47.835 51.272 1.00 0.00 ATOM 1470 CD1 TYR A 184 -15.124 46.959 52.316 1.00 0.00 ATOM 1471 CD2 TYR A 184 -16.503 48.622 51.271 1.00 0.00 ATOM 1472 CE1 TYR A 184 -16.045 46.793 53.334 1.00 0.00 ATOM 1473 CE2 TYR A 184 -17.398 48.457 52.307 1.00 0.00 ATOM 1474 CZ TYR A 184 -17.195 47.551 53.333 1.00 0.00 ATOM 1475 OH TYR A 184 -18.135 47.341 54.296 1.00 0.00 ATOM 1476 O TYR A 184 -15.503 45.022 49.550 1.00 0.00 ATOM 1477 C TYR A 184 -14.450 45.637 49.355 1.00 0.00 ATOM 1478 N ASP A 185 -13.217 45.218 49.625 1.00 0.00 ATOM 1479 CA ASP A 185 -12.955 43.894 50.171 1.00 0.00 ATOM 1480 CB ASP A 185 -11.475 43.536 50.021 1.00 0.00 ATOM 1481 CG ASP A 185 -11.174 42.047 50.131 1.00 0.00 ATOM 1482 OD1 ASP A 185 -11.536 41.460 51.122 1.00 0.00 ATOM 1483 OD2 ASP A 185 -10.727 41.478 49.163 1.00 0.00 ATOM 1484 O ASP A 185 -12.727 44.311 52.572 1.00 0.00 ATOM 1485 C ASP A 185 -13.381 43.838 51.644 1.00 0.00 ATOM 1486 N LYS A 186 -14.591 43.295 51.759 1.00 0.00 ATOM 1487 CA LYS A 186 -15.198 43.128 53.058 1.00 0.00 ATOM 1488 CB LYS A 186 -16.574 42.472 52.925 1.00 0.00 ATOM 1489 CG LYS A 186 -17.632 43.352 52.275 1.00 0.00 ATOM 1490 CD LYS A 186 -18.904 42.570 51.991 1.00 0.00 ATOM 1491 CE LYS A 186 -19.948 43.439 51.304 1.00 0.00 ATOM 1492 NZ LYS A 186 -21.200 42.686 51.020 1.00 0.00 ATOM 1493 O LYS A 186 -13.891 43.067 54.779 1.00 0.00 ATOM 1494 C LYS A 186 -14.280 42.321 53.890 1.00 0.00 ATOM 1495 N ALA A 187 -13.882 41.120 53.390 1.00 0.00 ATOM 1496 CA ALA A 187 -13.221 40.014 54.119 1.00 0.00 ATOM 1497 CB ALA A 187 -12.761 38.815 53.305 1.00 0.00 ATOM 1498 O ALA A 187 -11.137 40.299 55.373 1.00 0.00 ATOM 1499 C ALA A 187 -12.331 40.536 55.226 1.00 0.00 ATOM 1500 N ILE A 188 -13.356 40.968 55.973 1.00 0.00 ATOM 1501 CA ILE A 188 -13.753 41.663 57.203 1.00 0.00 ATOM 1502 CB ILE A 188 -15.274 41.578 57.435 1.00 0.00 ATOM 1503 CG1 ILE A 188 -15.782 40.165 57.136 1.00 0.00 ATOM 1504 CG2 ILE A 188 -16.000 42.602 56.575 1.00 0.00 ATOM 1505 CD1 ILE A 188 -15.323 39.129 58.136 1.00 0.00 ATOM 1506 O ILE A 188 -13.530 40.423 59.236 1.00 0.00 ATOM 1507 C ILE A 188 -12.978 41.008 58.313 1.00 0.00 ATOM 1508 N SER A 189 -11.719 40.923 57.934 1.00 0.00 ATOM 1509 CA SER A 189 -10.767 39.963 58.482 1.00 0.00 ATOM 1510 CB SER A 189 -10.937 38.615 57.807 1.00 0.00 ATOM 1511 OG SER A 189 -10.008 37.674 58.270 1.00 0.00 ATOM 1512 O SER A 189 -8.993 40.915 57.142 1.00 0.00 ATOM 1513 C SER A 189 -9.409 40.592 58.254 1.00 0.00 ATOM 1514 N THR A 190 -8.799 40.830 59.400 1.00 0.00 ATOM 1515 CA THR A 190 -7.506 41.530 59.478 1.00 0.00 ATOM 1516 CB THR A 190 -7.064 41.692 60.941 1.00 0.00 ATOM 1517 CG2 THR A 190 -5.716 42.425 61.060 1.00 0.00 ATOM 1518 OG1 THR A 190 -8.047 42.415 61.691 1.00 0.00 ATOM 1519 O THR A 190 -5.717 41.438 57.883 1.00 0.00 ATOM 1520 C THR A 190 -6.418 40.812 58.673 1.00 0.00 ATOM 1521 N GLU A 191 -6.434 39.487 58.772 1.00 0.00 ATOM 1522 CA GLU A 191 -5.478 38.623 58.064 1.00 0.00 ATOM 1523 CB GLU A 191 -5.647 37.166 58.502 1.00 0.00 ATOM 1524 CG GLU A 191 -5.186 36.879 59.924 1.00 0.00 ATOM 1525 CD GLU A 191 -5.498 35.464 60.324 1.00 0.00 ATOM 1526 OE1 GLU A 191 -6.112 34.770 59.551 1.00 0.00 ATOM 1527 OE2 GLU A 191 -5.027 35.042 61.355 1.00 0.00 ATOM 1528 O GLU A 191 -4.621 38.919 55.822 1.00 0.00 ATOM 1529 C GLU A 191 -5.599 38.697 56.537 1.00 0.00 ATOM 1530 N THR A 192 -6.846 38.718 56.093 1.00 0.00 ATOM 1531 CA THR A 192 -7.151 38.821 54.652 1.00 0.00 ATOM 1532 CB THR A 192 -8.647 38.592 54.374 1.00 0.00 ATOM 1533 CG2 THR A 192 -8.946 38.756 52.891 1.00 0.00 ATOM 1534 OG1 THR A 192 -9.015 37.268 54.787 1.00 0.00 ATOM 1535 O THR A 192 -6.133 40.281 53.046 1.00 0.00 ATOM 1536 C THR A 192 -6.734 40.196 54.125 1.00 0.00 ATOM 1537 N ILE A 193 -7.027 41.245 54.897 1.00 0.00 ATOM 1538 CA ILE A 193 -6.663 42.629 54.509 1.00 0.00 ATOM 1539 CB ILE A 193 -7.099 43.649 55.577 1.00 0.00 ATOM 1540 CG1 ILE A 193 -8.626 43.734 55.641 1.00 0.00 ATOM 1541 CG2 ILE A 193 -6.498 45.015 55.285 1.00 0.00 ATOM 1542 CD1 ILE A 193 -9.146 44.500 56.836 1.00 0.00 ATOM 1543 O ILE A 193 -4.696 43.221 53.264 1.00 0.00 ATOM 1544 C ILE A 193 -5.147 42.710 54.289 1.00 0.00 ATOM 1545 N LEU A 194 -4.422 42.209 55.275 1.00 0.00 ATOM 1546 CA LEU A 194 -2.965 42.179 55.181 1.00 0.00 ATOM 1547 CB LEU A 194 -2.366 41.515 56.426 1.00 0.00 ATOM 1548 CG LEU A 194 -0.840 41.363 56.415 1.00 0.00 ATOM 1549 CD1 LEU A 194 -0.408 40.352 57.469 1.00 0.00 ATOM 1550 CD2 LEU A 194 -0.383 40.926 55.030 1.00 0.00 ATOM 1551 O LEU A 194 -1.664 41.994 53.148 1.00 0.00 ATOM 1552 C LEU A 194 -2.459 41.455 53.922 1.00 0.00 ATOM 1553 N GLN A 195 -3.000 40.278 53.704 1.00 0.00 ATOM 1554 CA GLN A 195 -2.600 39.447 52.555 1.00 0.00 ATOM 1555 CB GLN A 195 -3.341 38.108 52.578 1.00 0.00 ATOM 1556 CG GLN A 195 -2.896 37.170 53.687 1.00 0.00 ATOM 1557 CD GLN A 195 -3.726 35.902 53.741 1.00 0.00 ATOM 1558 OE1 GLN A 195 -4.700 35.748 52.997 1.00 0.00 ATOM 1559 NE2 GLN A 195 -3.352 34.986 54.626 1.00 0.00 ATOM 1560 O GLN A 195 -2.021 40.075 50.313 1.00 0.00 ATOM 1561 C GLN A 195 -2.859 40.134 51.211 1.00 0.00 ATOM 1562 N LEU A 196 -3.972 40.848 51.124 1.00 0.00 ATOM 1563 CA LEU A 196 -4.302 41.594 49.901 1.00 0.00 ATOM 1564 CB LEU A 196 -5.629 42.273 50.059 1.00 0.00 ATOM 1565 CG LEU A 196 -6.814 41.362 50.056 1.00 0.00 ATOM 1566 CD1 LEU A 196 -7.852 42.373 50.490 1.00 0.00 ATOM 1567 CD2 LEU A 196 -7.121 40.743 48.681 1.00 0.00 ATOM 1568 O LEU A 196 -2.703 42.768 48.550 1.00 0.00 ATOM 1569 C LEU A 196 -3.317 42.727 49.621 1.00 0.00 ATOM 1570 N LEU A 197 -3.038 43.481 50.681 1.00 0.00 ATOM 1571 CA LEU A 197 -2.034 44.528 50.587 1.00 0.00 ATOM 1572 CB LEU A 197 -1.997 45.344 51.885 1.00 0.00 ATOM 1573 CG LEU A 197 -3.005 46.499 51.959 1.00 0.00 ATOM 1574 CD1 LEU A 197 -4.105 46.298 50.926 1.00 0.00 ATOM 1575 CD2 LEU A 197 -3.589 46.575 53.361 1.00 0.00 ATOM 1576 O LEU A 197 -0.027 44.414 49.348 1.00 0.00 ATOM 1577 C LEU A 197 -0.652 43.944 50.285 1.00 0.00 ATOM 1578 N ASP A 198 -0.344 42.765 50.813 1.00 0.00 ATOM 1579 CA ASP A 198 0.912 42.039 50.526 1.00 0.00 ATOM 1580 CB ASP A 198 1.011 40.776 51.385 1.00 0.00 ATOM 1581 CG ASP A 198 2.319 40.011 51.231 1.00 0.00 ATOM 1582 OD1 ASP A 198 3.348 40.566 51.535 1.00 0.00 ATOM 1583 OD2 ASP A 198 2.268 38.834 50.964 1.00 0.00 ATOM 1584 O ASP A 198 2.146 41.805 48.464 1.00 0.00 ATOM 1585 C ASP A 198 1.070 41.650 49.055 1.00 0.00 ATOM 1586 N MET A 199 -0.025 41.144 48.508 1.00 0.00 ATOM 1587 CA MET A 199 -0.092 40.692 47.104 1.00 0.00 ATOM 1588 CB MET A 199 -1.419 39.984 46.840 1.00 0.00 ATOM 1589 CG MET A 199 -1.563 38.635 47.530 1.00 0.00 ATOM 1590 SD MET A 199 -3.172 37.873 47.241 1.00 0.00 ATOM 1591 CE MET A 199 -3.046 37.464 45.504 1.00 0.00 ATOM 1592 O MET A 199 0.726 41.717 45.079 1.00 0.00 ATOM 1593 C MET A 199 0.084 41.853 46.119 1.00 0.00 ATOM 1594 N VAL A 200 -0.471 43.002 46.481 1.00 0.00 ATOM 1595 CA VAL A 200 -0.296 44.228 45.680 1.00 0.00 ATOM 1596 CB VAL A 200 -1.339 45.275 46.048 1.00 0.00 ATOM 1597 CG1 VAL A 200 -1.262 46.514 45.154 1.00 0.00 ATOM 1598 CG2 VAL A 200 -2.708 44.638 45.956 1.00 0.00 ATOM 1599 O VAL A 200 1.741 45.262 44.975 1.00 0.00 ATOM 1600 C VAL A 200 1.079 44.843 45.921 1.00 0.00 ATOM 1601 N VAL A 201 1.520 44.742 47.169 1.00 0.00 ATOM 1602 CA VAL A 201 2.829 45.287 47.560 1.00 0.00 ATOM 1603 CB VAL A 201 3.071 45.089 49.075 1.00 0.00 ATOM 1604 CG1 VAL A 201 4.504 45.403 49.481 1.00 0.00 ATOM 1605 CG2 VAL A 201 2.259 46.089 49.870 1.00 0.00 ATOM 1606 O VAL A 201 4.868 45.292 46.317 1.00 0.00 ATOM 1607 C VAL A 201 3.930 44.621 46.725 1.00 0.00 ATOM 1608 N CYS A 202 3.798 43.323 46.479 1.00 0.00 ATOM 1609 CA CYS A 202 4.800 42.587 45.692 1.00 0.00 ATOM 1610 CB CYS A 202 4.508 41.083 45.686 1.00 0.00 ATOM 1611 SG CYS A 202 4.723 40.399 47.367 1.00 0.00 ATOM 1612 O CYS A 202 5.976 43.524 43.861 1.00 0.00 ATOM 1613 C CYS A 202 4.896 43.127 44.275 1.00 0.00 ATOM 1614 N SER A 203 3.752 43.394 43.654 1.00 0.00 ATOM 1615 CA SER A 203 3.751 44.008 42.313 1.00 0.00 ATOM 1616 CB SER A 203 2.328 44.173 41.816 1.00 0.00 ATOM 1617 OG SER A 203 1.694 42.941 41.614 1.00 0.00 ATOM 1618 O SER A 203 5.199 45.680 41.360 1.00 0.00 ATOM 1619 C SER A 203 4.466 45.358 42.296 1.00 0.00 ATOM 1620 N GLU A 204 4.279 46.023 43.421 1.00 0.00 ATOM 1621 CA GLU A 204 4.699 47.363 43.720 1.00 0.00 ATOM 1622 CB GLU A 204 5.030 47.502 45.208 1.00 0.00 ATOM 1623 CG GLU A 204 5.327 48.927 45.654 1.00 0.00 ATOM 1624 CD GLU A 204 4.069 49.745 45.742 1.00 0.00 ATOM 1625 OE1 GLU A 204 3.139 49.305 46.378 1.00 0.00 ATOM 1626 OE2 GLU A 204 4.074 50.858 45.273 1.00 0.00 ATOM 1627 O GLU A 204 7.011 48.009 43.392 1.00 0.00 ATOM 1628 C GLU A 204 5.808 48.179 43.161 1.00 0.00 ATOM 1629 N GLY A 205 5.015 49.100 42.660 1.00 0.00 ATOM 1630 CA GLY A 205 5.250 50.548 42.616 1.00 0.00 ATOM 1631 O GLY A 205 3.213 51.014 41.421 1.00 0.00 ATOM 1632 C GLY A 205 3.971 51.346 42.340 1.00 0.00 ATOM 1633 N GLU A 206 3.833 52.441 43.087 1.00 0.00 ATOM 1634 CA GLU A 206 2.870 53.505 42.772 1.00 0.00 ATOM 1635 CB GLU A 206 3.243 54.196 41.459 1.00 0.00 ATOM 1636 CG GLU A 206 2.358 55.380 41.098 1.00 0.00 ATOM 1637 CD GLU A 206 2.868 56.090 39.875 1.00 0.00 ATOM 1638 OE1 GLU A 206 3.814 55.621 39.289 1.00 0.00 ATOM 1639 OE2 GLU A 206 2.244 57.037 39.459 1.00 0.00 ATOM 1640 O GLU A 206 0.743 52.831 41.682 1.00 0.00 ATOM 1641 C GLU A 206 1.439 52.906 42.698 1.00 0.00 ATOM 1642 N VAL A 207 1.013 52.446 43.874 1.00 0.00 ATOM 1643 CA VAL A 207 -0.379 52.024 44.137 1.00 0.00 ATOM 1644 CB VAL A 207 -0.433 50.637 44.803 1.00 0.00 ATOM 1645 CG1 VAL A 207 -1.874 50.180 44.967 1.00 0.00 ATOM 1646 CG2 VAL A 207 0.357 49.623 43.990 1.00 0.00 ATOM 1647 O VAL A 207 -0.397 53.725 45.872 1.00 0.00 ATOM 1648 C VAL A 207 -1.017 53.078 45.019 1.00 0.00 ATOM 1649 N PHE A 208 -2.312 53.181 44.752 1.00 0.00 ATOM 1650 CA PHE A 208 -3.292 53.850 45.609 1.00 0.00 ATOM 1651 CB PHE A 208 -4.154 54.811 44.787 1.00 0.00 ATOM 1652 CG PHE A 208 -3.449 56.082 44.407 1.00 0.00 ATOM 1653 CD1 PHE A 208 -3.002 56.283 43.111 1.00 0.00 ATOM 1654 CD2 PHE A 208 -3.233 57.079 45.346 1.00 0.00 ATOM 1655 CE1 PHE A 208 -2.353 57.452 42.760 1.00 0.00 ATOM 1656 CE2 PHE A 208 -2.587 58.249 45.000 1.00 0.00 ATOM 1657 CZ PHE A 208 -2.146 58.436 43.705 1.00 0.00 ATOM 1658 O PHE A 208 -4.926 52.092 45.639 1.00 0.00 ATOM 1659 C PHE A 208 -4.134 52.785 46.290 1.00 0.00 ATOM 1660 N GLU A 209 -4.000 52.754 47.611 1.00 0.00 ATOM 1661 CA GLU A 209 -4.676 51.736 48.425 1.00 0.00 ATOM 1662 CB GLU A 209 -3.716 51.160 49.468 1.00 0.00 ATOM 1663 CG GLU A 209 -4.309 50.047 50.320 1.00 0.00 ATOM 1664 CD GLU A 209 -4.899 50.590 51.593 1.00 0.00 ATOM 1665 OE1 GLU A 209 -4.694 51.745 51.874 1.00 0.00 ATOM 1666 OE2 GLU A 209 -5.644 49.882 52.227 1.00 0.00 ATOM 1667 O GLU A 209 -5.828 53.230 49.916 1.00 0.00 ATOM 1668 C GLU A 209 -5.898 52.315 49.099 1.00 0.00 ATOM 1669 N ILE A 210 -7.033 51.752 48.767 1.00 0.00 ATOM 1670 CA ILE A 210 -8.194 52.096 49.555 1.00 0.00 ATOM 1671 CB ILE A 210 -9.372 52.561 48.717 1.00 0.00 ATOM 1672 CG1 ILE A 210 -9.115 54.025 48.350 1.00 0.00 ATOM 1673 CG2 ILE A 210 -10.658 52.468 49.485 1.00 0.00 ATOM 1674 CD1 ILE A 210 -10.233 54.664 47.531 1.00 0.00 ATOM 1675 O ILE A 210 -8.730 50.001 50.693 1.00 0.00 ATOM 1676 C ILE A 210 -8.465 51.200 50.763 1.00 0.00 ATOM 1677 N ASN A 211 -8.745 52.015 51.761 1.00 0.00 ATOM 1678 CA ASN A 211 -9.301 51.563 53.022 1.00 0.00 ATOM 1679 CB ASN A 211 -8.626 52.240 54.202 1.00 0.00 ATOM 1680 CG ASN A 211 -9.082 51.725 55.538 1.00 0.00 ATOM 1681 ND2 ASN A 211 -8.321 52.042 56.554 1.00 0.00 ATOM 1682 OD1 ASN A 211 -10.148 51.111 55.659 1.00 0.00 ATOM 1683 O ASN A 211 -11.274 52.957 53.154 1.00 0.00 ATOM 1684 C ASN A 211 -10.790 51.845 52.944 1.00 0.00 ATOM 1685 N CYS A 212 -11.462 50.788 52.543 1.00 0.00 ATOM 1686 CA CYS A 212 -12.904 50.916 52.512 1.00 0.00 ATOM 1687 CB CYS A 212 -13.534 50.566 51.219 1.00 0.00 ATOM 1688 SG CYS A 212 -13.516 51.888 49.991 1.00 0.00 ATOM 1689 O CYS A 212 -13.245 49.016 53.830 1.00 0.00 ATOM 1690 C CYS A 212 -13.480 50.218 53.685 1.00 0.00 ATOM 1691 N HIS A 213 -13.327 51.271 54.483 1.00 0.00 ATOM 1692 CA HIS A 213 -14.375 52.045 55.148 1.00 0.00 ATOM 1693 CB HIS A 213 -15.663 51.250 55.004 1.00 0.00 ATOM 1694 CG HIS A 213 -16.959 51.801 55.536 1.00 0.00 ATOM 1695 CD2 HIS A 213 -17.162 52.871 56.299 1.00 0.00 ATOM 1696 ND1 HIS A 213 -18.090 51.130 55.381 1.00 0.00 ATOM 1697 CE1 HIS A 213 -18.995 51.780 56.081 1.00 0.00 ATOM 1698 NE2 HIS A 213 -18.434 52.862 56.638 1.00 0.00 ATOM 1699 O HIS A 213 -13.723 51.184 57.241 1.00 0.00 ATOM 1700 C HIS A 213 -13.924 52.214 56.603 1.00 0.00 ATOM 1701 N PRO A 214 -13.812 53.422 57.181 1.00 0.00 ATOM 1702 CA PRO A 214 -13.282 53.568 58.541 1.00 0.00 ATOM 1703 CB PRO A 214 -12.612 54.946 58.516 1.00 0.00 ATOM 1704 CG PRO A 214 -13.614 55.756 57.710 1.00 0.00 ATOM 1705 CD PRO A 214 -14.050 54.764 56.639 1.00 0.00 ATOM 1706 O PRO A 214 -14.227 54.020 60.706 1.00 0.00 ATOM 1707 C PRO A 214 -14.379 53.494 59.605 1.00 0.00 ATOM 1708 N ALA A 215 -15.481 52.823 59.289 1.00 0.00 ATOM 1709 CA ALA A 215 -16.583 52.688 60.252 1.00 0.00 ATOM 1710 CB ALA A 215 -17.827 52.153 59.582 1.00 0.00 ATOM 1711 O ALA A 215 -15.350 50.944 61.356 1.00 0.00 ATOM 1712 C ALA A 215 -16.233 51.787 61.430 1.00 0.00 ATOM 1713 N PHE A 216 -16.922 52.055 62.527 1.00 0.00 ATOM 1714 CA PHE A 216 -16.915 51.177 63.698 1.00 0.00 ATOM 1715 CB PHE A 216 -17.181 52.000 64.949 1.00 0.00 ATOM 1716 CG PHE A 216 -17.078 51.141 66.209 1.00 0.00 ATOM 1717 CD1 PHE A 216 -15.857 50.720 66.717 1.00 0.00 ATOM 1718 CD2 PHE A 216 -18.232 50.805 66.886 1.00 0.00 ATOM 1719 CE1 PHE A 216 -15.828 49.970 67.865 1.00 0.00 ATOM 1720 CE2 PHE A 216 -18.178 50.044 68.055 1.00 0.00 ATOM 1721 CZ PHE A 216 -16.964 49.622 68.555 1.00 0.00 ATOM 1722 O PHE A 216 -19.169 50.505 63.249 1.00 0.00 ATOM 1723 C PHE A 216 -18.021 50.143 63.512 1.00 0.00 ATOM 1724 N ILE A 217 -17.608 48.900 63.640 1.00 0.00 ATOM 1725 CA ILE A 217 -18.519 47.787 63.355 1.00 0.00 ATOM 1726 CB ILE A 217 -17.896 46.866 62.301 1.00 0.00 ATOM 1727 CG1 ILE A 217 -17.516 47.637 61.027 1.00 0.00 ATOM 1728 CG2 ILE A 217 -18.969 45.860 61.909 1.00 0.00 ATOM 1729 CD1 ILE A 217 -16.434 46.955 60.195 1.00 0.00 ATOM 1730 O ILE A 217 -17.969 46.474 65.288 1.00 0.00 ATOM 1731 C ILE A 217 -18.857 47.024 64.647 1.00 0.00 ATOM 1732 N ASP A 218 -20.157 46.764 64.765 1.00 0.00 ATOM 1733 CA ASP A 218 -20.696 45.891 65.834 1.00 0.00 ATOM 1734 CB ASP A 218 -22.067 46.393 66.296 1.00 0.00 ATOM 1735 CG ASP A 218 -22.044 47.767 66.954 1.00 0.00 ATOM 1736 OD1 ASP A 218 -21.230 47.975 67.821 1.00 0.00 ATOM 1737 OD2 ASP A 218 -22.730 48.641 66.481 1.00 0.00 ATOM 1738 O ASP A 218 -21.056 43.540 66.255 1.00 0.00 ATOM 1739 C ASP A 218 -20.825 44.417 65.421 1.00 0.00 ATOM 1740 N THR A 219 -20.779 44.162 64.118 1.00 0.00 ATOM 1741 CA THR A 219 -21.091 42.835 63.544 1.00 0.00 ATOM 1742 CB THR A 219 -22.237 42.917 62.518 1.00 0.00 ATOM 1743 CG2 THR A 219 -23.497 43.464 63.171 1.00 0.00 ATOM 1744 OG1 THR A 219 -21.853 43.775 61.436 1.00 0.00 ATOM 1745 O THR A 219 -19.832 40.935 62.765 1.00 0.00 ATOM 1746 C THR A 219 -19.908 42.154 62.851 1.00 0.00 ATOM 1747 N ILE A 220 -18.948 42.924 62.362 1.00 0.00 ATOM 1748 CA ILE A 220 -17.795 42.446 61.550 1.00 0.00 ATOM 1749 CB ILE A 220 -16.743 43.555 61.270 1.00 0.00 ATOM 1750 CG1 ILE A 220 -15.730 43.029 60.268 1.00 0.00 ATOM 1751 CG2 ILE A 220 -15.966 44.119 62.484 1.00 0.00 ATOM 1752 CD1 ILE A 220 -14.760 44.086 59.718 1.00 0.00 ATOM 1753 O ILE A 220 -16.628 40.335 61.655 1.00 0.00 ATOM 1754 C ILE A 220 -17.070 41.311 62.259 1.00 0.00 ATOM 1755 N LEU A 221 -16.838 41.635 63.517 1.00 0.00 ATOM 1756 CA LEU A 221 -16.051 40.772 64.394 1.00 0.00 ATOM 1757 CB LEU A 221 -16.007 41.379 65.769 1.00 0.00 ATOM 1758 CG LEU A 221 -14.926 40.852 66.690 1.00 0.00 ATOM 1759 CD1 LEU A 221 -14.050 42.026 66.689 1.00 0.00 ATOM 1760 CD2 LEU A 221 -15.269 40.743 68.183 1.00 0.00 ATOM 1761 O LEU A 221 -16.258 38.452 64.592 1.00 0.00 ATOM 1762 C LEU A 221 -16.847 39.490 64.514 1.00 0.00 ATOM 1763 N GLN A 222 -18.161 39.508 64.414 1.00 0.00 ATOM 1764 CA GLN A 222 -18.926 38.256 64.581 1.00 0.00 ATOM 1765 CB GLN A 222 -20.429 38.543 64.596 1.00 0.00 ATOM 1766 CG GLN A 222 -20.913 39.266 65.842 1.00 0.00 ATOM 1767 CD GLN A 222 -22.383 39.631 65.765 1.00 0.00 ATOM 1768 OE1 GLN A 222 -23.034 39.429 64.737 1.00 0.00 ATOM 1769 NE2 GLN A 222 -22.914 40.175 66.854 1.00 0.00 ATOM 1770 O GLN A 222 -18.283 36.075 63.768 1.00 0.00 ATOM 1771 C GLN A 222 -18.631 37.215 63.478 1.00 0.00 ATOM 1772 N ASN A 223 -18.505 37.675 62.240 1.00 0.00 ATOM 1773 CA ASN A 223 -18.168 36.747 61.152 1.00 0.00 ATOM 1774 CB ASN A 223 -18.187 37.443 59.803 1.00 0.00 ATOM 1775 CG ASN A 223 -19.571 37.768 59.309 1.00 0.00 ATOM 1776 ND2 ASN A 223 -19.632 38.637 58.333 1.00 0.00 ATOM 1777 OD1 ASN A 223 -20.564 37.183 59.757 1.00 0.00 ATOM 1778 O ASN A 223 -16.616 34.922 61.074 1.00 0.00 ATOM 1779 C ASN A 223 -16.805 36.093 61.394 1.00 0.00 ATOM 1780 N GLN A 224 -15.836 36.913 61.803 1.00 0.00 ATOM 1781 CA GLN A 224 -14.473 36.394 62.001 1.00 0.00 ATOM 1782 CB GLN A 224 -13.633 36.598 60.738 1.00 0.00 ATOM 1783 CG GLN A 224 -14.115 35.806 59.535 1.00 0.00 ATOM 1784 CD GLN A 224 -13.964 34.309 59.728 1.00 0.00 ATOM 1785 OE1 GLN A 224 -12.999 33.842 60.338 1.00 0.00 ATOM 1786 NE2 GLN A 224 -14.915 33.547 59.204 1.00 0.00 ATOM 1787 O GLN A 224 -12.754 37.712 63.095 1.00 0.00 ATOM 1788 C GLN A 224 -13.800 37.093 63.211 1.00 0.00 ATOM 1789 N SER A 225 -14.330 36.772 64.397 1.00 0.00 ATOM 1790 CA SER A 225 -13.896 37.401 65.673 1.00 0.00 ATOM 1791 CB SER A 225 -14.766 36.913 66.816 1.00 0.00 ATOM 1792 OG SER A 225 -14.377 37.468 68.044 1.00 0.00 ATOM 1793 O SER A 225 -11.660 38.007 66.245 1.00 0.00 ATOM 1794 C SER A 225 -12.430 37.111 65.961 1.00 0.00 ATOM 1795 N GLY A 226 -12.116 35.831 65.790 1.00 0.00 ATOM 1796 CA GLY A 226 -10.760 35.297 65.970 1.00 0.00 ATOM 1797 O GLY A 226 -8.920 36.733 65.524 1.00 0.00 ATOM 1798 C GLY A 226 -9.781 36.019 65.042 1.00 0.00 ATOM 1799 N TYR A 227 -10.095 35.985 63.742 1.00 0.00 ATOM 1800 CA TYR A 227 -9.237 36.594 62.708 1.00 0.00 ATOM 1801 CB TYR A 227 -9.813 36.334 61.314 1.00 0.00 ATOM 1802 CG TYR A 227 -9.746 34.886 60.884 1.00 0.00 ATOM 1803 CD1 TYR A 227 -8.937 33.978 61.555 1.00 0.00 ATOM 1804 CD2 TYR A 227 -10.493 34.428 59.808 1.00 0.00 ATOM 1805 CE1 TYR A 227 -8.873 32.655 61.166 1.00 0.00 ATOM 1806 CE2 TYR A 227 -10.435 33.107 59.410 1.00 0.00 ATOM 1807 CZ TYR A 227 -9.625 32.223 60.092 1.00 0.00 ATOM 1808 OH TYR A 227 -9.565 30.905 59.700 1.00 0.00 ATOM 1809 O TYR A 227 -7.936 38.623 62.691 1.00 0.00 ATOM 1810 C TYR A 227 -9.040 38.103 62.887 1.00 0.00 ATOM 1811 N CYS A 228 -10.130 38.814 63.163 1.00 0.00 ATOM 1812 CA CYS A 228 -10.131 40.278 63.271 1.00 0.00 ATOM 1813 CB CYS A 228 -10.792 40.763 61.985 1.00 0.00 ATOM 1814 SG CYS A 228 -12.568 40.338 61.870 1.00 0.00 ATOM 1815 O CYS A 228 -11.935 40.371 64.864 1.00 0.00 ATOM 1816 C CYS A 228 -10.867 40.865 64.485 1.00 0.00 ATOM 1817 N MET A 229 -10.466 42.077 64.905 1.00 0.00 ATOM 1818 CA MET A 229 -11.186 42.889 65.922 1.00 0.00 ATOM 1819 CB MET A 229 -10.642 42.589 67.318 1.00 0.00 ATOM 1820 CG MET A 229 -11.349 43.334 68.442 1.00 0.00 ATOM 1821 SD MET A 229 -10.698 42.913 70.070 1.00 0.00 ATOM 1822 CE MET A 229 -11.335 41.251 70.271 1.00 0.00 ATOM 1823 O MET A 229 -9.911 44.739 65.241 1.00 0.00 ATOM 1824 C MET A 229 -11.038 44.369 65.573 1.00 0.00 ATOM 1825 N PRO A 230 -12.069 45.245 65.692 1.00 0.00 ATOM 1826 CA PRO A 230 -11.951 46.666 65.335 1.00 0.00 ATOM 1827 CB PRO A 230 -13.283 47.323 65.702 1.00 0.00 ATOM 1828 CG PRO A 230 -14.280 46.182 65.549 1.00 0.00 ATOM 1829 CD PRO A 230 -13.459 45.043 66.123 1.00 0.00 ATOM 1830 O PRO A 230 -9.996 47.996 65.513 1.00 0.00 ATOM 1831 C PRO A 230 -10.829 47.341 66.116 1.00 0.00 ATOM 1832 N ARG A 231 -10.716 46.961 67.389 1.00 0.00 ATOM 1833 CA ARG A 231 -9.682 47.517 68.280 1.00 0.00 ATOM 1834 CB ARG A 231 -9.864 47.069 69.722 1.00 0.00 ATOM 1835 CG ARG A 231 -11.061 47.679 70.435 1.00 0.00 ATOM 1836 CD ARG A 231 -11.262 47.190 71.824 1.00 0.00 ATOM 1837 NE ARG A 231 -12.425 47.746 72.495 1.00 0.00 ATOM 1838 CZ ARG A 231 -12.833 47.400 73.731 1.00 0.00 ATOM 1839 NH1 ARG A 231 -12.200 46.474 74.419 1.00 0.00 ATOM 1840 NH2 ARG A 231 -13.902 47.998 74.227 1.00 0.00 ATOM 1841 O ARG A 231 -7.391 48.066 67.793 1.00 0.00 ATOM 1842 C ARG A 231 -8.263 47.211 67.797 1.00 0.00 ATOM 1843 N ILE A 232 -8.068 45.954 67.408 1.00 0.00 ATOM 1844 CA ILE A 232 -6.768 45.454 66.905 1.00 0.00 ATOM 1845 CB ILE A 232 -6.822 43.946 66.604 1.00 0.00 ATOM 1846 CG1 ILE A 232 -6.988 43.147 67.900 1.00 0.00 ATOM 1847 CG2 ILE A 232 -5.570 43.506 65.862 1.00 0.00 ATOM 1848 CD1 ILE A 232 -7.321 41.689 67.683 1.00 0.00 ATOM 1849 O ILE A 232 -5.192 46.648 65.567 1.00 0.00 ATOM 1850 C ILE A 232 -6.330 46.194 65.640 1.00 0.00 ATOM 1851 N ARG A 233 -7.239 46.262 64.680 1.00 0.00 ATOM 1852 CA ARG A 233 -6.959 46.960 63.415 1.00 0.00 ATOM 1853 CB ARG A 233 -8.093 46.808 62.413 1.00 0.00 ATOM 1854 CG ARG A 233 -7.833 47.439 61.054 1.00 0.00 ATOM 1855 CD ARG A 233 -8.937 47.263 60.076 1.00 0.00 ATOM 1856 NE ARG A 233 -10.184 47.910 60.452 1.00 0.00 ATOM 1857 CZ ARG A 233 -11.385 47.631 59.911 1.00 0.00 ATOM 1858 NH1 ARG A 233 -11.503 46.745 58.945 1.00 0.00 ATOM 1859 NH2 ARG A 233 -12.441 48.287 60.358 1.00 0.00 ATOM 1860 O ARG A 233 -5.640 48.964 63.148 1.00 0.00 ATOM 1861 C ARG A 233 -6.621 48.431 63.670 1.00 0.00 ATOM 1862 N GLU A 234 -7.347 49.039 64.594 1.00 0.00 ATOM 1863 CA GLU A 234 -7.049 50.425 65.004 1.00 0.00 ATOM 1864 CB GLU A 234 -8.106 50.932 65.990 1.00 0.00 ATOM 1865 CG GLU A 234 -9.464 51.215 65.363 1.00 0.00 ATOM 1866 CD GLU A 234 -10.536 51.325 66.411 1.00 0.00 ATOM 1867 OE1 GLU A 234 -10.382 52.112 67.313 1.00 0.00 ATOM 1868 OE2 GLU A 234 -11.560 50.703 66.252 1.00 0.00 ATOM 1869 O GLU A 234 -4.921 51.448 65.259 1.00 0.00 ATOM 1870 C GLU A 234 -5.662 50.535 65.627 1.00 0.00 ATOM 1871 N VAL A 235 -5.319 49.523 66.420 1.00 0.00 ATOM 1872 CA VAL A 235 -4.004 49.461 67.058 1.00 0.00 ATOM 1873 CB VAL A 235 -3.761 48.248 67.969 1.00 0.00 ATOM 1874 CG1 VAL A 235 -2.324 48.263 68.516 1.00 0.00 ATOM 1875 CG2 VAL A 235 -4.671 48.354 69.195 1.00 0.00 ATOM 1876 O VAL A 235 -1.987 50.250 66.227 1.00 0.00 ATOM 1877 C VAL A 235 -2.934 49.526 65.978 1.00 0.00 ATOM 1878 N GLU A 236 -3.042 48.667 64.967 1.00 0.00 ATOM 1879 CA GLU A 236 -1.944 48.460 64.030 1.00 0.00 ATOM 1880 CB GLU A 236 -2.483 48.166 62.629 1.00 0.00 ATOM 1881 CG GLU A 236 -3.206 46.833 62.499 1.00 0.00 ATOM 1882 CD GLU A 236 -3.750 46.639 61.112 1.00 0.00 ATOM 1883 OE1 GLU A 236 -3.605 47.527 60.308 1.00 0.00 ATOM 1884 OE2 GLU A 236 -4.215 45.560 60.824 1.00 0.00 ATOM 1885 O GLU A 236 -0.984 50.488 63.020 1.00 0.00 ATOM 1886 C GLU A 236 -0.845 49.529 63.785 1.00 0.00 ATOM 1887 N ILE A 237 -0.008 49.431 64.844 1.00 0.00 ATOM 1888 CA ILE A 237 1.452 49.612 65.146 1.00 0.00 ATOM 1889 CB ILE A 237 1.781 51.078 65.485 1.00 0.00 ATOM 1890 CG1 ILE A 237 1.580 51.968 64.257 1.00 0.00 ATOM 1891 CG2 ILE A 237 3.206 51.195 66.004 1.00 0.00 ATOM 1892 CD1 ILE A 237 2.339 51.504 63.035 1.00 0.00 ATOM 1893 O ILE A 237 3.217 48.565 66.455 1.00 0.00 ATOM 1894 C ILE A 237 2.010 48.735 66.328 1.00 0.00 ATOM 1895 N LEU A 238 1.239 48.594 67.418 1.00 0.00 ATOM 1896 CA LEU A 238 1.752 48.122 68.727 1.00 0.00 ATOM 1897 CB LEU A 238 1.128 48.879 69.908 1.00 0.00 ATOM 1898 CG LEU A 238 1.491 50.355 69.939 1.00 0.00 ATOM 1899 CD1 LEU A 238 0.804 51.024 71.103 1.00 0.00 ATOM 1900 CD2 LEU A 238 2.976 50.560 70.154 1.00 0.00 ATOM 1901 O LEU A 238 1.840 46.137 70.045 1.00 0.00 ATOM 1902 C LEU A 238 1.519 46.630 68.979 1.00 0.00 ATOM 1903 N THR A 239 0.731 46.065 68.078 1.00 0.00 ATOM 1904 CA THR A 239 0.208 44.692 68.217 1.00 0.00 ATOM 1905 CB THR A 239 -1.262 44.738 68.574 1.00 0.00 ATOM 1906 CG2 THR A 239 -1.558 45.242 69.983 1.00 0.00 ATOM 1907 OG1 THR A 239 -1.960 45.504 67.567 1.00 0.00 ATOM 1908 O THR A 239 1.506 43.380 66.754 1.00 0.00 ATOM 1909 C THR A 239 0.398 43.814 66.981 1.00 0.00 ATOM 1910 N SER A 240 -0.653 43.570 66.198 1.00 0.00 ATOM 1911 CA SER A 240 -0.619 42.686 65.019 1.00 0.00 ATOM 1912 CB SER A 240 -1.993 42.618 64.379 1.00 0.00 ATOM 1913 OG SER A 240 -2.390 43.854 63.852 1.00 0.00 ATOM 1914 O SER A 240 1.115 42.280 63.435 1.00 0.00 ATOM 1915 C SER A 240 0.411 43.131 63.978 1.00 0.00 ATOM 1916 N GLN A 241 0.665 44.441 63.876 1.00 0.00 ATOM 1917 CA GLN A 241 1.714 45.031 63.016 1.00 0.00 ATOM 1918 CB GLN A 241 3.097 44.820 63.637 1.00 0.00 ATOM 1919 CG GLN A 241 3.300 45.534 64.962 1.00 0.00 ATOM 1920 CD GLN A 241 4.674 45.284 65.551 1.00 0.00 ATOM 1921 OE1 GLN A 241 5.547 44.700 64.901 1.00 0.00 ATOM 1922 NE2 GLN A 241 4.876 45.720 66.790 1.00 0.00 ATOM 1923 O GLN A 241 2.712 44.480 60.874 1.00 0.00 ATOM 1924 C GLN A 241 1.722 44.446 61.573 1.00 0.00 ATOM 1925 N GLU A 242 0.532 44.273 61.012 1.00 0.00 ATOM 1926 CA GLU A 242 0.367 43.589 59.728 1.00 0.00 ATOM 1927 CB GLU A 242 -0.935 42.786 59.712 1.00 0.00 ATOM 1928 CG GLU A 242 -0.983 41.645 60.718 1.00 0.00 ATOM 1929 CD GLU A 242 -2.191 40.776 60.502 1.00 0.00 ATOM 1930 OE1 GLU A 242 -2.945 41.053 59.600 1.00 0.00 ATOM 1931 OE2 GLU A 242 -2.301 39.771 61.163 1.00 0.00 ATOM 1932 O GLU A 242 1.198 44.271 57.628 1.00 0.00 ATOM 1933 C GLU A 242 0.376 44.537 58.484 1.00 0.00 ATOM 1934 N VAL A 243 -0.010 45.825 58.495 1.00 0.00 ATOM 1935 CA VAL A 243 -0.168 46.625 57.247 1.00 0.00 ATOM 1936 CB VAL A 243 -1.472 47.442 57.260 1.00 0.00 ATOM 1937 CG1 VAL A 243 -1.526 48.380 56.064 1.00 0.00 ATOM 1938 CG2 VAL A 243 -2.681 46.518 57.266 1.00 0.00 ATOM 1939 O VAL A 243 1.655 47.573 55.922 1.00 0.00 ATOM 1940 C VAL A 243 0.986 47.617 56.958 1.00 0.00 ATOM 1941 N LYS A 244 1.100 48.631 57.816 1.00 0.00 ATOM 1942 CA LYS A 244 2.202 49.606 57.722 1.00 0.00 ATOM 1943 CB LYS A 244 2.044 50.698 58.780 1.00 0.00 ATOM 1944 CG LYS A 244 3.163 51.731 58.791 1.00 0.00 ATOM 1945 CD LYS A 244 4.470 51.125 59.282 1.00 0.00 ATOM 1946 CE LYS A 244 5.535 52.193 59.484 1.00 0.00 ATOM 1947 NZ LYS A 244 6.764 51.642 60.116 1.00 0.00 ATOM 1948 O LYS A 244 4.428 49.148 57.010 1.00 0.00 ATOM 1949 C LYS A 244 3.573 48.943 57.870 1.00 0.00 ATOM 1950 N GLU A 245 3.677 48.055 58.855 1.00 0.00 ATOM 1951 CA GLU A 245 4.920 47.302 59.076 1.00 0.00 ATOM 1952 CB GLU A 245 4.803 46.432 60.329 1.00 0.00 ATOM 1953 CG GLU A 245 6.097 45.740 60.737 1.00 0.00 ATOM 1954 CD GLU A 245 7.162 46.737 61.097 1.00 0.00 ATOM 1955 OE1 GLU A 245 6.872 47.643 61.842 1.00 0.00 ATOM 1956 OE2 GLU A 245 8.291 46.534 60.718 1.00 0.00 ATOM 1957 O GLU A 245 6.411 46.474 57.371 1.00 0.00 ATOM 1958 C GLU A 245 5.304 46.423 57.895 1.00 0.00 ATOM 1959 N ALA A 246 4.304 45.779 57.307 1.00 0.00 ATOM 1960 CA ALA A 246 4.559 44.927 56.131 1.00 0.00 ATOM 1961 CB ALA A 246 3.280 44.237 55.701 1.00 0.00 ATOM 1962 O ALA A 246 6.261 45.548 54.513 1.00 0.00 ATOM 1963 C ALA A 246 5.131 45.742 54.957 1.00 0.00 ATOM 1964 N ILE A 247 4.427 46.822 54.619 1.00 0.00 ATOM 1965 CA ILE A 247 4.845 47.667 53.482 1.00 0.00 ATOM 1966 CB ILE A 247 3.792 48.747 53.234 1.00 0.00 ATOM 1967 CG1 ILE A 247 2.496 48.113 52.732 1.00 0.00 ATOM 1968 CG2 ILE A 247 4.259 49.776 52.211 1.00 0.00 ATOM 1969 CD1 ILE A 247 1.396 49.159 52.803 1.00 0.00 ATOM 1970 O ILE A 247 7.077 48.265 52.794 1.00 0.00 ATOM 1971 C ILE A 247 6.237 48.287 53.710 1.00 0.00 ATOM 1972 N GLU A 248 6.460 48.844 54.892 1.00 0.00 ATOM 1973 CA GLU A 248 7.778 49.410 55.248 1.00 0.00 ATOM 1974 CB GLU A 248 7.737 50.027 56.647 1.00 0.00 ATOM 1975 CG GLU A 248 9.040 50.681 57.084 1.00 0.00 ATOM 1976 CD GLU A 248 9.351 51.892 56.250 1.00 0.00 ATOM 1977 OE1 GLU A 248 8.495 52.316 55.511 1.00 0.00 ATOM 1978 OE2 GLU A 248 10.402 52.460 56.433 1.00 0.00 ATOM 1979 O GLU A 248 9.882 48.546 54.485 1.00 0.00 ATOM 1980 C GLU A 248 8.883 48.343 55.177 1.00 0.00 ATOM 1981 N GLU A 249 8.552 47.115 55.579 1.00 0.00 ATOM 1982 CA GLU A 249 9.506 45.989 55.493 1.00 0.00 ATOM 1983 CB GLU A 249 8.983 44.736 56.184 1.00 0.00 ATOM 1984 CG GLU A 249 9.040 44.864 57.707 1.00 0.00 ATOM 1985 CD GLU A 249 8.398 43.676 58.430 1.00 0.00 ATOM 1986 OE1 GLU A 249 8.002 42.710 57.729 1.00 0.00 ATOM 1987 OE2 GLU A 249 8.444 43.652 59.677 1.00 0.00 ATOM 1988 O GLU A 249 10.934 45.063 53.774 1.00 0.00 ATOM 1989 C GLU A 249 9.869 45.610 54.053 1.00 0.00 ATOM 1990 N ARG A 250 8.930 45.891 53.147 1.00 0.00 ATOM 1991 CA ARG A 250 9.099 45.694 51.691 1.00 0.00 ATOM 1992 CB ARG A 250 7.786 45.398 50.989 1.00 0.00 ATOM 1993 CG ARG A 250 7.179 44.083 51.450 1.00 0.00 ATOM 1994 CD ARG A 250 7.985 42.848 51.035 1.00 0.00 ATOM 1995 NE ARG A 250 7.174 41.641 51.257 1.00 0.00 ATOM 1996 CZ ARG A 250 7.470 40.439 50.759 1.00 0.00 ATOM 1997 NH1 ARG A 250 6.719 39.379 51.015 1.00 0.00 ATOM 1998 NH2 ARG A 250 8.491 40.269 49.965 1.00 0.00 ATOM 1999 O ARG A 250 10.007 46.801 49.750 1.00 0.00 ATOM 2000 C ARG A 250 9.801 46.848 50.964 1.00 0.00 ATOM 2001 N GLY A 251 10.112 47.876 51.745 1.00 0.00 ATOM 2002 CA GLY A 251 10.819 49.072 51.275 1.00 0.00 ATOM 2003 O GLY A 251 10.427 50.796 49.657 1.00 0.00 ATOM 2004 C GLY A 251 9.958 50.104 50.558 1.00 0.00 ATOM 2005 N ILE A 252 8.720 50.215 51.006 1.00 0.00 ATOM 2006 CA ILE A 252 7.811 51.202 50.396 1.00 0.00 ATOM 2007 CB ILE A 252 6.423 50.597 50.119 1.00 0.00 ATOM 2008 CG1 ILE A 252 6.497 49.597 48.963 1.00 0.00 ATOM 2009 CG2 ILE A 252 5.415 51.694 49.813 1.00 0.00 ATOM 2010 CD1 ILE A 252 6.813 48.183 49.397 1.00 0.00 ATOM 2011 O ILE A 252 7.357 52.343 52.492 1.00 0.00 ATOM 2012 C ILE A 252 7.665 52.432 51.307 1.00 0.00 ATOM 2013 N LEU A 253 7.857 53.575 50.668 1.00 0.00 ATOM 2014 CA LEU A 253 7.648 54.871 51.326 1.00 0.00 ATOM 2015 CB LEU A 253 8.602 55.921 50.744 1.00 0.00 ATOM 2016 CG LEU A 253 8.480 57.324 51.353 1.00 0.00 ATOM 2017 CD1 LEU A 253 8.911 57.300 52.814 1.00 0.00 ATOM 2018 CD2 LEU A 253 9.330 58.301 50.556 1.00 0.00 ATOM 2019 O LEU A 253 5.664 55.196 50.011 1.00 0.00 ATOM 2020 C LEU A 253 6.177 55.243 51.131 1.00 0.00 ATOM 2021 N LEU A 254 5.491 55.611 52.212 1.00 0.00 ATOM 2022 CA LEU A 254 4.069 56.005 52.089 1.00 0.00 ATOM 2023 CB LEU A 254 3.304 55.634 53.366 1.00 0.00 ATOM 2024 CG LEU A 254 3.271 54.136 53.695 1.00 0.00 ATOM 2025 CD1 LEU A 254 2.374 53.886 54.900 1.00 0.00 ATOM 2026 CD2 LEU A 254 2.775 53.360 52.483 1.00 0.00 ATOM 2027 O LEU A 254 4.748 58.317 52.254 1.00 0.00 ATOM 2028 C LEU A 254 3.948 57.514 51.801 1.00 0.00 ATOM 2029 N ALA A 255 3.102 57.866 50.840 1.00 0.00 ATOM 2030 CA ALA A 255 2.903 59.279 50.423 1.00 0.00 ATOM 2031 CB ALA A 255 3.572 59.488 49.058 1.00 0.00 ATOM 2032 O ALA A 255 0.580 58.754 50.284 1.00 0.00 ATOM 2033 C ALA A 255 1.408 59.651 50.322 1.00 0.00 ATOM 2034 N ASN A 256 1.086 60.946 50.181 1.00 0.00 ATOM 2035 CA ASN A 256 -0.293 61.388 49.854 1.00 0.00 ATOM 2036 CB ASN A 256 -0.652 62.708 50.562 1.00 0.00 ATOM 2037 CG ASN A 256 0.230 63.891 50.200 1.00 0.00 ATOM 2038 ND2 ASN A 256 1.138 64.200 51.070 1.00 0.00 ATOM 2039 OD1 ASN A 256 0.108 64.474 49.146 1.00 0.00 ATOM 2040 O ASN A 256 0.486 61.634 47.603 1.00 0.00 ATOM 2041 C ASN A 256 -0.490 61.558 48.348 1.00 0.00 ATOM 2042 N TYR A 257 -1.739 61.637 47.885 1.00 0.00 ATOM 2043 CA TYR A 257 -2.033 61.757 46.432 1.00 0.00 ATOM 2044 CB TYR A 257 -3.540 61.888 46.200 1.00 0.00 ATOM 2045 CG TYR A 257 -3.924 62.065 44.748 1.00 0.00 ATOM 2046 CD1 TYR A 257 -4.244 60.971 43.957 1.00 0.00 ATOM 2047 CD2 TYR A 257 -3.964 63.326 44.172 1.00 0.00 ATOM 2048 CE1 TYR A 257 -4.594 61.127 42.629 1.00 0.00 ATOM 2049 CE2 TYR A 257 -4.313 63.495 42.846 1.00 0.00 ATOM 2050 CZ TYR A 257 -4.628 62.392 42.078 1.00 0.00 ATOM 2051 OH TYR A 257 -4.978 62.554 40.757 1.00 0.00 ATOM 2052 O TYR A 257 -0.647 62.769 44.747 1.00 0.00 ATOM 2053 C TYR A 257 -1.312 62.955 45.761 1.00 0.00 ATOM 2054 N GLU A 258 -1.397 64.137 46.368 1.00 0.00 ATOM 2055 CA GLU A 258 -0.734 65.343 45.828 1.00 0.00 ATOM 2056 CB GLU A 258 -1.119 66.577 46.649 1.00 0.00 ATOM 2057 CG GLU A 258 -0.806 67.904 45.971 1.00 0.00 ATOM 2058 CD GLU A 258 -1.503 69.045 46.659 1.00 0.00 ATOM 2059 OE1 GLU A 258 -2.706 69.009 46.760 1.00 0.00 ATOM 2060 OE2 GLU A 258 -0.826 69.898 47.182 1.00 0.00 ATOM 2061 O GLU A 258 1.406 65.563 44.770 1.00 0.00 ATOM 2062 C GLU A 258 0.803 65.238 45.783 1.00 0.00 ATOM 2063 N SER A 259 1.389 64.739 46.863 1.00 0.00 ATOM 2064 CA SER A 259 2.850 64.629 47.004 1.00 0.00 ATOM 2065 CB SER A 259 3.263 64.513 48.477 1.00 0.00 ATOM 2066 OG SER A 259 2.866 63.260 49.035 1.00 0.00 ATOM 2067 O SER A 259 4.639 63.316 46.090 1.00 0.00 ATOM 2068 C SER A 259 3.425 63.431 46.241 1.00 0.00 ATOM 2069 N LEU A 260 2.546 62.528 45.825 1.00 0.00 ATOM 2070 CA LEU A 260 2.981 61.356 45.052 1.00 0.00 ATOM 2071 CB LEU A 260 1.785 60.446 44.751 1.00 0.00 ATOM 2072 CG LEU A 260 2.099 59.216 43.889 1.00 0.00 ATOM 2073 CD1 LEU A 260 0.808 58.595 43.373 1.00 0.00 ATOM 2074 CD2 LEU A 260 3.002 59.623 42.733 1.00 0.00 ATOM 2075 O LEU A 260 4.684 61.189 43.394 1.00 0.00 ATOM 2076 C LEU A 260 3.668 61.773 43.758 1.00 0.00 ATOM 2077 N ALA A 261 2.973 62.654 43.035 1.00 0.00 ATOM 2078 CA ALA A 261 3.482 63.152 41.753 1.00 0.00 ATOM 2079 CB ALA A 261 2.483 64.100 41.128 1.00 0.00 ATOM 2080 O ALA A 261 5.640 63.836 41.020 1.00 0.00 ATOM 2081 C ALA A 261 4.801 63.894 41.918 1.00 0.00 ATOM 2082 N MET A 262 4.827 64.751 42.941 1.00 0.00 ATOM 2083 CA MET A 262 6.027 65.527 43.244 1.00 0.00 ATOM 2084 CB MET A 262 5.792 66.469 44.416 1.00 0.00 ATOM 2085 CG MET A 262 4.924 67.618 43.953 1.00 0.00 ATOM 2086 SD MET A 262 4.876 69.045 45.091 1.00 0.00 ATOM 2087 CE MET A 262 4.164 68.268 46.519 1.00 0.00 ATOM 2088 O MET A 262 6.983 63.394 43.704 1.00 0.00 ATOM 2089 C MET A 262 7.203 64.624 43.601 1.00 0.00 ENDMDL EXPDTA 2i5iA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2i5iA ATOM 1 C SER 2 10.664 51.647 41.113 1.00 0.00 ATOM 2 N ASN A 3 10.582 53.087 41.785 1.00 0.00 ATOM 3 CA ASN A 3 10.057 52.866 43.136 1.00 0.00 ATOM 4 CB ASN A 3 10.525 53.970 44.078 1.00 0.00 ATOM 5 CG ASN A 3 10.348 55.348 43.472 1.00 0.00 ATOM 6 ND2 ASN A 3 11.294 56.238 43.752 1.00 0.00 ATOM 7 OD1 ASN A 3 9.366 55.582 42.765 1.00 0.00 ATOM 8 O ASN A 3 7.900 53.116 42.080 1.00 0.00 ATOM 9 C ASN A 3 8.537 52.743 43.073 1.00 0.00 ATOM 10 N LYS A 4 7.965 52.192 44.143 1.00 0.00 ATOM 11 CA LYS A 4 6.521 52.012 44.243 1.00 0.00 ATOM 12 CB LYS A 4 6.129 50.581 44.576 1.00 0.00 ATOM 13 CG LYS A 4 6.765 49.544 43.655 1.00 0.00 ATOM 14 CD LYS A 4 5.784 49.142 42.561 1.00 0.00 ATOM 15 CE LYS A 4 6.419 48.257 41.502 1.00 0.00 ATOM 16 NZ LYS A 4 5.799 46.907 41.379 1.00 0.00 ATOM 17 O LYS A 4 6.552 52.984 46.416 1.00 0.00 ATOM 18 C LYS A 4 6.002 52.973 45.314 1.00 0.00 ATOM 19 N LYS A 5 4.988 53.752 44.954 1.00 0.00 ATOM 20 CA LYS A 5 4.439 54.713 45.921 1.00 0.00 ATOM 21 CB LYS A 5 4.424 56.111 45.324 1.00 0.00 ATOM 22 CG LYS A 5 5.830 56.606 44.975 1.00 0.00 ATOM 23 CD LYS A 5 5.688 57.946 44.262 1.00 0.00 ATOM 24 CE LYS A 5 6.125 57.778 42.812 1.00 0.00 ATOM 25 NZ LYS A 5 7.587 58.037 42.720 1.00 0.00 ATOM 26 O LYS A 5 2.153 54.079 45.509 1.00 0.00 ATOM 27 C LYS A 5 3.048 54.265 46.339 1.00 0.00 ATOM 28 N LEU A 6 2.894 54.083 47.644 1.00 0.00 ATOM 29 CA LEU A 6 1.686 53.540 48.221 1.00 0.00 ATOM 30 CB LEU A 6 1.960 52.279 49.037 1.00 0.00 ATOM 31 CG LEU A 6 0.745 51.675 49.732 1.00 0.00 ATOM 32 CD1 LEU A 6 -0.335 51.286 48.729 1.00 0.00 ATOM 33 CD2 LEU A 6 1.102 50.437 50.556 1.00 0.00 ATOM 34 O LEU A 6 1.574 54.975 50.135 1.00 0.00 ATOM 35 C LEU A 6 1.005 54.571 49.140 1.00 0.00 ATOM 36 N ILE A 7 -0.176 54.972 48.726 1.00 0.00 ATOM 37 CA ILE A 7 -1.074 55.836 49.457 1.00 0.00 ATOM 38 CB ILE A 7 -1.805 56.781 48.500 1.00 0.00 ATOM 39 CG1 ILE A 7 -0.890 57.679 47.677 1.00 0.00 ATOM 40 CG2 ILE A 7 -2.841 57.587 49.268 1.00 0.00 ATOM 41 CD1 ILE A 7 -1.620 58.407 46.572 1.00 0.00 ATOM 42 O ILE A 7 -2.726 54.083 49.584 1.00 0.00 ATOM 43 C ILE A 7 -2.042 54.911 50.190 1.00 0.00 ATOM 44 N ILE A 8 -2.087 55.006 51.498 1.00 0.00 ATOM 45 CA ILE A 8 -2.990 54.317 52.408 1.00 0.00 ATOM 46 CB ILE A 8 -2.246 53.539 53.506 1.00 0.00 ATOM 47 CG1 ILE A 8 -1.225 52.597 52.896 1.00 0.00 ATOM 48 CG2 ILE A 8 -3.200 52.790 54.419 1.00 0.00 ATOM 49 CD1 ILE A 8 -0.432 51.748 53.849 1.00 0.00 ATOM 50 O ILE A 8 -3.512 56.255 53.751 1.00 0.00 ATOM 51 C ILE A 8 -3.899 55.395 52.974 1.00 0.00 ATOM 52 N ASN A 9 -5.133 55.355 52.467 1.00 0.00 ATOM 53 CA ASN A 9 -6.058 56.457 52.710 1.00 0.00 ATOM 54 CB ASN A 9 -6.579 57.096 51.411 1.00 0.00 ATOM 55 CG ASN A 9 -7.481 58.287 51.687 1.00 0.00 ATOM 56 ND2 ASN A 9 -8.732 57.980 51.953 1.00 0.00 ATOM 57 OD1 ASN A 9 -7.059 59.451 51.648 1.00 0.00 ATOM 58 O ASN A 9 -7.920 54.999 53.129 1.00 0.00 ATOM 59 C ASN A 9 -7.230 55.937 53.522 1.00 0.00 ATOM 60 N ALA A 10 -7.443 56.605 54.651 1.00 0.00 ATOM 61 CA ALA A 10 -8.581 56.296 55.507 1.00 0.00 ATOM 62 CB ALA A 10 -8.259 56.635 56.962 1.00 0.00 ATOM 63 O ALA A 10 -9.788 58.312 55.065 1.00 0.00 ATOM 64 C ALA A 10 -9.798 57.079 55.054 1.00 0.00 ATOM 65 N ASP A 11 -10.862 56.401 54.652 1.00 0.00 ATOM 66 CA ASP A 11 -12.085 57.102 54.299 1.00 0.00 ATOM 67 CB ASP A 11 -12.927 56.204 53.383 1.00 0.00 ATOM 68 CG ASP A 11 -12.255 55.916 52.054 1.00 0.00 ATOM 69 OD1 ASP A 11 -11.099 56.339 51.838 1.00 0.00 ATOM 70 OD2 ASP A 11 -12.896 55.250 51.207 1.00 0.00 ATOM 71 O ASP A 11 -12.764 56.890 56.606 1.00 0.00 ATOM 72 C ASP A 11 -12.877 57.519 55.545 1.00 0.00 ATOM 73 N ASP A 12 -13.641 58.589 55.428 1.00 0.00 ATOM 74 CA ASP A 12 -14.651 59.021 56.374 1.00 0.00 ATOM 75 CB ASP A 12 -15.380 57.810 56.982 1.00 0.00 ATOM 76 CG ASP A 12 -16.225 57.039 55.985 1.00 0.00 ATOM 77 OD1 ASP A 12 -16.539 57.635 54.936 1.00 0.00 ATOM 78 OD2 ASP A 12 -16.575 55.856 56.225 1.00 0.00 ATOM 79 O ASP A 12 -14.732 59.954 58.580 1.00 0.00 ATOM 80 C ASP A 12 -14.123 59.893 57.508 1.00 0.00 ATOM 81 N PHE A 13 -13.035 60.612 57.292 1.00 0.00 ATOM 82 CA PHE A 13 -12.621 61.626 58.295 1.00 0.00 ATOM 83 CB PHE A 13 -11.382 62.370 57.806 1.00 0.00 ATOM 84 CG PHE A 13 -10.559 63.005 58.925 1.00 0.00 ATOM 85 CD1 PHE A 13 -9.933 62.182 59.856 1.00 0.00 ATOM 86 CD2 PHE A 13 -10.441 64.377 58.998 1.00 0.00 ATOM 87 CE1 PHE A 13 -9.188 62.764 60.874 1.00 0.00 ATOM 88 CE2 PHE A 13 -9.690 64.966 60.012 1.00 0.00 ATOM 89 CZ PHE A 13 -9.065 64.142 60.925 1.00 0.00 ATOM 90 O PHE A 13 -14.485 63.014 57.700 1.00 0.00 ATOM 91 C PHE A 13 -13.754 62.577 58.594 1.00 0.00 ATOM 92 N GLY A 14 -13.979 62.946 59.860 1.00 0.00 ATOM 93 CA GLY A 14 -15.056 63.829 60.230 1.00 0.00 ATOM 94 O GLY A 14 -17.408 63.863 60.556 1.00 0.00 ATOM 95 C GLY A 14 -16.424 63.180 60.266 1.00 0.00 ATOM 96 N TYR A 15 -16.512 61.885 59.975 1.00 0.00 ATOM 97 CA TYR A 15 -17.785 61.183 59.981 1.00 0.00 ATOM 98 CB TYR A 15 -17.562 59.742 59.559 1.00 0.00 ATOM 99 CG TYR A 15 -18.775 58.936 59.170 1.00 0.00 ATOM 100 CD1 TYR A 15 -20.003 59.523 58.887 1.00 0.00 ATOM 101 CD2 TYR A 15 -18.668 57.556 59.088 1.00 0.00 ATOM 102 CE1 TYR A 15 -21.079 58.733 58.535 1.00 0.00 ATOM 103 CE2 TYR A 15 -19.748 56.764 58.730 1.00 0.00 ATOM 104 CZ TYR A 15 -20.953 57.364 58.457 1.00 0.00 ATOM 105 OH TYR A 15 -22.033 56.577 58.100 1.00 0.00 ATOM 106 O TYR A 15 -19.551 61.766 61.545 1.00 0.00 ATOM 107 C TYR A 15 -18.423 61.302 61.359 1.00 0.00 ATOM 108 N THR A 16 -17.680 60.846 62.367 1.00 0.00 ATOM 109 CA THR A 16 -18.076 61.021 63.767 1.00 0.00 ATOM 110 CB THR A 16 -18.914 59.867 64.320 1.00 0.00 ATOM 111 CG2 THR A 16 -19.468 58.868 63.292 1.00 0.00 ATOM 112 OG1 THR A 16 -18.118 58.992 65.117 1.00 0.00 ATOM 113 O THR A 16 -15.710 60.949 64.187 1.00 0.00 ATOM 114 C THR A 16 -16.825 61.276 64.610 1.00 0.00 ATOM 115 N PRO A 17 -16.962 61.862 65.790 1.00 0.00 ATOM 116 CA PRO A 17 -15.780 62.103 66.641 1.00 0.00 ATOM 117 CB PRO A 17 -16.436 62.532 67.976 1.00 0.00 ATOM 118 CG PRO A 17 -17.649 63.276 67.493 1.00 0.00 ATOM 119 CD PRO A 17 -18.187 62.351 66.410 1.00 0.00 ATOM 120 O PRO A 17 -13.653 61.038 66.822 1.00 0.00 ATOM 121 C PRO A 17 -14.872 60.904 66.851 1.00 0.00 ATOM 122 N ALA A 18 -15.374 59.692 67.077 1.00 0.00 ATOM 123 CA ALA A 18 -14.543 58.529 67.273 1.00 0.00 ATOM 124 CB ALA A 18 -15.334 57.378 67.903 1.00 0.00 ATOM 125 O ALA A 18 -12.836 57.412 66.020 1.00 0.00 ATOM 126 C ALA A 18 -13.916 57.984 65.987 1.00 0.00 ATOM 127 N VAL A 19 -14.613 58.152 64.865 1.00 0.00 ATOM 128 CA VAL A 19 -14.000 57.791 63.591 1.00 0.00 ATOM 129 CB VAL A 19 -14.969 57.920 62.409 1.00 0.00 ATOM 130 CG1 VAL A 19 -14.192 57.762 61.099 1.00 0.00 ATOM 131 CG2 VAL A 19 -16.082 56.889 62.479 1.00 0.00 ATOM 132 O VAL A 19 -11.691 58.173 63.204 1.00 0.00 ATOM 133 C VAL A 19 -12.778 58.695 63.409 1.00 0.00 ATOM 134 N THR A 20 -12.946 60.006 63.523 1.00 0.00 ATOM 135 CA THR A 20 -11.847 60.965 63.387 1.00 0.00 ATOM 136 CB THR A 20 -12.333 62.373 63.718 1.00 0.00 ATOM 137 CG2 THR A 20 -11.231 63.418 63.766 1.00 0.00 ATOM 138 OG1 THR A 20 -13.258 62.774 62.662 1.00 0.00 ATOM 139 O THR A 20 -9.497 60.557 63.872 1.00 0.00 ATOM 140 C THR A 20 -10.665 60.573 64.264 1.00 0.00 ATOM 141 N GLN A 21 -10.934 60.214 65.529 1.00 0.00 ATOM 142 CA GLN A 21 -9.765 59.905 66.377 1.00 0.00 ATOM 143 CB GLN A 21 -10.142 60.005 67.853 1.00 0.00 ATOM 144 CG GLN A 21 -10.531 61.404 68.314 1.00 0.00 ATOM 145 CD GLN A 21 -9.393 62.392 68.153 1.00 0.00 ATOM 146 OE1 GLN A 21 -8.244 62.067 68.414 1.00 0.00 ATOM 147 NE2 GLN A 21 -9.668 63.638 67.769 1.00 0.00 ATOM 148 O GLN A 21 -7.968 58.305 66.212 1.00 0.00 ATOM 149 C GLN A 21 -9.168 58.538 66.068 1.00 0.00 ATOM 150 N GLY A 22 -9.986 57.593 65.613 1.00 0.00 ATOM 151 CA GLY A 22 -9.444 56.323 65.163 1.00 0.00 ATOM 152 O GLY A 22 -7.499 55.863 63.866 1.00 0.00 ATOM 153 C GLY A 22 -8.547 56.492 63.948 1.00 0.00 ATOM 154 N ILE A 23 -8.957 57.356 63.014 1.00 0.00 ATOM 155 CA ILE A 23 -8.058 57.629 61.885 1.00 0.00 ATOM 156 CB ILE A 23 -8.777 58.502 60.841 1.00 0.00 ATOM 157 CG1 ILE A 23 -9.884 57.710 60.128 1.00 0.00 ATOM 158 CG2 ILE A 23 -7.821 59.076 59.824 1.00 0.00 ATOM 159 CD1 ILE A 23 -10.923 58.565 59.457 1.00 0.00 ATOM 160 O ILE A 23 -5.673 57.894 61.909 1.00 0.00 ATOM 161 C ILE A 23 -6.766 58.277 62.329 1.00 0.00 ATOM 162 N ILE A 24 -6.847 59.279 63.221 1.00 0.00 ATOM 163 CA ILE A 24 -5.617 59.916 63.694 1.00 0.00 ATOM 164 CB ILE A 24 -5.972 61.084 64.642 1.00 0.00 ATOM 165 CG1 ILE A 24 -6.576 62.268 63.897 1.00 0.00 ATOM 166 CG2 ILE A 24 -4.763 61.519 65.467 1.00 0.00 ATOM 167 CD1 ILE A 24 -7.126 63.425 64.710 1.00 0.00 ATOM 168 O ILE A 24 -3.466 58.977 64.109 1.00 0.00 ATOM 169 C ILE A 24 -4.679 58.907 64.326 1.00 0.00 ATOM 170 N GLU A 25 -5.199 57.948 65.087 1.00 0.00 ATOM 171 CA GLU A 25 -4.385 56.894 65.692 1.00 0.00 ATOM 172 CB GLU A 25 -5.309 56.013 66.537 1.00 0.00 ATOM 173 CG GLU A 25 -4.599 54.924 67.310 1.00 0.00 ATOM 174 CD GLU A 25 -3.713 55.370 68.454 1.00 0.00 ATOM 175 OE1 GLU A 25 -3.758 56.545 68.879 1.00 0.00 ATOM 176 OE2 GLU A 25 -2.939 54.509 68.949 1.00 0.00 ATOM 177 O GLU A 25 -2.459 55.727 64.779 1.00 0.00 ATOM 178 C GLU A 25 -3.632 56.043 64.670 1.00 0.00 ATOM 179 N ALA A 26 -4.400 55.638 63.663 1.00 0.00 ATOM 180 CA ALA A 26 -3.904 54.807 62.576 1.00 0.00 ATOM 181 CB ALA A 26 -5.104 54.440 61.692 1.00 0.00 ATOM 182 O ALA A 26 -1.931 54.881 61.230 1.00 0.00 ATOM 183 C ALA A 26 -2.820 55.520 61.786 1.00 0.00 ATOM 184 N HIS A 27 -2.867 56.848 61.732 1.00 0.00 ATOM 185 CA HIS A 27 -1.795 57.590 61.074 1.00 0.00 ATOM 186 CB HIS A 27 -2.301 58.965 60.647 1.00 0.00 ATOM 187 CG HIS A 27 -1.267 59.951 60.238 1.00 0.00 ATOM 188 CD2 HIS A 27 -0.770 61.060 60.831 1.00 0.00 ATOM 189 ND1 HIS A 27 -0.586 59.838 59.043 1.00 0.00 ATOM 190 CE1 HIS A 27 0.279 60.824 58.921 1.00 0.00 ATOM 191 NE2 HIS A 27 0.186 61.592 59.990 1.00 0.00 ATOM 192 O HIS A 27 0.556 57.424 61.591 1.00 0.00 ATOM 193 C HIS A 27 -0.578 57.736 61.976 1.00 0.00 ATOM 194 N LYS A 28 -0.809 58.207 63.198 1.00 0.00 ATOM 195 CA LYS A 28 0.294 58.583 64.085 1.00 0.00 ATOM 196 CB LYS A 28 -0.240 59.422 65.253 1.00 0.00 ATOM 197 CG LYS A 28 -0.680 60.822 64.838 1.00 0.00 ATOM 198 CD LYS A 28 -1.248 61.601 66.016 1.00 0.00 ATOM 199 CE LYS A 28 -0.184 62.497 66.635 1.00 0.00 ATOM 200 NZ LYS A 28 -0.561 62.860 68.045 1.00 0.00 ATOM 201 O LYS A 28 2.275 57.474 64.748 1.00 0.00 ATOM 202 C LYS A 28 1.059 57.368 64.590 1.00 0.00 ATOM 203 N ARG A 29 0.379 56.260 64.846 1.00 0.00 ATOM 204 CA ARG A 29 0.970 55.027 65.313 1.00 0.00 ATOM 205 CB ARG A 29 0.110 54.427 66.459 1.00 0.00 ATOM 206 CG ARG A 29 0.973 53.625 67.432 1.00 0.00 ATOM 207 CD ARG A 29 0.137 52.847 68.448 1.00 0.00 ATOM 208 NE ARG A 29 -0.574 53.784 69.310 1.00 0.00 ATOM 209 CZ ARG A 29 -0.056 54.443 70.338 1.00 0.00 ATOM 210 NH1 ARG A 29 1.207 54.299 70.700 1.00 0.00 ATOM 211 NH2 ARG A 29 -0.821 55.274 71.040 1.00 0.00 ATOM 212 O ARG A 29 1.579 52.862 64.468 1.00 0.00 ATOM 213 C ARG A 29 1.092 53.961 64.233 1.00 0.00 ATOM 214 N GLY A 30 0.608 54.232 63.020 1.00 0.00 ATOM 215 CA GLY A 30 0.429 53.182 62.031 1.00 0.00 ATOM 216 O GLY A 30 1.537 54.618 60.477 1.00 0.00 ATOM 217 C GLY A 30 0.799 53.654 60.629 1.00 0.00 ATOM 218 N VAL A 31 0.270 52.991 59.598 1.00 0.00 ATOM 219 CA VAL A 31 0.759 53.314 58.249 1.00 0.00 ATOM 220 CB VAL A 31 1.148 52.000 57.524 1.00 0.00 ATOM 221 CG1 VAL A 31 2.347 51.359 58.220 1.00 0.00 ATOM 222 CG2 VAL A 31 -0.022 51.043 57.456 1.00 0.00 ATOM 223 O VAL A 31 0.071 54.358 56.208 1.00 0.00 ATOM 224 C VAL A 31 -0.201 54.131 57.400 1.00 0.00 ATOM 225 N VAL A 32 -1.304 54.633 57.936 1.00 0.00 ATOM 226 CA VAL A 32 -2.216 55.516 57.211 1.00 0.00 ATOM 227 CB VAL A 32 -3.518 55.800 57.978 1.00 0.00 ATOM 228 CG1 VAL A 32 -4.338 56.879 57.284 1.00 0.00 ATOM 229 CG2 VAL A 32 -4.314 54.511 58.151 1.00 0.00 ATOM 230 O VAL A 32 -0.966 57.509 57.774 1.00 0.00 ATOM 231 C VAL A 32 -1.501 56.826 56.893 1.00 0.00 ATOM 232 N THR A 33 -1.456 57.200 55.612 1.00 0.00 ATOM 233 CA THR A 33 -0.724 58.409 55.235 1.00 0.00 ATOM 234 CB THR A 33 0.255 58.105 54.064 1.00 0.00 ATOM 235 CG2 THR A 33 1.015 56.813 54.249 1.00 0.00 ATOM 236 OG1 THR A 33 -0.580 57.947 52.908 1.00 0.00 ATOM 237 O THR A 33 -1.162 60.700 54.624 1.00 0.00 ATOM 238 C THR A 33 -1.612 59.549 54.789 1.00 0.00 ATOM 239 N SER A 34 -2.884 59.261 54.600 1.00 0.00 ATOM 240 CA SER A 34 -3.879 60.168 54.067 1.00 0.00 ATOM 241 CB SER A 34 -3.816 60.036 52.540 1.00 0.00 ATOM 242 OG SER A 34 -4.782 60.847 51.906 1.00 0.00 ATOM 243 O SER A 34 -5.500 58.691 55.000 1.00 0.00 ATOM 244 C SER A 34 -5.270 59.834 54.573 1.00 0.00 ATOM 245 N THR A 35 -6.168 60.794 54.501 1.00 0.00 ATOM 246 CA THR A 35 -7.584 60.575 54.759 1.00 0.00 ATOM 247 CB THR A 35 -7.909 60.819 56.241 1.00 0.00 ATOM 248 CG2 THR A 35 -7.830 62.320 56.520 1.00 0.00 ATOM 249 OG1 THR A 35 -9.226 60.376 56.610 1.00 0.00 ATOM 250 O THR A 35 -7.911 62.477 53.323 1.00 0.00 ATOM 251 C THR A 35 -8.408 61.472 53.853 1.00 0.00 ATOM 252 N THR A 36 -9.676 61.114 53.709 1.00 0.00 ATOM 253 CA THR A 36 -10.606 62.002 52.992 1.00 0.00 ATOM 254 CB THR A 36 -11.051 61.438 51.641 1.00 0.00 ATOM 255 CG2 THR A 36 -9.862 61.525 50.683 1.00 0.00 ATOM 256 OG1 THR A 36 -11.449 60.074 51.759 1.00 0.00 ATOM 257 O THR A 36 -12.304 61.291 54.463 1.00 0.00 ATOM 258 C THR A 36 -11.818 62.270 53.884 1.00 0.00 ATOM 259 N ALA A 37 -12.179 63.532 53.958 1.00 0.00 ATOM 260 CA ALA A 37 -13.121 64.079 54.918 1.00 0.00 ATOM 261 CB ALA A 37 -12.457 65.312 55.551 1.00 0.00 ATOM 262 O ALA A 37 -14.524 65.013 53.230 1.00 0.00 ATOM 263 C ALA A 37 -14.464 64.487 54.345 1.00 0.00 ATOM 264 N LEU A 38 -15.523 64.275 55.128 1.00 0.00 ATOM 265 CA LEU A 38 -16.882 64.632 54.744 1.00 0.00 ATOM 266 CB LEU A 38 -17.845 63.597 55.310 1.00 0.00 ATOM 267 CG LEU A 38 -17.687 62.133 54.899 1.00 0.00 ATOM 268 CD1 LEU A 38 -18.163 61.218 56.015 1.00 0.00 ATOM 269 CD2 LEU A 38 -18.465 61.864 53.598 1.00 0.00 ATOM 270 O LEU A 38 -17.712 66.219 56.349 1.00 0.00 ATOM 271 C LEU A 38 -17.297 66.019 55.199 1.00 0.00 ATOM 272 N PRO A 39 -17.282 67.035 54.344 1.00 0.00 ATOM 273 CA PRO A 39 -17.844 68.327 54.712 1.00 0.00 ATOM 274 CB PRO A 39 -17.613 69.216 53.470 1.00 0.00 ATOM 275 CG PRO A 39 -17.132 68.308 52.405 1.00 0.00 ATOM 276 CD PRO A 39 -16.728 67.000 52.977 1.00 0.00 ATOM 277 O PRO A 39 -19.883 69.254 55.627 1.00 0.00 ATOM 278 C PRO A 39 -19.341 68.328 55.010 1.00 0.00 ATOM 279 N THR A 40 -20.052 67.296 54.571 1.00 0.00 ATOM 280 CA THR A 40 -21.480 67.156 54.777 1.00 0.00 ATOM 281 CB THR A 40 -22.095 66.130 53.797 1.00 0.00 ATOM 282 CG2 THR A 40 -22.299 66.825 52.456 1.00 0.00 ATOM 283 OG1 THR A 40 -21.199 65.034 53.605 1.00 0.00 ATOM 284 O THR A 40 -22.924 66.717 56.656 1.00 0.00 ATOM 285 C THR A 40 -21.780 66.717 56.205 1.00 0.00 ATOM 286 N SER A 41 -20.706 66.354 56.914 1.00 0.00 ATOM 287 CA SER A 41 -20.853 65.950 58.312 1.00 0.00 ATOM 288 CB SER A 41 -19.738 64.946 58.645 1.00 0.00 ATOM 289 OG SER A 41 -20.004 64.347 59.906 1.00 0.00 ATOM 290 O SER A 41 -19.938 67.997 59.221 1.00 0.00 ATOM 291 C SER A 41 -20.772 67.105 59.286 1.00 0.00 ATOM 292 N PRO A 42 -21.648 67.149 60.285 1.00 0.00 ATOM 293 CA PRO A 42 -21.587 68.329 61.178 1.00 0.00 ATOM 294 CB PRO A 42 -22.788 68.123 62.089 1.00 0.00 ATOM 295 CG PRO A 42 -23.163 66.700 61.976 1.00 0.00 ATOM 296 CD PRO A 42 -22.688 66.196 60.634 1.00 0.00 ATOM 297 O PRO A 42 -19.875 69.461 62.432 1.00 0.00 ATOM 298 C PRO A 42 -20.285 68.396 61.972 1.00 0.00 ATOM 299 N TYR A 43 -19.602 67.276 62.131 1.00 0.00 ATOM 300 CA TYR A 43 -18.324 67.155 62.817 1.00 0.00 ATOM 301 CB TYR A 43 -18.137 65.699 63.291 1.00 0.00 ATOM 302 CG TYR A 43 -19.305 65.223 64.105 1.00 0.00 ATOM 303 CD1 TYR A 43 -19.448 65.701 65.411 1.00 0.00 ATOM 304 CD2 TYR A 43 -20.246 64.334 63.615 1.00 0.00 ATOM 305 CE1 TYR A 43 -20.500 65.292 66.187 1.00 0.00 ATOM 306 CE2 TYR A 43 -21.304 63.932 64.409 1.00 0.00 ATOM 307 CZ TYR A 43 -21.424 64.409 65.691 1.00 0.00 ATOM 308 OH TYR A 43 -22.475 64.027 66.492 1.00 0.00 ATOM 309 O TYR A 43 -15.989 67.397 62.382 1.00 0.00 ATOM 310 C TYR A 43 -17.136 67.521 61.943 1.00 0.00 ATOM 311 N PHE A 44 -17.363 67.961 60.702 1.00 0.00 ATOM 312 CA PHE A 44 -16.214 68.193 59.820 1.00 0.00 ATOM 313 CB PHE A 44 -16.709 68.689 58.456 1.00 0.00 ATOM 314 CG PHE A 44 -15.628 69.226 57.542 1.00 0.00 ATOM 315 CD1 PHE A 44 -14.708 68.373 56.958 1.00 0.00 ATOM 316 CD2 PHE A 44 -15.560 70.576 57.289 1.00 0.00 ATOM 317 CE1 PHE A 44 -13.714 68.879 56.123 1.00 0.00 ATOM 318 CE2 PHE A 44 -14.593 71.100 56.446 1.00 0.00 ATOM 319 CZ PHE A 44 -13.691 70.224 55.864 1.00 0.00 ATOM 320 O PHE A 44 -13.990 68.914 60.329 1.00 0.00 ATOM 321 C PHE A 44 -15.183 69.189 60.324 1.00 0.00 ATOM 322 N LEU A 45 -15.637 70.387 60.709 1.00 0.00 ATOM 323 CA LEU A 45 -14.710 71.435 61.096 1.00 0.00 ATOM 324 CB LEU A 45 -15.463 72.772 61.177 1.00 0.00 ATOM 325 CG LEU A 45 -15.782 73.479 59.865 1.00 0.00 ATOM 326 CD1 LEU A 45 -16.443 74.836 60.124 1.00 0.00 ATOM 327 CD2 LEU A 45 -14.561 73.724 58.996 1.00 0.00 ATOM 328 O LEU A 45 -12.773 71.272 62.522 1.00 0.00 ATOM 329 C LEU A 45 -13.985 71.052 62.367 1.00 0.00 ATOM 330 N GLU A 46 -14.679 70.424 63.298 1.00 0.00 ATOM 331 CA GLU A 46 -13.985 69.923 64.500 1.00 0.00 ATOM 332 CB GLU A 46 -15.004 69.267 65.437 1.00 0.00 ATOM 333 CG GLU A 46 -15.991 70.269 66.013 1.00 0.00 ATOM 334 CD GLU A 46 -17.179 69.603 66.674 1.00 0.00 ATOM 335 OE1 GLU A 46 -17.250 68.363 66.648 1.00 0.00 ATOM 336 OE2 GLU A 46 -18.029 70.343 67.216 1.00 0.00 ATOM 337 O GLU A 46 -11.761 68.945 64.660 1.00 0.00 ATOM 338 C GLU A 46 -12.889 68.943 64.149 1.00 0.00 ATOM 339 N ALA A 47 -13.197 68.034 63.227 1.00 0.00 ATOM 340 CA ALA A 47 -12.209 67.070 62.770 1.00 0.00 ATOM 341 CB ALA A 47 -12.860 66.129 61.757 1.00 0.00 ATOM 342 O ALA A 47 -9.825 67.420 62.400 1.00 0.00 ATOM 343 C ALA A 47 -10.995 67.760 62.180 1.00 0.00 ATOM 344 N MET A 48 -11.244 68.806 61.378 1.00 0.00 ATOM 345 CA MET A 48 -10.126 69.471 60.728 1.00 0.00 ATOM 346 CB MET A 48 -10.686 70.387 59.620 1.00 0.00 ATOM 347 CG MET A 48 -11.371 69.584 58.519 1.00 0.00 ATOM 348 SD MET A 48 -10.270 68.543 57.537 1.00 0.00 ATOM 349 CE MET A 48 -9.148 69.783 56.892 1.00 0.00 ATOM 350 O MET A 48 -8.055 70.263 61.662 1.00 0.00 ATOM 351 C MET A 48 -9.279 70.212 61.754 1.00 0.00 ATOM 352 N GLU A 49 -9.931 70.759 62.784 1.00 0.00 ATOM 353 CA GLU A 49 -9.184 71.371 63.890 1.00 0.00 ATOM 354 CB GLU A 49 -10.167 72.038 64.858 1.00 0.00 ATOM 355 CG GLU A 49 -9.608 72.572 66.158 1.00 0.00 ATOM 356 CD GLU A 49 -8.439 73.516 66.032 1.00 0.00 ATOM 357 OE1 GLU A 49 -8.216 74.116 64.959 1.00 0.00 ATOM 358 OE2 GLU A 49 -7.719 73.667 67.044 1.00 0.00 ATOM 359 O GLU A 49 -7.160 70.557 64.932 1.00 0.00 ATOM 360 C GLU A 49 -8.345 70.332 64.629 1.00 0.00 ATOM 361 N SER A 50 -8.901 69.179 64.937 1.00 0.00 ATOM 362 CA SER A 50 -8.137 68.134 65.632 1.00 0.00 ATOM 363 CB SER A 50 -9.046 66.931 65.895 1.00 0.00 ATOM 364 OG SER A 50 -8.391 65.919 66.624 1.00 0.00 ATOM 365 O SER A 50 -5.780 67.500 65.281 1.00 0.00 ATOM 366 C SER A 50 -6.913 67.721 64.843 1.00 0.00 ATOM 367 N ALA A 51 -7.133 67.618 63.511 1.00 0.00 ATOM 368 CA ALA A 51 -5.961 67.287 62.688 1.00 0.00 ATOM 369 CB ALA A 51 -6.434 67.058 61.246 1.00 0.00 ATOM 370 O ALA A 51 -3.691 68.039 62.843 1.00 0.00 ATOM 371 C ALA A 51 -4.882 68.348 62.769 1.00 0.00 ATOM 372 N ARG A 52 -5.286 69.605 62.717 1.00 0.00 ATOM 373 CA ARG A 52 -4.349 70.704 62.744 1.00 0.00 ATOM 374 CB ARG A 52 -5.067 72.047 62.715 1.00 0.00 ATOM 375 CG ARG A 52 -4.168 73.261 62.760 1.00 0.00 ATOM 376 CD ARG A 52 -4.960 74.563 62.838 1.00 0.00 ATOM 377 NE ARG A 52 -5.606 74.727 64.137 1.00 0.00 ATOM 378 CZ ARG A 52 -5.117 75.351 65.196 1.00 0.00 ATOM 379 NH1 ARG A 52 -3.923 75.932 65.192 1.00 0.00 ATOM 380 NH2 ARG A 52 -5.843 75.401 66.306 1.00 0.00 ATOM 381 O ARG A 52 -2.303 70.916 63.935 1.00 0.00 ATOM 382 C ARG A 52 -3.484 70.661 64.011 1.00 0.00 ATOM 383 N ILE A 53 -4.156 70.337 65.117 1.00 0.00 ATOM 384 CA ILE A 53 -3.363 70.450 66.358 1.00 0.00 ATOM 385 CB ILE A 53 -4.203 71.020 67.504 1.00 0.00 ATOM 386 CG1 ILE A 53 -5.281 70.095 68.048 1.00 0.00 ATOM 387 CG2 ILE A 53 -4.825 72.347 67.070 1.00 0.00 ATOM 388 CD1 ILE A 53 -6.053 70.682 69.217 1.00 0.00 ATOM 389 O ILE A 53 -1.674 69.175 67.378 1.00 0.00 ATOM 390 C ILE A 53 -2.744 69.129 66.747 1.00 0.00 ATOM 391 N SER A 54 -3.361 68.003 66.415 1.00 0.00 ATOM 392 CA SER A 54 -2.840 66.718 66.879 1.00 0.00 ATOM 393 CB SER A 54 -3.912 66.065 67.770 1.00 0.00 ATOM 394 OG SER A 54 -4.885 65.372 67.048 1.00 0.00 ATOM 395 O SER A 54 -1.700 64.781 66.092 1.00 0.00 ATOM 396 C SER A 54 -2.368 65.784 65.775 1.00 0.00 ATOM 397 N ALA A 55 -2.626 66.051 64.492 1.00 0.00 ATOM 398 CA ALA A 55 -2.109 65.224 63.400 1.00 0.00 ATOM 399 CB ALA A 55 -3.190 64.269 62.907 1.00 0.00 ATOM 400 O ALA A 55 -2.077 65.890 61.109 1.00 0.00 ATOM 401 C ALA A 55 -1.613 66.080 62.236 1.00 0.00 ATOM 402 N PRO A 56 -0.714 67.026 62.470 1.00 0.00 ATOM 403 CA PRO A 56 -0.329 68.012 61.456 1.00 0.00 ATOM 404 CB PRO A 56 0.687 68.908 62.177 1.00 0.00 ATOM 405 CG PRO A 56 1.205 68.050 63.296 1.00 0.00 ATOM 406 CD PRO A 56 0.022 67.235 63.732 1.00 0.00 ATOM 407 O PRO A 56 0.439 68.010 59.185 1.00 0.00 ATOM 408 C PRO A 56 0.351 67.376 60.242 1.00 0.00 ATOM 409 N THR A 57 0.833 66.144 60.368 1.00 0.00 ATOM 410 CA THR A 57 1.463 65.460 59.263 1.00 0.00 ATOM 411 CB THR A 57 2.475 64.409 59.756 1.00 0.00 ATOM 412 CG2 THR A 57 3.628 65.080 60.498 1.00 0.00 ATOM 413 OG1 THR A 57 1.849 63.537 60.703 1.00 0.00 ATOM 414 O THR A 57 0.813 64.157 57.341 1.00 0.00 ATOM 415 C THR A 57 0.445 64.763 58.359 1.00 0.00 ATOM 416 N LEU A 58 -0.834 64.796 58.732 1.00 0.00 ATOM 417 CA LEU A 58 -1.793 63.963 57.989 1.00 0.00 ATOM 418 CB LEU A 58 -2.937 63.555 58.910 1.00 0.00 ATOM 419 CG LEU A 58 -4.110 62.797 58.287 1.00 0.00 ATOM 420 CD1 LEU A 58 -3.632 61.501 57.657 1.00 0.00 ATOM 421 CD2 LEU A 58 -5.201 62.514 59.307 1.00 0.00 ATOM 422 O LEU A 58 -2.777 65.797 56.808 1.00 0.00 ATOM 423 C LEU A 58 -2.310 64.663 56.744 1.00 0.00 ATOM 424 N ALA A 59 -2.211 63.967 55.603 1.00 0.00 ATOM 425 CA ALA A 59 -2.723 64.568 54.367 1.00 0.00 ATOM 426 CB ALA A 59 -1.972 64.022 53.166 1.00 0.00 ATOM 427 O ALA A 59 -4.761 63.290 54.625 1.00 0.00 ATOM 428 C ALA A 59 -4.224 64.340 54.270 1.00 0.00 ATOM 429 N ILE A 60 -4.952 65.359 53.795 1.00 0.00 ATOM 430 CA ILE A 60 -6.400 65.298 53.800 1.00 0.00 ATOM 431 CB ILE A 60 -6.983 66.156 54.946 1.00 0.00 ATOM 432 CG1 ILE A 60 -6.383 65.776 56.304 1.00 0.00 ATOM 433 CG2 ILE A 60 -8.496 66.093 54.962 1.00 0.00 ATOM 434 CD1 ILE A 60 -6.906 66.655 57.428 1.00 0.00 ATOM 435 O ILE A 60 -6.758 66.885 52.050 1.00 0.00 ATOM 436 C ILE A 60 -7.039 65.772 52.484 1.00 0.00 ATOM 437 N GLY A 61 -7.874 64.921 51.912 1.00 0.00 ATOM 438 CA GLY A 61 -8.632 65.197 50.700 1.00 0.00 ATOM 439 O GLY A 61 -10.563 65.132 52.160 1.00 0.00 ATOM 440 C GLY A 61 -10.113 65.292 51.013 1.00 0.00 ATOM 441 N VAL A 62 -10.913 65.549 49.970 1.00 0.00 ATOM 442 CA VAL A 62 -12.349 65.751 50.171 1.00 0.00 ATOM 443 CB VAL A 62 -12.850 67.023 49.466 1.00 0.00 ATOM 444 CG1 VAL A 62 -12.530 67.018 47.969 1.00 0.00 ATOM 445 CG2 VAL A 62 -14.344 67.233 49.668 1.00 0.00 ATOM 446 O VAL A 62 -12.968 64.009 48.609 1.00 0.00 ATOM 447 C VAL A 62 -13.129 64.512 49.727 1.00 0.00 ATOM 448 N HIS A 63 -13.963 64.011 50.634 1.00 0.00 ATOM 449 CA HIS A 63 -14.823 62.863 50.477 1.00 0.00 ATOM 450 CB HIS A 63 -14.950 62.119 51.805 1.00 0.00 ATOM 451 CG HIS A 63 -15.111 60.636 51.706 1.00 0.00 ATOM 452 CD2 HIS A 63 -15.869 59.767 52.409 1.00 0.00 ATOM 453 ND1 HIS A 63 -14.430 59.861 50.805 1.00 0.00 ATOM 454 CE1 HIS A 63 -14.751 58.592 50.938 1.00 0.00 ATOM 455 NE2 HIS A 63 -15.636 58.503 51.917 1.00 0.00 ATOM 456 O HIS A 63 -17.100 63.636 50.778 1.00 0.00 ATOM 457 C HIS A 63 -16.208 63.301 49.999 1.00 0.00 ATOM 458 N LEU A 64 -16.403 63.348 48.671 1.00 0.00 ATOM 459 CA LEU A 64 -17.714 63.750 48.157 1.00 0.00 ATOM 460 CB LEU A 64 -17.629 64.039 46.658 1.00 0.00 ATOM 461 CG LEU A 64 -16.649 65.125 46.210 1.00 0.00 ATOM 462 CD1 LEU A 64 -16.564 65.042 44.683 1.00 0.00 ATOM 463 CD2 LEU A 64 -17.053 66.508 46.663 1.00 0.00 ATOM 464 O LEU A 64 -18.384 61.496 48.483 1.00 0.00 ATOM 465 C LEU A 64 -18.755 62.665 48.403 1.00 0.00 ATOM 466 N THR A 65 -20.032 63.026 48.517 1.00 0.00 ATOM 467 CA THR A 65 -21.104 62.082 48.726 1.00 0.00 ATOM 468 CB THR A 65 -21.349 61.841 50.245 1.00 0.00 ATOM 469 CG2 THR A 65 -21.925 63.084 50.871 1.00 0.00 ATOM 470 OG1 THR A 65 -22.273 60.762 50.411 1.00 0.00 ATOM 471 O THR A 65 -22.756 63.672 47.898 1.00 0.00 ATOM 472 C THR A 65 -22.433 62.496 48.090 1.00 0.00 ATOM 473 N LEU A 66 -23.189 61.459 47.761 1.00 0.00 ATOM 474 CA LEU A 66 -24.565 61.546 47.344 1.00 0.00 ATOM 475 CB LEU A 66 -24.720 61.155 45.865 1.00 0.00 ATOM 476 CG LEU A 66 -24.116 62.134 44.859 1.00 0.00 ATOM 477 CD1 LEU A 66 -24.224 61.595 43.437 1.00 0.00 ATOM 478 CD2 LEU A 66 -24.774 63.500 44.948 1.00 0.00 ATOM 479 O LEU A 66 -26.661 60.577 47.945 1.00 0.00 ATOM 480 C LEU A 66 -25.459 60.625 48.171 1.00 0.00 ATOM 481 N THR A 67 -24.879 59.887 49.125 1.00 0.00 ATOM 482 CA THR A 67 -25.605 58.777 49.737 1.00 0.00 ATOM 483 CB THR A 67 -25.175 57.439 49.081 1.00 0.00 ATOM 484 CG2 THR A 67 -25.311 57.450 47.569 1.00 0.00 ATOM 485 OG1 THR A 67 -23.779 57.242 49.343 1.00 0.00 ATOM 486 O THR A 67 -25.655 57.636 51.840 1.00 0.00 ATOM 487 C THR A 67 -25.352 58.663 51.237 1.00 0.00 ATOM 488 N LEU A 68 -24.778 59.691 51.857 1.00 0.00 ATOM 489 CA LEU A 68 -24.421 59.597 53.275 1.00 0.00 ATOM 490 CB LEU A 68 -23.602 60.776 53.744 1.00 0.00 ATOM 491 CG LEU A 68 -23.077 60.832 55.178 1.00 0.00 ATOM 492 CD1 LEU A 68 -22.009 59.785 55.432 1.00 0.00 ATOM 493 CD2 LEU A 68 -22.501 62.211 55.486 1.00 0.00 ATOM 494 O LEU A 68 -26.585 60.304 54.107 1.00 0.00 ATOM 495 C LEU A 68 -25.702 59.448 54.103 1.00 0.00 ATOM 496 N ASN A 69 -25.761 58.319 54.797 1.00 0.00 ATOM 497 CA ASN A 69 -26.875 58.006 55.663 1.00 0.00 ATOM 498 CB ASN A 69 -26.636 56.652 56.327 1.00 0.00 ATOM 499 CG ASN A 69 -27.783 56.171 57.180 1.00 0.00 ATOM 500 ND2 ASN A 69 -29.009 56.056 56.689 1.00 0.00 ATOM 501 OD1 ASN A 69 -27.514 55.886 58.347 1.00 0.00 ATOM 502 O ASN A 69 -26.141 59.586 57.301 1.00 0.00 ATOM 503 C ASN A 69 -27.080 59.138 56.665 1.00 0.00 ATOM 504 N GLN A 70 -28.311 59.600 56.752 1.00 0.00 ATOM 505 CA GLN A 70 -28.849 60.512 57.736 1.00 0.00 ATOM 506 CB GLN A 70 -28.610 59.947 59.141 1.00 0.00 ATOM 507 CG GLN A 70 -29.493 58.716 59.407 1.00 0.00 ATOM 508 CD GLN A 70 -29.068 58.063 60.717 1.00 0.00 ATOM 509 OE1 GLN A 70 -28.691 56.884 60.723 1.00 0.00 ATOM 510 NE2 GLN A 70 -29.087 58.859 61.766 1.00 0.00 ATOM 511 O GLN A 70 -28.282 62.715 58.554 1.00 0.00 ATOM 512 C GLN A 70 -28.283 61.913 57.618 1.00 0.00 ATOM 513 N ALA A 71 -27.814 62.232 56.411 1.00 0.00 ATOM 514 CA ALA A 71 -27.318 63.581 56.176 1.00 0.00 ATOM 515 CB ALA A 71 -25.830 63.557 55.926 1.00 0.00 ATOM 516 O ALA A 71 -28.698 63.504 54.202 1.00 0.00 ATOM 517 C ALA A 71 -28.046 64.202 54.982 1.00 0.00 ATOM 518 N LYS A 72 -27.917 65.499 54.888 1.00 0.00 ATOM 519 CA LYS A 72 -28.509 66.305 53.837 1.00 0.00 ATOM 520 CB LYS A 72 -29.328 67.442 54.428 1.00 0.00 ATOM 521 CG LYS A 72 -30.404 67.025 55.417 1.00 0.00 ATOM 522 CD LYS A 72 -31.260 68.207 55.839 1.00 0.00 ATOM 523 CE LYS A 72 -32.636 67.745 56.271 1.00 0.00 ATOM 524 NZ LYS A 72 -33.541 68.863 56.606 1.00 0.00 ATOM 525 O LYS A 72 -26.267 67.069 53.426 1.00 0.00 ATOM 526 C LYS A 72 -27.393 66.895 52.976 1.00 0.00 ATOM 527 N PRO A 73 -27.691 67.245 51.734 1.00 0.00 ATOM 528 CA PRO A 73 -26.702 67.988 50.947 1.00 0.00 ATOM 529 CB PRO A 73 -27.363 68.152 49.581 1.00 0.00 ATOM 530 CG PRO A 73 -28.714 67.550 49.662 1.00 0.00 ATOM 531 CD PRO A 73 -28.932 66.969 51.019 1.00 0.00 ATOM 532 O PRO A 73 -27.176 69.906 52.336 1.00 0.00 ATOM 533 C PRO A 73 -26.417 69.355 51.542 1.00 0.00 ATOM 534 N ILE A 74 -25.301 69.927 51.099 1.00 0.00 ATOM 535 CA ILE A 74 -24.923 71.299 51.406 1.00 0.00 ATOM 536 CB ILE A 74 -23.536 71.593 50.807 1.00 0.00 ATOM 537 CG1 ILE A 74 -22.401 70.680 51.327 1.00 0.00 ATOM 538 CG2 ILE A 74 -23.152 73.036 51.008 1.00 0.00 ATOM 539 CD1 ILE A 74 -22.282 70.841 52.837 1.00 0.00 ATOM 540 O ILE A 74 -26.365 73.264 51.540 1.00 0.00 ATOM 541 C ILE A 74 -25.933 72.309 50.884 1.00 0.00 ATOM 542 N LEU A 75 -26.359 72.137 49.620 1.00 0.00 ATOM 543 CA LEU A 75 -27.288 73.063 48.998 1.00 0.00 ATOM 544 CB LEU A 75 -27.174 72.974 47.469 1.00 0.00 ATOM 545 CG LEU A 75 -25.817 73.382 46.884 1.00 0.00 ATOM 546 CD1 LEU A 75 -25.760 73.111 45.387 1.00 0.00 ATOM 547 CD2 LEU A 75 -25.535 74.849 47.182 1.00 0.00 ATOM 548 O LEU A 75 -29.082 71.640 49.696 1.00 0.00 ATOM 549 C LEU A 75 -28.725 72.787 49.432 1.00 0.00 ATOM 550 N PRO A 76 -29.527 73.834 49.525 1.00 0.00 ATOM 551 CA PRO A 76 -30.931 73.628 49.959 1.00 0.00 ATOM 552 CB PRO A 76 -31.531 75.019 49.965 1.00 0.00 ATOM 553 CG PRO A 76 -30.409 75.986 49.833 1.00 0.00 ATOM 554 CD PRO A 76 -29.237 75.251 49.267 1.00 0.00 ATOM 555 O PRO A 76 -31.286 72.633 47.778 1.00 0.00 ATOM 556 C PRO A 76 -31.623 72.703 48.960 1.00 0.00 ATOM 557 N ARG A 77 -32.572 71.961 49.489 1.00 0.00 ATOM 558 CA ARG A 77 -33.277 70.931 48.749 1.00 0.00 ATOM 559 CB ARG A 77 -34.386 70.295 49.594 1.00 0.00 ATOM 560 CG ARG A 77 -35.331 71.226 50.317 1.00 0.00 ATOM 561 CD ARG A 77 -36.294 70.481 51.234 1.00 0.00 ATOM 562 NE ARG A 77 -36.982 69.376 50.575 1.00 0.00 ATOM 563 CZ ARG A 77 -37.622 68.400 51.210 1.00 0.00 ATOM 564 NH1 ARG A 77 -37.673 68.381 52.537 1.00 0.00 ATOM 565 NH2 ARG A 77 -38.218 67.430 50.529 1.00 0.00 ATOM 566 O ARG A 77 -33.923 70.817 46.433 1.00 0.00 ATOM 567 C ARG A 77 -33.884 71.481 47.463 1.00 0.00 ATOM 568 N GLU A 78 -34.388 72.704 47.516 1.00 0.00 ATOM 569 CA GLU A 78 -35.016 73.332 46.359 1.00 0.00 ATOM 570 CB GLU A 78 -35.512 74.728 46.758 1.00 0.00 ATOM 571 CG GLU A 78 -36.653 74.752 47.752 1.00 0.00 ATOM 572 CD GLU A 78 -36.235 74.520 49.187 1.00 0.00 ATOM 573 OE1 GLU A 78 -35.031 74.674 49.483 1.00 0.00 ATOM 574 OE2 GLU A 78 -37.113 74.177 50.013 1.00 0.00 ATOM 575 O GLU A 78 -34.434 73.428 44.010 1.00 0.00 ATOM 576 C GLU A 78 -34.057 73.426 45.184 1.00 0.00 ATOM 577 N MET A 79 -32.763 73.508 45.490 1.00 0.00 ATOM 578 CA MET A 79 -31.773 73.644 44.433 1.00 0.00 ATOM 579 CB MET A 79 -30.556 74.472 44.876 1.00 0.00 ATOM 580 CG MET A 79 -30.814 75.898 45.310 1.00 0.00 ATOM 581 SD MET A 79 -29.337 76.873 45.751 1.00 0.00 ATOM 582 CE MET A 79 -28.105 76.180 44.651 1.00 0.00 ATOM 583 O MET A 79 -30.837 72.238 42.790 1.00 0.00 ATOM 584 C MET A 79 -31.308 72.285 43.931 1.00 0.00 ATOM 585 N VAL A 80 -31.406 71.227 44.729 1.00 0.00 ATOM 586 CA VAL A 80 -30.938 69.891 44.351 1.00 0.00 ATOM 587 CB VAL A 80 -29.632 69.565 45.114 1.00 0.00 ATOM 588 CG1 VAL A 80 -28.473 70.353 44.515 1.00 0.00 ATOM 589 CG2 VAL A 80 -29.790 69.880 46.596 1.00 0.00 ATOM 590 O VAL A 80 -31.738 67.749 45.177 1.00 0.00 ATOM 591 C VAL A 80 -31.960 68.799 44.588 1.00 0.00 ATOM 592 N PRO A 81 -33.166 69.005 44.057 1.00 0.00 ATOM 593 CA PRO A 81 -34.304 68.198 44.479 1.00 0.00 ATOM 594 CB PRO A 81 -35.476 68.849 43.732 1.00 0.00 ATOM 595 CG PRO A 81 -34.890 69.590 42.584 1.00 0.00 ATOM 596 CD PRO A 81 -33.505 69.983 43.003 1.00 0.00 ATOM 597 O PRO A 81 -34.788 65.867 44.695 1.00 0.00 ATOM 598 C PRO A 81 -34.173 66.736 44.082 1.00 0.00 ATOM 599 N SER A 82 -33.376 66.468 43.043 1.00 0.00 ATOM 600 CA SER A 82 -33.212 65.099 42.574 1.00 0.00 ATOM 601 CB SER A 82 -32.565 65.119 41.178 1.00 0.00 ATOM 602 OG SER A 82 -31.161 65.368 41.302 1.00 0.00 ATOM 603 O SER A 82 -32.184 63.062 43.377 1.00 0.00 ATOM 604 C SER A 82 -32.329 64.272 43.495 1.00 0.00 ATOM 605 N LEU A 83 -31.674 64.964 44.434 1.00 0.00 ATOM 606 CA LEU A 83 -30.674 64.296 45.250 1.00 0.00 ATOM 607 CB LEU A 83 -29.523 65.248 45.547 1.00 0.00 ATOM 608 CG LEU A 83 -28.767 65.863 44.374 1.00 0.00 ATOM 609 CD1 LEU A 83 -27.433 66.430 44.863 1.00 0.00 ATOM 610 CD2 LEU A 83 -28.524 64.867 43.246 1.00 0.00 ATOM 611 O LEU A 83 -30.563 63.023 47.245 1.00 0.00 ATOM 612 C LEU A 83 -31.264 63.789 46.566 1.00 0.00 ATOM 613 N VAL A 84 -32.482 64.203 46.891 1.00 0.00 ATOM 614 CA VAL A 84 -32.992 63.902 48.230 1.00 0.00 ATOM 615 CB VAL A 84 -33.194 65.238 48.977 1.00 0.00 ATOM 616 CG1 VAL A 84 -31.884 66.025 48.920 1.00 0.00 ATOM 617 CG2 VAL A 84 -34.348 66.030 48.403 1.00 0.00 ATOM 618 O VAL A 84 -35.160 63.196 47.469 1.00 0.00 ATOM 619 C VAL A 84 -34.297 63.145 48.337 1.00 0.00 ATOM 620 N ASP A 85 -34.452 62.444 49.461 1.00 0.00 ATOM 621 CA ASP A 85 -35.734 61.781 49.726 1.00 0.00 ATOM 622 CB ASP A 85 -35.540 60.661 50.744 1.00 0.00 ATOM 623 CG ASP A 85 -35.189 61.107 52.154 1.00 0.00 ATOM 624 OD1 ASP A 85 -35.363 62.276 52.507 1.00 0.00 ATOM 625 OD2 ASP A 85 -34.740 60.229 52.937 1.00 0.00 ATOM 626 O ASP A 85 -36.561 64.015 50.178 1.00 0.00 ATOM 627 C ASP A 85 -36.769 62.801 50.162 1.00 0.00 ATOM 628 N GLU A 86 -37.952 62.325 50.559 1.00 0.00 ATOM 629 CA GLU A 86 -39.029 63.234 50.913 1.00 0.00 ATOM 630 CB GLU A 86 -40.274 62.408 51.301 1.00 0.00 ATOM 631 CG GLU A 86 -40.226 61.966 52.767 1.00 0.00 ATOM 632 CD GLU A 86 -41.372 61.037 53.116 1.00 0.00 ATOM 633 OE1 GLU A 86 -42.507 61.337 52.692 1.00 0.00 ATOM 634 OE2 GLU A 86 -41.145 60.017 53.799 1.00 0.00 ATOM 635 O GLU A 86 -39.295 65.277 52.121 1.00 0.00 ATOM 636 C GLU A 86 -38.705 64.184 52.051 1.00 0.00 ATOM 637 N ALA A 87 -37.785 63.797 52.946 1.00 0.00 ATOM 638 CA ALA A 87 -37.483 64.694 54.070 1.00 0.00 ATOM 639 CB ALA A 87 -37.440 63.922 55.387 1.00 0.00 ATOM 640 O ALA A 87 -35.720 66.197 54.727 1.00 0.00 ATOM 641 C ALA A 87 -36.191 65.469 53.843 1.00 0.00 ATOM 642 N GLY A 88 -35.587 65.333 52.655 1.00 0.00 ATOM 643 CA GLY A 88 -34.437 66.184 52.339 1.00 0.00 ATOM 644 O GLY A 88 -32.079 66.179 52.418 1.00 0.00 ATOM 645 C GLY A 88 -33.094 65.520 52.575 1.00 0.00 ATOM 646 N TYR A 89 -33.071 64.241 52.932 1.00 0.00 ATOM 647 CA TYR A 89 -31.831 63.515 53.152 1.00 0.00 ATOM 648 CB TYR A 89 -32.015 62.459 54.265 1.00 0.00 ATOM 649 CG TYR A 89 -32.367 63.173 55.562 1.00 0.00 ATOM 650 CD1 TYR A 89 -33.668 63.589 55.792 1.00 0.00 ATOM 651 CD2 TYR A 89 -31.392 63.444 56.517 1.00 0.00 ATOM 652 CE1 TYR A 89 -34.026 64.247 56.949 1.00 0.00 ATOM 653 CE2 TYR A 89 -31.743 64.106 57.678 1.00 0.00 ATOM 654 CZ TYR A 89 -33.042 64.499 57.887 1.00 0.00 ATOM 655 OH TYR A 89 -33.402 65.163 59.041 1.00 0.00 ATOM 656 O TYR A 89 -32.172 62.523 51.002 1.00 0.00 ATOM 657 C TYR A 89 -31.358 62.839 51.869 1.00 0.00 ATOM 658 N PHE A 90 -30.061 62.595 51.743 1.00 0.00 ATOM 659 CA PHE A 90 -29.546 61.909 50.568 1.00 0.00 ATOM 660 CB PHE A 90 -28.046 61.638 50.696 1.00 0.00 ATOM 661 CG PHE A 90 -27.129 62.825 50.506 1.00 0.00 ATOM 662 CD1 PHE A 90 -27.031 63.466 49.284 1.00 0.00 ATOM 663 CD2 PHE A 90 -26.349 63.297 51.555 1.00 0.00 ATOM 664 CE1 PHE A 90 -26.174 64.536 49.078 1.00 0.00 ATOM 665 CE2 PHE A 90 -25.490 64.358 51.356 1.00 0.00 ATOM 666 CZ PHE A 90 -25.382 64.980 50.130 1.00 0.00 ATOM 667 O PHE A 90 -30.466 59.867 51.347 1.00 0.00 ATOM 668 C PHE A 90 -30.240 60.559 50.365 1.00 0.00 ATOM 669 N TRP A 91 -30.540 60.191 49.132 1.00 0.00 ATOM 670 CA TRP A 91 -30.997 58.875 48.732 1.00 0.00 ATOM 671 CB TRP A 91 -31.118 58.804 47.204 1.00 0.00 ATOM 672 CG TRP A 91 -32.269 59.525 46.593 1.00 0.00 ATOM 673 CD1 TRP A 91 -32.264 60.542 45.687 1.00 0.00 ATOM 674 CD2 TRP A 91 -33.653 59.253 46.867 1.00 0.00 ATOM 675 CE2 TRP A 91 -34.424 60.144 46.097 1.00 0.00 ATOM 676 CE3 TRP A 91 -34.284 58.334 47.703 1.00 0.00 ATOM 677 NE1 TRP A 91 -33.553 60.923 45.382 1.00 0.00 ATOM 678 CZ2 TRP A 91 -35.821 60.140 46.135 1.00 0.00 ATOM 679 CZ3 TRP A 91 -35.665 58.332 47.740 1.00 0.00 ATOM 680 CH2 TRP A 91 -36.412 59.226 46.964 1.00 0.00 ATOM 681 O TRP A 91 -28.819 57.986 49.170 1.00 0.00 ATOM 682 C TRP A 91 -30.035 57.776 49.170 1.00 0.00 ATOM 683 N HIS A 92 -30.547 56.601 49.518 1.00 0.00 ATOM 684 CA HIS A 92 -29.742 55.437 49.867 1.00 0.00 ATOM 685 CB HIS A 92 -30.643 54.293 50.361 1.00 0.00 ATOM 686 CG HIS A 92 -29.907 53.216 51.093 1.00 0.00 ATOM 687 CD2 HIS A 92 -29.368 53.160 52.334 1.00 0.00 ATOM 688 ND1 HIS A 92 -29.644 51.981 50.563 1.00 0.00 ATOM 689 CE1 HIS A 92 -28.977 51.204 51.390 1.00 0.00 ATOM 690 NE2 HIS A 92 -28.800 51.911 52.493 1.00 0.00 ATOM 691 O HIS A 92 -29.423 55.084 47.536 1.00 0.00 ATOM 692 C HIS A 92 -28.934 54.957 48.670 1.00 0.00 ATOM 693 N GLN A 93 -27.735 54.433 48.878 1.00 0.00 ATOM 694 CA GLN A 93 -26.876 54.060 47.753 1.00 0.00 ATOM 695 CB GLN A 93 -25.527 53.483 48.182 1.00 0.00 ATOM 696 CG GLN A 93 -25.558 52.042 48.661 1.00 0.00 ATOM 697 O GLN A 93 -27.379 53.090 45.609 1.00 0.00 ATOM 698 C GLN A 93 -27.585 53.077 46.824 1.00 0.00 ATOM 699 N SER A 94 -28.421 52.227 47.404 1.00 0.00 ATOM 700 CA SER A 94 -29.130 51.209 46.646 1.00 0.00 ATOM 701 CB SER A 94 -30.010 50.316 47.526 1.00 0.00 ATOM 702 OG SER A 94 -31.280 50.957 47.692 1.00 0.00 ATOM 703 O SER A 94 -30.303 51.225 44.561 1.00 0.00 ATOM 704 C SER A 94 -30.031 51.845 45.592 1.00 0.00 ATOM 705 N ILE A 95 -30.507 53.073 45.827 1.00 0.00 ATOM 706 CA ILE A 95 -31.448 53.599 44.832 1.00 0.00 ATOM 707 CB ILE A 95 -32.860 53.673 45.458 1.00 0.00 ATOM 708 CG1 ILE A 95 -32.899 54.353 46.826 1.00 0.00 ATOM 709 CG2 ILE A 95 -33.483 52.279 45.510 1.00 0.00 ATOM 710 CD1 ILE A 95 -34.078 55.277 47.026 1.00 0.00 ATOM 711 O ILE A 95 -31.876 55.482 43.459 1.00 0.00 ATOM 712 C ILE A 95 -31.080 54.945 44.242 1.00 0.00 ATOM 713 N PHE A 96 -29.919 55.515 44.573 1.00 0.00 ATOM 714 CA PHE A 96 -29.617 56.879 44.167 1.00 0.00 ATOM 715 CB PHE A 96 -28.407 57.423 44.942 1.00 0.00 ATOM 716 CG PHE A 96 -27.057 57.125 44.314 1.00 0.00 ATOM 717 CD1 PHE A 96 -26.438 55.904 44.503 1.00 0.00 ATOM 718 CD2 PHE A 96 -26.433 58.079 43.528 1.00 0.00 ATOM 719 CE1 PHE A 96 -25.214 55.635 43.936 1.00 0.00 ATOM 720 CE2 PHE A 96 -25.199 57.825 42.962 1.00 0.00 ATOM 721 CZ PHE A 96 -24.584 56.601 43.176 1.00 0.00 ATOM 722 O PHE A 96 -29.692 58.076 42.112 1.00 0.00 ATOM 723 C PHE A 96 -29.332 57.028 42.670 1.00 0.00 ATOM 724 N GLU A 97 -28.701 56.020 42.085 1.00 0.00 ATOM 725 CA GLU A 97 -28.164 56.166 40.728 1.00 0.00 ATOM 726 CB GLU A 97 -27.499 54.871 40.275 1.00 0.00 ATOM 727 CG GLU A 97 -26.713 55.058 38.993 1.00 0.00 ATOM 728 CD GLU A 97 -26.180 53.782 38.396 1.00 0.00 ATOM 729 OE1 GLU A 97 -26.547 52.675 38.847 1.00 0.00 ATOM 730 OE2 GLU A 97 -25.378 53.903 37.443 1.00 0.00 ATOM 731 O GLU A 97 -28.986 57.388 38.841 1.00 0.00 ATOM 732 C GLU A 97 -29.248 56.595 39.741 1.00 0.00 ATOM 733 N GLU A 98 -30.437 56.059 39.941 1.00 0.00 ATOM 734 CA GLU A 98 -31.614 56.253 39.114 1.00 0.00 ATOM 735 CB GLU A 98 -32.638 55.137 39.401 1.00 0.00 ATOM 736 O GLU A 98 -33.015 58.123 38.500 1.00 0.00 ATOM 737 C GLU A 98 -32.276 57.601 39.334 1.00 0.00 ATOM 738 N LYS A 99 -32.035 58.219 40.494 1.00 0.00 ATOM 739 CA LYS A 99 -32.792 59.439 40.767 1.00 0.00 ATOM 740 CB LYS A 99 -33.107 59.490 42.264 1.00 0.00 ATOM 741 CG LYS A 99 -33.840 58.250 42.761 1.00 0.00 ATOM 742 CD LYS A 99 -35.260 58.633 43.144 1.00 0.00 ATOM 743 CE LYS A 99 -36.150 57.400 43.258 1.00 0.00 ATOM 744 NZ LYS A 99 -37.566 57.810 43.022 1.00 0.00 ATOM 745 O LYS A 99 -32.626 61.680 39.930 1.00 0.00 ATOM 746 C LYS A 99 -32.044 60.692 40.369 1.00 0.00 ATOM 747 N VAL A 100 -30.727 60.686 40.548 1.00 0.00 ATOM 748 CA VAL A 100 -30.036 61.962 40.538 1.00 0.00 ATOM 749 CB VAL A 100 -28.652 61.863 41.219 1.00 0.00 ATOM 750 CG1 VAL A 100 -28.789 61.431 42.673 1.00 0.00 ATOM 751 CG2 VAL A 100 -27.763 60.890 40.468 1.00 0.00 ATOM 752 O VAL A 100 -29.675 61.767 38.178 1.00 0.00 ATOM 753 C VAL A 100 -29.857 62.527 39.126 1.00 0.00 ATOM 754 N ASN A 101 -29.912 63.838 39.047 1.00 0.00 ATOM 755 CA ASN A 101 -29.678 64.705 37.911 1.00 0.00 ATOM 756 CB ASN A 101 -30.681 65.859 37.960 1.00 0.00 ATOM 757 CG ASN A 101 -30.367 66.995 37.007 1.00 0.00 ATOM 758 ND2 ASN A 101 -31.086 67.075 35.890 1.00 0.00 ATOM 759 OD1 ASN A 101 -29.483 67.807 37.273 1.00 0.00 ATOM 760 O ASN A 101 -27.766 65.809 38.874 1.00 0.00 ATOM 761 C ASN A 101 -28.246 65.225 37.913 1.00 0.00 ATOM 762 N LEU A 102 -27.516 65.036 36.817 1.00 0.00 ATOM 763 CA LEU A 102 -26.085 65.260 36.802 1.00 0.00 ATOM 764 CB LEU A 102 -25.501 64.824 35.446 1.00 0.00 ATOM 765 CG LEU A 102 -25.416 63.307 35.283 1.00 0.00 ATOM 766 CD1 LEU A 102 -25.166 62.948 33.824 1.00 0.00 ATOM 767 CD2 LEU A 102 -24.341 62.723 36.186 1.00 0.00 ATOM 768 O LEU A 102 -24.640 66.905 37.695 1.00 0.00 ATOM 769 C LEU A 102 -25.684 66.695 37.085 1.00 0.00 ATOM 770 N GLU A 103 -26.487 67.651 36.651 1.00 0.00 ATOM 771 CA GLU A 103 -26.214 69.056 36.872 1.00 0.00 ATOM 772 CB GLU A 103 -27.157 69.971 36.087 1.00 0.00 ATOM 773 O GLU A 103 -25.496 70.155 38.867 1.00 0.00 ATOM 774 C GLU A 103 -26.318 69.385 38.368 1.00 0.00 ATOM 775 N GLU A 104 -27.324 68.796 39.005 1.00 0.00 ATOM 776 CA GLU A 104 -27.474 68.964 40.451 1.00 0.00 ATOM 777 CB GLU A 104 -28.798 68.397 40.934 1.00 0.00 ATOM 778 CG GLU A 104 -29.998 69.167 40.410 1.00 0.00 ATOM 779 CD GLU A 104 -31.322 68.598 40.840 1.00 0.00 ATOM 780 OE1 GLU A 104 -31.356 67.634 41.631 1.00 0.00 ATOM 781 OE2 GLU A 104 -32.353 69.122 40.372 1.00 0.00 ATOM 782 O GLU A 104 -25.815 68.886 42.142 1.00 0.00 ATOM 783 C GLU A 104 -26.296 68.308 41.173 1.00 0.00 ATOM 784 N VAL A 105 -25.861 67.148 40.700 1.00 0.00 ATOM 785 CA VAL A 105 -24.713 66.470 41.308 1.00 0.00 ATOM 786 CB VAL A 105 -24.451 65.099 40.681 1.00 0.00 ATOM 787 CG1 VAL A 105 -23.263 64.402 41.357 1.00 0.00 ATOM 788 CG2 VAL A 105 -25.688 64.215 40.780 1.00 0.00 ATOM 789 O VAL A 105 -22.703 67.554 42.127 1.00 0.00 ATOM 790 C VAL A 105 -23.484 67.367 41.198 1.00 0.00 ATOM 791 N TYR A 106 -23.299 67.948 40.028 1.00 0.00 ATOM 792 CA TYR A 106 -22.209 68.900 39.836 1.00 0.00 ATOM 793 CB TYR A 106 -22.203 69.478 38.417 1.00 0.00 ATOM 794 CG TYR A 106 -21.040 70.394 38.095 1.00 0.00 ATOM 795 CD1 TYR A 106 -21.109 71.728 38.332 1.00 0.00 ATOM 796 CD2 TYR A 106 -19.900 69.910 37.522 1.00 0.00 ATOM 797 CE1 TYR A 106 -20.068 72.546 38.053 1.00 0.00 ATOM 798 CE2 TYR A 106 -18.873 70.710 37.218 1.00 0.00 ATOM 799 CZ TYR A 106 -18.944 72.032 37.491 1.00 0.00 ATOM 800 OH TYR A 106 -17.905 72.839 37.170 1.00 0.00 ATOM 801 O TYR A 106 -21.297 70.312 41.506 1.00 0.00 ATOM 802 C TYR A 106 -22.240 70.045 40.856 1.00 0.00 ATOM 803 N ASN A 107 -23.366 70.696 40.974 1.00 0.00 ATOM 804 CA ASN A 107 -23.518 71.848 41.852 1.00 0.00 ATOM 805 CB ASN A 107 -24.895 72.491 41.697 1.00 0.00 ATOM 806 CG ASN A 107 -25.078 73.072 40.301 1.00 0.00 ATOM 807 ND2 ASN A 107 -26.299 73.067 39.785 1.00 0.00 ATOM 808 OD1 ASN A 107 -24.094 73.523 39.700 1.00 0.00 ATOM 809 O ASN A 107 -22.629 72.157 44.072 1.00 0.00 ATOM 810 C ASN A 107 -23.294 71.460 43.311 1.00 0.00 ATOM 811 N GLU A 108 -23.899 70.333 43.676 1.00 0.00 ATOM 812 CA GLU A 108 -23.756 69.894 45.070 1.00 0.00 ATOM 813 CB GLU A 108 -24.699 68.722 45.357 1.00 0.00 ATOM 814 CG GLU A 108 -24.430 68.029 46.688 1.00 0.00 ATOM 815 CD GLU A 108 -24.632 68.910 47.899 1.00 0.00 ATOM 816 OE1 GLU A 108 -25.357 69.921 47.800 1.00 0.00 ATOM 817 OE2 GLU A 108 -24.098 68.563 48.984 1.00 0.00 ATOM 818 O GLU A 108 -21.767 69.918 46.420 1.00 0.00 ATOM 819 C GLU A 108 -22.308 69.527 45.375 1.00 0.00 ATOM 820 N TRP A 109 -21.654 68.777 44.484 1.00 0.00 ATOM 821 CA TRP A 109 -20.255 68.417 44.773 1.00 0.00 ATOM 822 CB TRP A 109 -19.808 67.336 43.787 1.00 0.00 ATOM 823 CG TRP A 109 -20.300 65.965 44.155 1.00 0.00 ATOM 824 CD1 TRP A 109 -21.015 65.575 45.256 1.00 0.00 ATOM 825 CD2 TRP A 109 -20.086 64.778 43.379 1.00 0.00 ATOM 826 CE2 TRP A 109 -20.697 63.699 44.057 1.00 0.00 ATOM 827 CE3 TRP A 109 -19.439 64.531 42.172 1.00 0.00 ATOM 828 NE1 TRP A 109 -21.251 64.219 45.196 1.00 0.00 ATOM 829 CZ2 TRP A 109 -20.661 62.403 43.544 1.00 0.00 ATOM 830 CZ3 TRP A 109 -19.410 63.239 41.670 1.00 0.00 ATOM 831 CH2 TRP A 109 -20.017 62.179 42.346 1.00 0.00 ATOM 832 O TRP A 109 -18.431 69.786 45.572 1.00 0.00 ATOM 833 C TRP A 109 -19.368 69.644 44.774 1.00 0.00 ATOM 834 N ASP A 110 -19.648 70.599 43.880 1.00 0.00 ATOM 835 CA ASP A 110 -18.904 71.854 43.889 1.00 0.00 ATOM 836 CB ASP A 110 -19.400 72.733 42.753 1.00 0.00 ATOM 837 CG ASP A 110 -18.817 74.129 42.691 1.00 0.00 ATOM 838 OD1 ASP A 110 -17.620 74.283 42.338 1.00 0.00 ATOM 839 OD2 ASP A 110 -19.552 75.089 42.984 1.00 0.00 ATOM 840 O ASP A 110 -18.151 73.013 45.881 1.00 0.00 ATOM 841 C ASP A 110 -19.087 72.523 45.249 1.00 0.00 ATOM 842 N ALA A 111 -20.317 72.553 45.726 1.00 0.00 ATOM 843 CA ALA A 111 -20.637 73.082 47.048 1.00 0.00 ATOM 844 CB ALA A 111 -22.136 72.972 47.264 1.00 0.00 ATOM 845 O ALA A 111 -19.437 72.945 49.122 1.00 0.00 ATOM 846 C ALA A 111 -19.878 72.337 48.146 1.00 0.00 ATOM 847 N GLN A 112 -19.716 71.023 47.994 1.00 0.00 ATOM 848 CA GLN A 112 -19.020 70.245 49.018 1.00 0.00 ATOM 849 CB GLN A 112 -19.198 68.740 48.772 1.00 0.00 ATOM 850 CG GLN A 112 -20.575 68.277 49.262 1.00 0.00 ATOM 851 CD GLN A 112 -20.880 66.833 48.916 1.00 0.00 ATOM 852 OE1 GLN A 112 -20.027 65.939 48.874 1.00 0.00 ATOM 853 NE2 GLN A 112 -22.157 66.549 48.663 1.00 0.00 ATOM 854 O GLN A 112 -16.869 70.575 50.083 1.00 0.00 ATOM 855 C GLN A 112 -17.551 70.604 49.063 1.00 0.00 ATOM 856 N ILE A 113 -17.025 70.972 47.898 1.00 0.00 ATOM 857 CA ILE A 113 -15.602 71.313 47.842 1.00 0.00 ATOM 858 CB ILE A 113 -15.069 71.283 46.398 1.00 0.00 ATOM 859 CG1 ILE A 113 -14.990 69.861 45.854 1.00 0.00 ATOM 860 CG2 ILE A 113 -13.746 72.019 46.303 1.00 0.00 ATOM 861 CD1 ILE A 113 -14.779 69.776 44.353 1.00 0.00 ATOM 862 O ILE A 113 -14.473 72.856 49.263 1.00 0.00 ATOM 863 C ILE A 113 -15.398 72.669 48.476 1.00 0.00 ATOM 864 N ILE A 114 -16.281 73.613 48.145 1.00 0.00 ATOM 865 CA ILE A 114 -16.193 74.940 48.762 1.00 0.00 ATOM 866 CB ILE A 114 -17.245 75.874 48.167 1.00 0.00 ATOM 867 CG1 ILE A 114 -16.823 76.283 46.732 1.00 0.00 ATOM 868 CG2 ILE A 114 -17.536 77.081 49.006 1.00 0.00 ATOM 869 CD1 ILE A 114 -17.871 75.792 45.774 1.00 0.00 ATOM 870 O ILE A 114 -15.681 75.567 51.021 1.00 0.00 ATOM 871 C ILE A 114 -16.353 74.856 50.279 1.00 0.00 ATOM 872 N SER A 115 -17.224 73.961 50.716 1.00 0.00 ATOM 873 CA SER A 115 -17.479 73.738 52.128 1.00 0.00 ATOM 874 CB SER A 115 -18.652 72.804 52.354 1.00 0.00 ATOM 875 OG SER A 115 -19.841 73.386 51.851 1.00 0.00 ATOM 876 O SER A 115 -15.908 73.681 53.891 1.00 0.00 ATOM 877 C SER A 115 -16.215 73.197 52.810 1.00 0.00 ATOM 878 N PHE A 116 -15.531 72.244 52.196 1.00 0.00 ATOM 879 CA PHE A 116 -14.255 71.789 52.730 1.00 0.00 ATOM 880 CB PHE A 116 -13.557 70.835 51.763 1.00 0.00 ATOM 881 CG PHE A 116 -12.254 70.206 52.212 1.00 0.00 ATOM 882 CD1 PHE A 116 -11.027 70.820 52.217 1.00 0.00 ATOM 883 CD2 PHE A 116 -12.295 68.894 52.680 1.00 0.00 ATOM 884 CE1 PHE A 116 -9.863 70.237 52.683 1.00 0.00 ATOM 885 CE2 PHE A 116 -11.151 68.272 53.141 1.00 0.00 ATOM 886 CZ PHE A 116 -9.940 68.932 53.149 1.00 0.00 ATOM 887 O PHE A 116 -12.692 73.045 54.051 1.00 0.00 ATOM 888 C PHE A 116 -13.349 72.986 53.002 1.00 0.00 ATOM 889 N MET A 117 -13.257 73.871 52.009 1.00 0.00 ATOM 890 CA MET A 117 -12.242 74.928 52.109 1.00 0.00 ATOM 891 CB MET A 117 -11.947 75.552 50.725 1.00 0.00 ATOM 892 CG MET A 117 -11.145 74.553 49.889 1.00 0.00 ATOM 893 SD MET A 117 -10.640 75.049 48.213 1.00 0.00 ATOM 894 CE MET A 117 -12.088 75.874 47.671 1.00 0.00 ATOM 895 O MET A 117 -11.784 76.829 53.484 1.00 0.00 ATOM 896 C MET A 117 -12.602 75.965 53.169 1.00 0.00 ATOM 897 N LYS A 118 -13.777 75.893 53.771 1.00 0.00 ATOM 898 CA LYS A 118 -14.110 76.707 54.948 1.00 0.00 ATOM 899 CB LYS A 118 -15.594 76.579 55.288 1.00 0.00 ATOM 900 CG LYS A 118 -16.493 77.266 54.260 1.00 0.00 ATOM 901 CD LYS A 118 -17.965 77.258 54.639 1.00 0.00 ATOM 902 CE LYS A 118 -18.817 77.324 53.378 1.00 0.00 ATOM 903 NZ LYS A 118 -20.272 77.259 53.682 1.00 0.00 ATOM 904 O LYS A 118 -13.098 77.085 57.098 1.00 0.00 ATOM 905 C LYS A 118 -13.225 76.319 56.136 1.00 0.00 ATOM 906 N SER A 119 -12.575 75.166 56.051 1.00 0.00 ATOM 907 CA SER A 119 -11.584 74.733 57.028 1.00 0.00 ATOM 908 CB SER A 119 -11.318 73.251 56.757 1.00 0.00 ATOM 909 OG SER A 119 -10.420 73.088 55.674 1.00 0.00 ATOM 910 O SER A 119 -9.359 75.347 57.752 1.00 0.00 ATOM 911 C SER A 119 -10.296 75.543 56.965 1.00 0.00 ATOM 912 N GLY A 120 -10.201 76.449 55.994 1.00 0.00 ATOM 913 CA GLY A 120 -9.010 77.189 55.654 1.00 0.00 ATOM 914 O GLY A 120 -6.869 76.957 54.597 1.00 0.00 ATOM 915 C GLY A 120 -7.962 76.437 54.866 1.00 0.00 ATOM 916 N ARG A 121 -8.238 75.230 54.451 1.00 0.00 ATOM 917 CA ARG A 121 -7.335 74.315 53.797 1.00 0.00 ATOM 918 CB ARG A 121 -7.033 73.057 54.589 1.00 0.00 ATOM 919 CG ARG A 121 -5.781 72.939 55.425 1.00 0.00 ATOM 920 CD ARG A 121 -5.902 71.680 56.284 1.00 0.00 ATOM 921 NE ARG A 121 -5.124 70.551 55.782 1.00 0.00 ATOM 922 CZ ARG A 121 -4.696 69.519 56.495 1.00 0.00 ATOM 923 NH1 ARG A 121 -4.961 69.429 57.796 1.00 0.00 ATOM 924 NH2 ARG A 121 -3.984 68.547 55.920 1.00 0.00 ATOM 925 O ARG A 121 -9.116 73.567 52.368 1.00 0.00 ATOM 926 C ARG A 121 -7.930 73.833 52.460 1.00 0.00 ATOM 927 N ARG A 122 -7.028 73.725 51.487 1.00 0.00 ATOM 928 CA ARG A 122 -7.413 73.136 50.208 1.00 0.00 ATOM 929 CB ARG A 122 -6.410 73.610 49.150 1.00 0.00 ATOM 930 CG ARG A 122 -6.836 73.358 47.712 1.00 0.00 ATOM 931 CD ARG A 122 -5.952 74.198 46.778 1.00 0.00 ATOM 932 NE ARG A 122 -6.585 74.167 45.458 1.00 0.00 ATOM 933 CZ ARG A 122 -7.407 75.098 45.003 1.00 0.00 ATOM 934 NH1 ARG A 122 -7.773 76.189 45.657 1.00 0.00 ATOM 935 NH2 ARG A 122 -7.891 74.911 43.778 1.00 0.00 ATOM 936 O ARG A 122 -6.391 71.113 50.860 1.00 0.00 ATOM 937 C ARG A 122 -7.383 71.628 50.326 1.00 0.00 ATOM 938 N PRO A 123 -8.344 70.865 49.834 1.00 0.00 ATOM 939 CA PRO A 123 -8.140 69.412 49.851 1.00 0.00 ATOM 940 CB PRO A 123 -9.426 68.878 49.245 1.00 0.00 ATOM 941 CG PRO A 123 -10.076 70.014 48.545 1.00 0.00 ATOM 942 CD PRO A 123 -9.602 71.276 49.201 1.00 0.00 ATOM 943 O PRO A 123 -6.631 69.815 48.039 1.00 0.00 ATOM 944 C PRO A 123 -6.942 69.070 48.975 1.00 0.00 ATOM 945 N ASP A 124 -6.223 67.978 49.216 1.00 0.00 ATOM 946 CA ASP A 124 -5.128 67.642 48.299 1.00 0.00 ATOM 947 CB ASP A 124 -3.959 67.082 49.108 1.00 0.00 ATOM 948 CG ASP A 124 -4.126 65.681 49.641 1.00 0.00 ATOM 949 OD1 ASP A 124 -5.275 65.201 49.621 1.00 0.00 ATOM 950 OD2 ASP A 124 -3.112 65.071 50.070 1.00 0.00 ATOM 951 O ASP A 124 -4.879 66.360 46.255 1.00 0.00 ATOM 952 C ASP A 124 -5.615 66.695 47.204 1.00 0.00 ATOM 953 N HIS A 125 -6.854 66.216 47.316 1.00 0.00 ATOM 954 CA HIS A 125 -7.433 65.311 46.330 1.00 0.00 ATOM 955 CB HIS A 125 -6.678 63.991 46.291 1.00 0.00 ATOM 956 CG HIS A 125 -6.991 62.944 47.296 1.00 0.00 ATOM 957 CD2 HIS A 125 -7.717 61.801 47.223 1.00 0.00 ATOM 958 ND1 HIS A 125 -6.506 62.994 48.584 1.00 0.00 ATOM 959 CE1 HIS A 125 -6.925 61.921 49.241 1.00 0.00 ATOM 960 NE2 HIS A 125 -7.677 61.169 48.452 1.00 0.00 ATOM 961 O HIS A 125 -9.477 65.578 47.583 1.00 0.00 ATOM 962 C HIS A 125 -8.913 65.085 46.604 1.00 0.00 ATOM 963 N ILE A 126 -9.528 64.341 45.698 1.00 0.00 ATOM 964 CA ILE A 126 -10.945 64.052 45.704 1.00 0.00 ATOM 965 CB ILE A 126 -11.681 64.730 44.510 1.00 0.00 ATOM 966 CG1 ILE A 126 -11.598 66.248 44.517 1.00 0.00 ATOM 967 CG2 ILE A 126 -13.125 64.271 44.433 1.00 0.00 ATOM 968 CD1 ILE A 126 -12.081 66.899 43.241 1.00 0.00 ATOM 969 O ILE A 126 -10.547 61.826 44.859 1.00 0.00 ATOM 970 C ILE A 126 -11.193 62.558 45.608 1.00 0.00 ATOM 971 N ASP A 127 -12.168 62.078 46.362 1.00 0.00 ATOM 972 CA ASP A 127 -12.657 60.711 46.258 1.00 0.00 ATOM 973 CB ASP A 127 -11.832 59.756 47.087 1.00 0.00 ATOM 974 CG ASP A 127 -12.050 59.843 48.591 1.00 0.00 ATOM 975 OD1 ASP A 127 -12.774 60.735 49.061 1.00 0.00 ATOM 976 OD2 ASP A 127 -11.460 58.989 49.292 1.00 0.00 ATOM 977 O ASP A 127 -14.644 61.865 46.802 1.00 0.00 ATOM 978 C ASP A 127 -14.130 60.752 46.638 1.00 0.00 ATOM 979 N SER A 128 -14.795 59.610 46.821 1.00 0.00 ATOM 980 CA SER A 128 -16.201 59.682 47.174 1.00 0.00 ATOM 981 CB SER A 128 -17.089 59.619 45.900 1.00 0.00 ATOM 982 OG SER A 128 -16.926 58.236 45.580 1.00 0.00 ATOM 983 O SER A 128 -16.173 57.376 47.915 1.00 0.00 ATOM 984 C SER A 128 -16.643 58.520 48.060 1.00 0.00 ATOM 985 N HIS A 129 -17.572 58.880 48.933 1.00 0.00 ATOM 986 CA HIS A 129 -18.281 57.965 49.810 1.00 0.00 ATOM 987 CB HIS A 129 -19.259 58.748 50.672 1.00 0.00 ATOM 988 CG HIS A 129 -19.973 57.957 51.717 1.00 0.00 ATOM 989 CD2 HIS A 129 -21.290 57.698 51.888 1.00 0.00 ATOM 990 ND1 HIS A 129 -19.321 57.336 52.758 1.00 0.00 ATOM 991 CE1 HIS A 129 -20.206 56.716 53.528 1.00 0.00 ATOM 992 NE2 HIS A 129 -21.411 56.920 53.021 1.00 0.00 ATOM 993 O HIS A 129 -19.687 57.356 48.004 1.00 0.00 ATOM 994 C HIS A 129 -19.033 56.945 48.972 1.00 0.00 ATOM 995 N HIS A 130 -18.914 55.678 49.314 1.00 0.00 ATOM 996 CA HIS A 130 -19.566 54.607 48.574 1.00 0.00 ATOM 997 CB HIS A 130 -21.084 54.820 48.578 1.00 0.00 ATOM 998 CG HIS A 130 -21.679 54.603 49.947 1.00 0.00 ATOM 999 CD2 HIS A 130 -21.134 54.147 51.104 1.00 0.00 ATOM 1000 ND1 HIS A 130 -22.994 54.880 50.233 1.00 0.00 ATOM 1001 CE1 HIS A 130 -23.237 54.601 51.501 1.00 0.00 ATOM 1002 NE2 HIS A 130 -22.124 54.146 52.066 1.00 0.00 ATOM 1003 O HIS A 130 -19.757 53.915 46.302 1.00 0.00 ATOM 1004 C HIS A 130 -19.068 54.523 47.132 1.00 0.00 ATOM 1005 N ASN A 131 -17.916 55.131 46.864 1.00 0.00 ATOM 1006 CA ASN A 131 -17.355 55.179 45.515 1.00 0.00 ATOM 1007 CB ASN A 131 -16.725 53.844 45.112 1.00 0.00 ATOM 1008 CG ASN A 131 -15.677 54.014 44.024 1.00 0.00 ATOM 1009 ND2 ASN A 131 -15.545 52.999 43.181 1.00 0.00 ATOM 1010 OD1 ASN A 131 -15.005 55.039 43.954 1.00 0.00 ATOM 1011 O ASN A 131 -18.416 54.940 43.390 1.00 0.00 ATOM 1012 C ASN A 131 -18.399 55.556 44.469 1.00 0.00 ATOM 1013 N VAL A 132 -19.253 56.537 44.759 1.00 0.00 ATOM 1014 CA VAL A 132 -20.304 56.910 43.819 1.00 0.00 ATOM 1015 CB VAL A 132 -21.364 57.813 44.508 1.00 0.00 ATOM 1016 CG1 VAL A 132 -22.136 56.959 45.523 1.00 0.00 ATOM 1017 CG2 VAL A 132 -20.771 59.052 45.142 1.00 0.00 ATOM 1018 O VAL A 132 -20.591 57.505 41.545 1.00 0.00 ATOM 1019 C VAL A 132 -19.825 57.570 42.526 1.00 0.00 ATOM 1020 N HIS A 133 -18.700 58.202 42.351 1.00 0.00 ATOM 1021 CA HIS A 133 -17.955 58.729 41.237 1.00 0.00 ATOM 1022 CB HIS A 133 -16.773 59.587 41.657 1.00 0.00 ATOM 1023 CG HIS A 133 -15.422 59.078 41.945 1.00 0.00 ATOM 1024 CD2 HIS A 133 -14.266 59.119 41.221 1.00 0.00 ATOM 1025 ND1 HIS A 133 -15.060 58.461 43.121 1.00 0.00 ATOM 1026 CE1 HIS A 133 -13.785 58.131 43.103 1.00 0.00 ATOM 1027 NE2 HIS A 133 -13.264 58.522 41.951 1.00 0.00 ATOM 1028 O HIS A 133 -16.993 57.890 39.224 1.00 0.00 ATOM 1029 C HIS A 133 -17.457 57.606 40.330 1.00 0.00 ATOM 1030 N GLY A 134 -17.558 56.364 40.793 1.00 0.00 ATOM 1031 CA GLY A 134 -17.220 55.222 39.963 1.00 0.00 ATOM 1032 O GLY A 134 -18.315 53.202 39.242 1.00 0.00 ATOM 1033 C GLY A 134 -18.419 54.332 39.715 1.00 0.00 ATOM 1034 N LYS A 135 -19.614 54.820 40.025 1.00 0.00 ATOM 1035 CA LYS A 135 -20.806 53.993 39.853 1.00 0.00 ATOM 1036 CB LYS A 135 -21.997 54.634 40.554 1.00 0.00 ATOM 1037 CG LYS A 135 -23.324 53.899 40.413 1.00 0.00 ATOM 1038 CD LYS A 135 -23.184 52.416 40.685 1.00 0.00 ATOM 1039 CE LYS A 135 -24.340 51.864 41.511 1.00 0.00 ATOM 1040 NZ LYS A 135 -23.951 50.514 42.044 1.00 0.00 ATOM 1041 O LYS A 135 -21.682 52.757 37.981 1.00 0.00 ATOM 1042 C LYS A 135 -21.151 53.800 38.370 1.00 0.00 ATOM 1043 N ASN A 136 -20.846 54.825 37.601 1.00 0.00 ATOM 1044 CA ASN A 136 -21.027 54.890 36.164 1.00 0.00 ATOM 1045 CB ASN A 136 -22.505 54.968 35.773 1.00 0.00 ATOM 1046 CG ASN A 136 -23.219 56.241 36.091 1.00 0.00 ATOM 1047 ND2 ASN A 136 -24.478 56.152 36.509 1.00 0.00 ATOM 1048 OD1 ASN A 136 -22.702 57.353 35.983 1.00 0.00 ATOM 1049 O ASN A 136 -19.851 56.999 36.334 1.00 0.00 ATOM 1050 C ASN A 136 -20.243 56.076 35.611 1.00 0.00 ATOM 1051 N LYS A 137 -20.005 56.064 34.314 1.00 0.00 ATOM 1052 CA LYS A 137 -19.176 57.024 33.614 1.00 0.00 ATOM 1053 CB LYS A 137 -19.081 56.562 32.141 1.00 0.00 ATOM 1054 CG LYS A 137 -17.903 55.633 31.900 1.00 0.00 ATOM 1055 CD LYS A 137 -18.234 54.543 30.904 1.00 0.00 ATOM 1056 CE LYS A 137 -17.183 53.457 30.777 1.00 0.00 ATOM 1057 NZ LYS A 137 -16.859 53.238 29.336 1.00 0.00 ATOM 1058 O LYS A 137 -18.850 59.381 33.545 1.00 0.00 ATOM 1059 C LYS A 137 -19.663 58.458 33.666 1.00 0.00 ATOM 1060 N LYS A 138 -20.970 58.638 33.827 1.00 0.00 ATOM 1061 CA LYS A 138 -21.593 59.938 33.873 1.00 0.00 ATOM 1062 CB LYS A 138 -23.113 59.848 33.765 1.00 0.00 ATOM 1063 CG LYS A 138 -23.668 59.411 32.426 1.00 0.00 ATOM 1064 CD LYS A 138 -24.887 58.523 32.628 1.00 0.00 ATOM 1065 O LYS A 138 -20.966 61.818 35.245 1.00 0.00 ATOM 1066 C LYS A 138 -21.284 60.637 35.200 1.00 0.00 ATOM 1067 N LEU A 139 -21.429 59.867 36.279 1.00 0.00 ATOM 1068 CA LEU A 139 -21.052 60.368 37.605 1.00 0.00 ATOM 1069 CB LEU A 139 -21.512 59.385 38.679 1.00 0.00 ATOM 1070 CG LEU A 139 -23.015 59.431 39.003 1.00 0.00 ATOM 1071 CD1 LEU A 139 -23.463 58.265 39.874 1.00 0.00 ATOM 1072 CD2 LEU A 139 -23.379 60.737 39.688 1.00 0.00 ATOM 1073 O LEU A 139 -19.120 61.730 38.017 1.00 0.00 ATOM 1074 C LEU A 139 -19.553 60.640 37.648 1.00 0.00 ATOM 1075 N LEU A 140 -18.733 59.672 37.265 1.00 0.00 ATOM 1076 CA LEU A 140 -17.313 59.880 37.043 1.00 0.00 ATOM 1077 CB LEU A 140 -16.744 58.719 36.200 1.00 0.00 ATOM 1078 CG LEU A 140 -15.235 58.737 35.976 1.00 0.00 ATOM 1079 CD1 LEU A 140 -14.494 58.968 37.288 1.00 0.00 ATOM 1080 CD2 LEU A 140 -14.778 57.437 35.324 1.00 0.00 ATOM 1081 O LEU A 140 -16.102 61.941 36.620 1.00 0.00 ATOM 1082 C LEU A 140 -16.985 61.153 36.284 1.00 0.00 ATOM 1083 N GLY A 141 -17.702 61.342 35.174 1.00 0.00 ATOM 1084 CA GLY A 141 -17.545 62.531 34.358 1.00 0.00 ATOM 1085 O GLY A 141 -17.012 64.783 34.893 1.00 0.00 ATOM 1086 C GLY A 141 -17.704 63.810 35.159 1.00 0.00 ATOM 1087 N VAL A 142 -18.617 63.801 36.131 1.00 0.00 ATOM 1088 CA VAL A 142 -18.874 64.979 36.940 1.00 0.00 ATOM 1089 CB VAL A 142 -20.187 64.856 37.717 1.00 0.00 ATOM 1090 CG1 VAL A 142 -20.333 65.995 38.723 1.00 0.00 ATOM 1091 CG2 VAL A 142 -21.384 64.876 36.771 1.00 0.00 ATOM 1092 O VAL A 142 -17.358 66.368 38.094 1.00 0.00 ATOM 1093 C VAL A 142 -17.716 65.200 37.919 1.00 0.00 ATOM 1094 N ALA A 143 -17.222 64.096 38.474 1.00 0.00 ATOM 1095 CA ALA A 143 -16.049 64.170 39.336 1.00 0.00 ATOM 1096 CB ALA A 143 -15.716 62.829 39.966 1.00 0.00 ATOM 1097 O ALA A 143 -14.116 65.555 39.082 1.00 0.00 ATOM 1098 C ALA A 143 -14.849 64.711 38.568 1.00 0.00 ATOM 1099 N LEU A 144 -14.599 64.233 37.354 1.00 0.00 ATOM 1100 CA LEU A 144 -13.435 64.679 36.594 1.00 0.00 ATOM 1101 CB LEU A 144 -13.249 63.846 35.315 1.00 0.00 ATOM 1102 CG LEU A 144 -12.784 62.404 35.608 1.00 0.00 ATOM 1103 CD1 LEU A 144 -13.245 61.476 34.495 1.00 0.00 ATOM 1104 CD2 LEU A 144 -11.289 62.356 35.828 1.00 0.00 ATOM 1105 O LEU A 144 -12.560 66.905 36.251 1.00 0.00 ATOM 1106 C LEU A 144 -13.538 66.144 36.235 1.00 0.00 ATOM 1107 N ALA A 145 -14.765 66.594 35.932 1.00 0.00 ATOM 1108 CA ALA A 145 -14.969 68.003 35.630 1.00 0.00 ATOM 1109 CB ALA A 145 -16.396 68.277 35.187 1.00 0.00 ATOM 1110 O ALA A 145 -13.969 69.912 36.669 1.00 0.00 ATOM 1111 C ALA A 145 -14.595 68.868 36.838 1.00 0.00 ATOM 1112 N LEU A 146 -14.954 68.446 38.054 1.00 0.00 ATOM 1113 CA LEU A 146 -14.584 69.262 39.233 1.00 0.00 ATOM 1114 CB LEU A 146 -15.516 68.869 40.379 1.00 0.00 ATOM 1115 CG LEU A 146 -16.968 69.363 40.230 1.00 0.00 ATOM 1116 CD1 LEU A 146 -17.944 68.508 41.017 1.00 0.00 ATOM 1117 CD2 LEU A 146 -17.035 70.821 40.622 1.00 0.00 ATOM 1118 O LEU A 146 -12.447 70.049 40.082 1.00 0.00 ATOM 1119 C LEU A 146 -13.102 69.128 39.562 1.00 0.00 ATOM 1120 N ALA A 147 -12.498 67.998 39.250 1.00 0.00 ATOM 1121 CA ALA A 147 -11.066 67.777 39.404 1.00 0.00 ATOM 1122 CB ALA A 147 -10.642 66.370 39.034 1.00 0.00 ATOM 1123 O ALA A 147 -9.313 69.381 38.984 1.00 0.00 ATOM 1124 C ALA A 147 -10.303 68.792 38.547 1.00 0.00 ATOM 1125 N ARG A 148 -10.814 68.969 37.312 1.00 0.00 ATOM 1126 CA ARG A 148 -10.134 69.913 36.407 1.00 0.00 ATOM 1127 CB ARG A 148 -10.591 69.723 34.953 1.00 0.00 ATOM 1128 CG ARG A 148 -10.489 68.294 34.476 1.00 0.00 ATOM 1129 CD ARG A 148 -11.063 68.031 33.092 1.00 0.00 ATOM 1130 NE ARG A 148 -10.556 66.738 32.644 1.00 0.00 ATOM 1131 CZ ARG A 148 -11.183 65.651 32.265 1.00 0.00 ATOM 1132 NH1 ARG A 148 -12.508 65.580 32.224 1.00 0.00 ATOM 1133 NH2 ARG A 148 -10.464 64.593 31.912 1.00 0.00 ATOM 1134 O ARG A 148 -9.409 72.135 36.864 1.00 0.00 ATOM 1135 C ARG A 148 -10.345 71.340 36.892 1.00 0.00 ATOM 1136 N LYS A 149 -11.542 71.653 37.361 1.00 0.00 ATOM 1137 CA LYS A 149 -11.944 72.976 37.805 1.00 0.00 ATOM 1138 CB LYS A 149 -13.429 73.035 38.134 1.00 0.00 ATOM 1139 CG LYS A 149 -13.880 74.365 38.707 1.00 0.00 ATOM 1140 CD LYS A 149 -15.251 74.234 39.359 1.00 0.00 ATOM 1141 CE LYS A 149 -15.817 75.585 39.751 1.00 0.00 ATOM 1142 NZ LYS A 149 -17.310 75.593 39.728 1.00 0.00 ATOM 1143 O LYS A 149 -10.744 74.575 39.106 1.00 0.00 ATOM 1144 C LYS A 149 -11.128 73.404 39.026 1.00 0.00 ATOM 1145 N TYR A 150 -10.891 72.438 39.917 1.00 0.00 ATOM 1146 CA TYR A 150 -10.118 72.808 41.104 1.00 0.00 ATOM 1147 CB TYR A 150 -10.813 72.288 42.380 1.00 0.00 ATOM 1148 CG TYR A 150 -12.083 73.048 42.660 1.00 0.00 ATOM 1149 CD1 TYR A 150 -12.038 74.250 43.363 1.00 0.00 ATOM 1150 CD2 TYR A 150 -13.322 72.604 42.247 1.00 0.00 ATOM 1151 CE1 TYR A 150 -13.192 74.964 43.629 1.00 0.00 ATOM 1152 CE2 TYR A 150 -14.475 73.300 42.502 1.00 0.00 ATOM 1153 CZ TYR A 150 -14.411 74.487 43.202 1.00 0.00 ATOM 1154 OH TYR A 150 -15.579 75.170 43.448 1.00 0.00 ATOM 1155 O TYR A 150 -7.878 72.589 41.893 1.00 0.00 ATOM 1156 C TYR A 150 -8.690 72.311 41.010 1.00 0.00 ATOM 1157 N GLN A 151 -8.357 71.597 39.929 1.00 0.00 ATOM 1158 CA GLN A 151 -6.970 71.197 39.731 1.00 0.00 ATOM 1159 CB GLN A 151 -6.041 72.406 39.609 1.00 0.00 ATOM 1160 CG GLN A 151 -6.105 73.101 38.264 1.00 0.00 ATOM 1161 CD GLN A 151 -5.775 72.192 37.092 1.00 0.00 ATOM 1162 OE1 GLN A 151 -4.618 71.843 36.857 1.00 0.00 ATOM 1163 NE2 GLN A 151 -6.822 71.794 36.379 1.00 0.00 ATOM 1164 O GLN A 151 -5.477 70.575 41.500 1.00 0.00 ATOM 1165 C GLN A 151 -6.484 70.299 40.863 1.00 0.00 ATOM 1166 N LEU A 152 -7.242 69.246 41.073 1.00 0.00 ATOM 1167 CA LEU A 152 -6.979 68.228 42.073 1.00 0.00 ATOM 1168 CB LEU A 152 -8.086 68.232 43.137 1.00 0.00 ATOM 1169 CG LEU A 152 -8.189 69.551 43.905 1.00 0.00 ATOM 1170 CD1 LEU A 152 -9.502 69.594 44.667 1.00 0.00 ATOM 1171 CD2 LEU A 152 -6.981 69.723 44.813 1.00 0.00 ATOM 1172 O LEU A 152 -7.803 66.598 40.575 1.00 0.00 ATOM 1173 C LEU A 152 -6.968 66.840 41.454 1.00 0.00 ATOM 1174 N PRO A 153 -6.053 65.993 41.903 1.00 0.00 ATOM 1175 CA PRO A 153 -6.053 64.597 41.466 1.00 0.00 ATOM 1176 CB PRO A 153 -4.761 64.023 42.018 1.00 0.00 ATOM 1177 CG PRO A 153 -4.429 64.921 43.165 1.00 0.00 ATOM 1178 CD PRO A 153 -4.946 66.283 42.827 1.00 0.00 ATOM 1179 O PRO A 153 -7.810 64.374 43.098 1.00 0.00 ATOM 1180 C PRO A 153 -7.275 63.908 42.082 1.00 0.00 ATOM 1181 N LEU A 154 -7.678 62.821 41.455 1.00 0.00 ATOM 1182 CA LEU A 154 -8.903 62.120 41.774 1.00 0.00 ATOM 1183 CB LEU A 154 -9.895 62.330 40.611 1.00 0.00 ATOM 1184 CG LEU A 154 -11.180 61.533 40.662 1.00 0.00 ATOM 1185 CD1 LEU A 154 -12.038 62.001 41.847 1.00 0.00 ATOM 1186 CD2 LEU A 154 -11.994 61.666 39.384 1.00 0.00 ATOM 1187 O LEU A 154 -7.921 60.033 41.167 1.00 0.00 ATOM 1188 C LEU A 154 -8.659 60.638 41.958 1.00 0.00 ATOM 1189 N ARG A 155 -9.279 60.040 42.966 1.00 0.00 ATOM 1190 CA ARG A 155 -9.134 58.628 43.231 1.00 0.00 ATOM 1191 CB ARG A 155 -10.065 58.187 44.372 1.00 0.00 ATOM 1192 CG ARG A 155 -10.111 56.680 44.539 1.00 0.00 ATOM 1193 CD ARG A 155 -11.028 56.307 45.697 1.00 0.00 ATOM 1194 NE ARG A 155 -10.263 56.314 46.950 1.00 0.00 ATOM 1195 CZ ARG A 155 -10.824 56.049 48.134 1.00 0.00 ATOM 1196 NH1 ARG A 155 -12.111 55.780 48.218 1.00 0.00 ATOM 1197 NH2 ARG A 155 -10.104 56.055 49.258 1.00 0.00 ATOM 1198 O ARG A 155 -10.477 58.122 41.325 1.00 0.00 ATOM 1199 C ARG A 155 -9.478 57.803 41.974 1.00 0.00 ATOM 1200 N ASN A 156 -8.683 56.785 41.710 1.00 0.00 ATOM 1201 CA ASN A 156 -8.980 55.855 40.609 1.00 0.00 ATOM 1202 CB ASN A 156 -7.828 54.888 40.468 1.00 0.00 ATOM 1203 CG ASN A 156 -8.001 53.756 39.489 1.00 0.00 ATOM 1204 ND2 ASN A 156 -6.851 53.325 38.977 1.00 0.00 ATOM 1205 OD1 ASN A 156 -9.110 53.295 39.221 1.00 0.00 ATOM 1206 O ASN A 156 -10.473 54.450 41.879 1.00 0.00 ATOM 1207 C ASN A 156 -10.310 55.178 40.896 1.00 0.00 ATOM 1208 N ALA A 157 -11.275 55.391 40.011 1.00 0.00 ATOM 1209 CA ALA A 157 -12.609 54.855 40.196 1.00 0.00 ATOM 1210 CB ALA A 157 -13.558 55.731 39.357 1.00 0.00 ATOM 1211 O ALA A 157 -13.936 52.882 40.090 1.00 0.00 ATOM 1212 C ALA A 157 -12.830 53.404 39.827 1.00 0.00 ATOM 1213 N SER A 158 -11.887 52.680 39.216 1.00 0.00 ATOM 1214 CA SER A 158 -12.251 51.304 38.813 1.00 0.00 ATOM 1215 CB SER A 158 -11.500 50.939 37.520 1.00 0.00 ATOM 1216 OG SER A 158 -11.217 49.548 37.394 1.00 0.00 ATOM 1217 O SER A 158 -10.847 50.150 40.337 1.00 0.00 ATOM 1218 C SER A 158 -11.976 50.254 39.871 1.00 0.00 ATOM 1219 N ARG A 159 -12.954 49.424 40.245 1.00 0.00 ATOM 1220 CA ARG A 159 -12.668 48.317 41.175 1.00 0.00 ATOM 1221 CB ARG A 159 -13.398 48.501 42.505 1.00 0.00 ATOM 1222 CG ARG A 159 -13.296 49.918 43.049 1.00 0.00 ATOM 1223 CD ARG A 159 -13.775 50.025 44.480 1.00 0.00 ATOM 1224 NE ARG A 159 -13.379 51.298 45.081 1.00 0.00 ATOM 1225 CZ ARG A 159 -13.750 51.685 46.295 1.00 0.00 ATOM 1226 NH1 ARG A 159 -14.523 50.906 47.045 1.00 0.00 ATOM 1227 NH2 ARG A 159 -13.367 52.848 46.799 1.00 0.00 ATOM 1228 O ARG A 159 -13.400 46.027 41.318 1.00 0.00 ATOM 1229 C ARG A 159 -13.068 46.965 40.587 1.00 0.00 ATOM 1230 N SER A 160 -13.037 46.891 39.266 1.00 0.00 ATOM 1231 CA SER A 160 -13.494 45.725 38.506 1.00 0.00 ATOM 1232 CB SER A 160 -15.019 45.735 38.416 1.00 0.00 ATOM 1233 OG SER A 160 -15.599 46.033 37.171 1.00 0.00 ATOM 1234 O SER A 160 -12.410 46.733 36.625 1.00 0.00 ATOM 1235 C SER A 160 -12.815 45.694 37.145 1.00 0.00 ATOM 1236 N ILE A 161 -12.643 44.520 36.521 1.00 0.00 ATOM 1237 CA ILE A 161 -11.995 44.598 35.206 1.00 0.00 ATOM 1238 CB ILE A 161 -11.646 43.244 34.565 1.00 0.00 ATOM 1239 CG1 ILE A 161 -11.903 43.285 33.040 1.00 0.00 ATOM 1240 O ILE A 161 -12.467 46.110 33.394 1.00 0.00 ATOM 1241 C ILE A 161 -12.920 45.336 34.238 1.00 0.00 ATOM 1242 N GLU A 162 -14.216 45.077 34.389 1.00 0.00 ATOM 1243 CA GLU A 162 -15.235 45.647 33.527 1.00 0.00 ATOM 1244 CB GLU A 162 -16.635 45.234 33.998 1.00 0.00 ATOM 1245 O GLU A 162 -15.595 47.722 32.423 1.00 0.00 ATOM 1246 C GLU A 162 -15.182 47.163 33.442 1.00 0.00 ATOM 1247 N THR A 163 -14.684 47.843 34.472 1.00 0.00 ATOM 1248 CA THR A 163 -14.686 49.315 34.446 1.00 0.00 ATOM 1249 CB THR A 163 -15.350 49.889 35.702 1.00 0.00 ATOM 1250 CG2 THR A 163 -16.754 49.345 35.912 1.00 0.00 ATOM 1251 OG1 THR A 163 -14.707 49.425 36.889 1.00 0.00 ATOM 1252 O THR A 163 -12.961 51.021 34.498 1.00 0.00 ATOM 1253 C THR A 163 -13.272 49.855 34.269 1.00 0.00 ATOM 1254 N LYS A 164 -12.352 48.990 33.826 1.00 0.00 ATOM 1255 CA LYS A 164 -10.978 49.441 33.626 1.00 0.00 ATOM 1256 CB LYS A 164 -10.108 48.276 33.155 1.00 0.00 ATOM 1257 O LYS A 164 -10.004 51.432 32.703 1.00 0.00 ATOM 1258 C LYS A 164 -10.913 50.601 32.638 1.00 0.00 ATOM 1259 N ASP A 165 -11.893 50.662 31.733 1.00 0.00 ATOM 1260 CA ASP A 165 -11.885 51.711 30.720 1.00 0.00 ATOM 1261 CB ASP A 165 -12.800 51.313 29.572 1.00 0.00 ATOM 1262 CG ASP A 165 -14.284 51.418 29.812 1.00 0.00 ATOM 1263 OD1 ASP A 165 -14.753 51.248 30.955 1.00 0.00 ATOM 1264 OD2 ASP A 165 -15.000 51.669 28.812 1.00 0.00 ATOM 1265 O ASP A 165 -12.207 54.105 30.638 1.00 0.00 ATOM 1266 C ASP A 165 -12.244 53.070 31.304 1.00 0.00 ATOM 1267 N TYR A 166 -12.594 53.097 32.587 1.00 0.00 ATOM 1268 CA TYR A 166 -12.871 54.395 33.225 1.00 0.00 ATOM 1269 CB TYR A 166 -13.250 54.187 34.683 1.00 0.00 ATOM 1270 CG TYR A 166 -14.673 53.823 35.010 1.00 0.00 ATOM 1271 CD1 TYR A 166 -15.695 53.768 34.078 1.00 0.00 ATOM 1272 CD2 TYR A 166 -15.012 53.522 36.331 1.00 0.00 ATOM 1273 CE1 TYR A 166 -16.989 53.426 34.430 1.00 0.00 ATOM 1274 CE2 TYR A 166 -16.301 53.186 36.695 1.00 0.00 ATOM 1275 CZ TYR A 166 -17.295 53.141 35.741 1.00 0.00 ATOM 1276 OH TYR A 166 -18.584 52.808 36.082 1.00 0.00 ATOM 1277 O TYR A 166 -11.736 56.517 32.928 1.00 0.00 ATOM 1278 C TYR A 166 -11.655 55.310 33.136 1.00 0.00 ATOM 1279 N LEU A 167 -10.489 54.689 33.315 1.00 0.00 ATOM 1280 CA LEU A 167 -9.261 55.467 33.437 1.00 0.00 ATOM 1281 CB LEU A 167 -8.123 54.569 33.941 1.00 0.00 ATOM 1282 CG LEU A 167 -7.860 54.846 35.447 1.00 0.00 ATOM 1283 CD1 LEU A 167 -8.905 54.105 36.261 1.00 0.00 ATOM 1284 CD2 LEU A 167 -6.444 54.475 35.843 1.00 0.00 ATOM 1285 O LEU A 167 -8.181 57.163 32.121 1.00 0.00 ATOM 1286 C LEU A 167 -8.889 56.148 32.145 1.00 0.00 ATOM 1287 N GLU A 168 -9.409 55.643 31.021 1.00 0.00 ATOM 1288 CA GLU A 168 -9.048 56.368 29.784 1.00 0.00 ATOM 1289 CB GLU A 168 -9.403 55.594 28.534 1.00 0.00 ATOM 1290 CG GLU A 168 -10.716 54.861 28.396 1.00 0.00 ATOM 1291 CD GLU A 168 -10.595 53.751 27.376 1.00 0.00 ATOM 1292 OE1 GLU A 168 -9.616 52.980 27.453 1.00 0.00 ATOM 1293 OE2 GLU A 168 -11.478 53.645 26.496 1.00 0.00 ATOM 1294 O GLU A 168 -9.297 58.620 28.956 1.00 0.00 ATOM 1295 C GLU A 168 -9.656 57.768 29.775 1.00 0.00 ATOM 1296 N LEU A 169 -10.620 58.045 30.641 1.00 0.00 ATOM 1297 CA LEU A 169 -11.270 59.323 30.718 1.00 0.00 ATOM 1298 CB LEU A 169 -12.679 59.210 31.325 1.00 0.00 ATOM 1299 CG LEU A 169 -13.471 57.984 30.837 1.00 0.00 ATOM 1300 CD1 LEU A 169 -14.811 57.905 31.540 1.00 0.00 ATOM 1301 CD2 LEU A 169 -13.599 58.038 29.320 1.00 0.00 ATOM 1302 O LEU A 169 -10.903 61.517 31.528 1.00 0.00 ATOM 1303 C LEU A 169 -10.539 60.343 31.578 1.00 0.00 ATOM 1304 N TYR A 170 -9.566 59.868 32.353 1.00 0.00 ATOM 1305 CA TYR A 170 -8.921 60.785 33.296 1.00 0.00 ATOM 1306 CB TYR A 170 -8.070 59.992 34.307 1.00 0.00 ATOM 1307 CG TYR A 170 -8.869 59.429 35.474 1.00 0.00 ATOM 1308 CD1 TYR A 170 -9.851 58.475 35.267 1.00 0.00 ATOM 1309 CD2 TYR A 170 -8.624 59.876 36.770 1.00 0.00 ATOM 1310 CE1 TYR A 170 -10.584 57.961 36.321 1.00 0.00 ATOM 1311 CE2 TYR A 170 -9.348 59.371 37.842 1.00 0.00 ATOM 1312 CZ TYR A 170 -10.316 58.422 37.604 1.00 0.00 ATOM 1313 OH TYR A 170 -11.055 57.895 38.629 1.00 0.00 ATOM 1314 O TYR A 170 -8.144 63.013 32.893 1.00 0.00 ATOM 1315 C TYR A 170 -8.047 61.822 32.604 1.00 0.00 ATOM 1316 N GLN A 171 -7.170 61.361 31.715 1.00 0.00 ATOM 1317 CA GLN A 171 -6.348 62.253 30.890 1.00 0.00 ATOM 1318 CB GLN A 171 -7.296 63.008 29.942 1.00 0.00 ATOM 1319 CG GLN A 171 -7.787 62.047 28.866 1.00 0.00 ATOM 1320 CD GLN A 171 -9.030 62.453 28.117 1.00 0.00 ATOM 1321 OE1 GLN A 171 -9.447 63.602 28.038 1.00 0.00 ATOM 1322 NE2 GLN A 171 -9.656 61.435 27.520 1.00 0.00 ATOM 1323 O GLN A 171 -4.456 62.681 32.235 1.00 0.00 ATOM 1324 C GLN A 171 -5.462 63.176 31.709 1.00 0.00 ATOM 1325 N ASP A 172 -5.795 64.449 31.796 1.00 0.00 ATOM 1326 CA ASP A 172 -5.052 65.443 32.542 1.00 0.00 ATOM 1327 CB ASP A 172 -5.474 66.851 32.133 1.00 0.00 ATOM 1328 CG ASP A 172 -6.962 67.122 32.219 1.00 0.00 ATOM 1329 OD1 ASP A 172 -7.783 66.190 32.197 1.00 0.00 ATOM 1330 OD2 ASP A 172 -7.339 68.313 32.300 1.00 0.00 ATOM 1331 O ASP A 172 -4.387 65.800 34.814 1.00 0.00 ATOM 1332 C ASP A 172 -5.232 65.300 34.059 1.00 0.00 ATOM 1333 N VAL A 173 -6.313 64.667 34.471 1.00 0.00 ATOM 1334 CA VAL A 173 -6.579 64.443 35.897 1.00 0.00 ATOM 1335 CB VAL A 173 -8.067 64.212 36.173 1.00 0.00 ATOM 1336 CG1 VAL A 173 -8.295 63.973 37.665 1.00 0.00 ATOM 1337 CG2 VAL A 173 -8.925 65.382 35.716 1.00 0.00 ATOM 1338 O VAL A 173 -5.965 62.087 36.139 1.00 0.00 ATOM 1339 C VAL A 173 -5.779 63.263 36.445 1.00 0.00 ATOM 1340 N ARG A 174 -4.827 63.567 37.325 1.00 0.00 ATOM 1341 CA ARG A 174 -3.934 62.562 37.877 1.00 0.00 ATOM 1342 CB ARG A 174 -2.785 63.323 38.564 1.00 0.00 ATOM 1343 CG ARG A 174 -1.896 64.018 37.538 1.00 0.00 ATOM 1344 CD ARG A 174 -0.596 64.548 38.094 1.00 0.00 ATOM 1345 NE ARG A 174 0.440 63.527 38.225 1.00 0.00 ATOM 1346 CZ ARG A 174 1.577 63.701 38.881 1.00 0.00 ATOM 1347 NH1 ARG A 174 1.831 64.857 39.469 1.00 0.00 ATOM 1348 NH2 ARG A 174 2.426 62.688 38.920 1.00 0.00 ATOM 1349 O ARG A 174 -5.549 62.004 39.542 1.00 0.00 ATOM 1350 C ARG A 174 -4.606 61.604 38.848 1.00 0.00 ATOM 1351 N THR A 175 -4.130 60.359 38.898 1.00 0.00 ATOM 1352 CA THR A 175 -4.802 59.334 39.690 1.00 0.00 ATOM 1353 CB THR A 175 -6.071 58.837 38.972 1.00 0.00 ATOM 1354 CG2 THR A 175 -5.666 58.078 37.696 1.00 0.00 ATOM 1355 OG1 THR A 175 -6.813 57.908 39.761 1.00 0.00 ATOM 1356 O THR A 175 -2.910 57.966 39.151 1.00 0.00 ATOM 1357 C THR A 175 -3.842 58.193 39.943 1.00 0.00 ATOM 1358 N PRO A 176 -3.996 57.468 41.045 1.00 0.00 ATOM 1359 CA PRO A 176 -3.196 56.251 41.220 1.00 0.00 ATOM 1360 CB PRO A 176 -3.720 55.669 42.527 1.00 0.00 ATOM 1361 CG PRO A 176 -4.339 56.819 43.255 1.00 0.00 ATOM 1362 CD PRO A 176 -4.864 57.755 42.202 1.00 0.00 ATOM 1363 O PRO A 176 -4.506 55.166 39.488 1.00 0.00 ATOM 1364 C PRO A 176 -3.423 55.268 40.075 1.00 0.00 ATOM 1365 N ASP A 177 -2.350 54.539 39.764 1.00 0.00 ATOM 1366 CA ASP A 177 -2.436 53.537 38.695 1.00 0.00 ATOM 1367 CB ASP A 177 -1.014 53.046 38.377 1.00 0.00 ATOM 1368 CG ASP A 177 -0.171 54.234 37.928 1.00 0.00 ATOM 1369 OD1 ASP A 177 -0.709 55.063 37.157 1.00 0.00 ATOM 1370 OD2 ASP A 177 0.995 54.353 38.344 1.00 0.00 ATOM 1371 O ASP A 177 -3.956 51.763 38.207 1.00 0.00 ATOM 1372 C ASP A 177 -3.349 52.389 39.071 1.00 0.00 ATOM 1373 N GLU A 178 -3.442 52.093 40.375 1.00 0.00 ATOM 1374 CA GLU A 178 -4.299 50.996 40.814 1.00 0.00 ATOM 1375 CB GLU A 178 -3.454 49.733 41.014 1.00 0.00 ATOM 1376 O GLU A 178 -4.391 51.827 43.020 1.00 0.00 ATOM 1377 C GLU A 178 -5.042 51.319 42.110 1.00 0.00 ATOM 1378 N MET A 179 -6.331 51.041 42.170 1.00 0.00 ATOM 1379 CA MET A 179 -7.188 51.106 43.341 1.00 0.00 ATOM 1380 CB MET A 179 -8.586 51.618 42.987 1.00 0.00 ATOM 1381 CG MET A 179 -9.559 51.712 44.149 1.00 0.00 ATOM 1382 SD MET A 179 -9.221 53.124 45.238 1.00 0.00 ATOM 1383 CE MET A 179 -8.622 52.268 46.683 1.00 0.00 ATOM 1384 O MET A 179 -7.852 48.806 43.413 1.00 0.00 ATOM 1385 C MET A 179 -7.245 49.719 43.971 1.00 0.00 ATOM 1386 N LEU A 180 -6.607 49.549 45.122 1.00 0.00 ATOM 1387 CA LEU A 180 -6.685 48.341 45.930 1.00 0.00 ATOM 1388 CB LEU A 180 -5.315 47.971 46.482 1.00 0.00 ATOM 1389 CG LEU A 180 -4.221 47.875 45.400 1.00 0.00 ATOM 1390 CD1 LEU A 180 -2.890 47.478 45.998 1.00 0.00 ATOM 1391 CD2 LEU A 180 -4.640 46.892 44.313 1.00 0.00 ATOM 1392 O LEU A 180 -7.444 49.163 48.077 1.00 0.00 ATOM 1393 C LEU A 180 -7.725 48.549 47.042 1.00 0.00 ATOM 1394 N TYR A 181 -8.922 48.044 46.781 1.00 0.00 ATOM 1395 CA TYR A 181 -10.126 48.207 47.565 1.00 0.00 ATOM 1396 CB TYR A 181 -11.317 48.479 46.627 1.00 0.00 ATOM 1397 CG TYR A 181 -11.552 47.325 45.660 1.00 0.00 ATOM 1398 CD1 TYR A 181 -10.830 47.247 44.477 1.00 0.00 ATOM 1399 CD2 TYR A 181 -12.475 46.323 45.924 1.00 0.00 ATOM 1400 CE1 TYR A 181 -11.021 46.202 43.583 1.00 0.00 ATOM 1401 CE2 TYR A 181 -12.680 45.270 45.043 1.00 0.00 ATOM 1402 CZ TYR A 181 -11.949 45.228 43.873 1.00 0.00 ATOM 1403 OH TYR A 181 -12.143 44.188 42.986 1.00 0.00 ATOM 1404 O TYR A 181 -11.524 46.973 49.030 1.00 0.00 ATOM 1405 C TYR A 181 -10.449 46.984 48.426 1.00 0.00 ATOM 1406 N GLN A 182 -9.592 45.978 48.461 1.00 0.00 ATOM 1407 CA GLN A 182 -9.955 44.666 48.980 1.00 0.00 ATOM 1408 CB GLN A 182 -9.021 43.598 48.395 1.00 0.00 ATOM 1409 CG GLN A 182 -9.303 43.358 46.913 1.00 0.00 ATOM 1410 CD GLN A 182 -8.339 44.138 46.043 1.00 0.00 ATOM 1411 OE1 GLN A 182 -7.859 45.199 46.428 1.00 0.00 ATOM 1412 NE2 GLN A 182 -8.060 43.611 44.859 1.00 0.00 ATOM 1413 O GLN A 182 -10.531 43.619 51.046 1.00 0.00 ATOM 1414 C GLN A 182 -9.958 44.573 50.504 1.00 0.00 ATOM 1415 N PHE A 183 -9.357 45.565 51.155 1.00 0.00 ATOM 1416 CA PHE A 183 -9.223 45.532 52.615 1.00 0.00 ATOM 1417 CB PHE A 183 -8.030 46.372 53.047 1.00 0.00 ATOM 1418 CG PHE A 183 -7.659 46.278 54.515 1.00 0.00 ATOM 1419 CD1 PHE A 183 -7.145 45.119 55.067 1.00 0.00 ATOM 1420 CD2 PHE A 183 -7.819 47.397 55.317 1.00 0.00 ATOM 1421 CE1 PHE A 183 -6.789 45.058 56.402 1.00 0.00 ATOM 1422 CE2 PHE A 183 -7.487 47.342 56.655 1.00 0.00 ATOM 1423 CZ PHE A 183 -6.980 46.169 57.189 1.00 0.00 ATOM 1424 O PHE A 183 -10.640 47.205 53.550 1.00 0.00 ATOM 1425 C PHE A 183 -10.500 46.018 53.270 1.00 0.00 ATOM 1426 N TYR A 184 -11.446 45.109 53.500 1.00 0.00 ATOM 1427 CA TYR A 184 -12.772 45.450 53.937 1.00 0.00 ATOM 1428 CB TYR A 184 -13.559 46.081 52.768 1.00 0.00 ATOM 1429 CG TYR A 184 -14.991 46.370 53.129 1.00 0.00 ATOM 1430 CD1 TYR A 184 -15.335 47.455 53.931 1.00 0.00 ATOM 1431 CD2 TYR A 184 -16.004 45.535 52.670 1.00 0.00 ATOM 1432 CE1 TYR A 184 -16.657 47.697 54.252 1.00 0.00 ATOM 1433 CE2 TYR A 184 -17.323 45.777 52.997 1.00 0.00 ATOM 1434 CZ TYR A 184 -17.644 46.855 53.788 1.00 0.00 ATOM 1435 OH TYR A 184 -18.969 47.078 54.098 1.00 0.00 ATOM 1436 O TYR A 184 -13.547 43.179 53.859 1.00 0.00 ATOM 1437 C TYR A 184 -13.555 44.248 54.463 1.00 0.00 ATOM 1438 N ASP A 185 -14.228 44.482 55.583 1.00 0.00 ATOM 1439 CA ASP A 185 -15.138 43.506 56.192 1.00 0.00 ATOM 1440 CB ASP A 185 -16.469 43.597 55.424 1.00 0.00 ATOM 1441 CG ASP A 185 -17.624 43.063 56.252 1.00 0.00 ATOM 1442 OD1 ASP A 185 -17.559 43.169 57.495 1.00 0.00 ATOM 1443 OD2 ASP A 185 -18.607 42.542 55.681 1.00 0.00 ATOM 1444 O ASP A 185 -13.612 41.857 57.017 1.00 0.00 ATOM 1445 C ASP A 185 -14.567 42.106 56.261 1.00 0.00 ATOM 1446 N LYS A 186 -15.022 41.062 55.558 1.00 0.00 ATOM 1447 CA LYS A 186 -14.509 39.729 55.904 1.00 0.00 ATOM 1448 CB LYS A 186 -15.471 38.687 55.325 1.00 0.00 ATOM 1449 CG LYS A 186 -16.874 38.833 55.909 1.00 0.00 ATOM 1450 CD LYS A 186 -16.981 38.205 57.291 1.00 0.00 ATOM 1451 O LYS A 186 -12.483 38.443 55.720 1.00 0.00 ATOM 1452 C LYS A 186 -13.073 39.499 55.464 1.00 0.00 ATOM 1453 N ALA A 187 -12.474 40.488 54.815 1.00 0.00 ATOM 1454 CA ALA A 187 -11.096 40.442 54.367 1.00 0.00 ATOM 1455 CB ALA A 187 -10.978 41.021 52.950 1.00 0.00 ATOM 1456 O ALA A 187 -8.964 41.287 55.087 1.00 0.00 ATOM 1457 C ALA A 187 -10.174 41.201 55.312 1.00 0.00 ATOM 1458 N ILE A 188 -10.751 41.776 56.367 1.00 0.00 ATOM 1459 CA ILE A 188 -9.927 42.461 57.365 1.00 0.00 ATOM 1460 CB ILE A 188 -10.797 43.226 58.374 1.00 0.00 ATOM 1461 CG1 ILE A 188 -11.771 44.223 57.734 1.00 0.00 ATOM 1462 CG2 ILE A 188 -9.917 43.931 59.401 1.00 0.00 ATOM 1463 CD1 ILE A 188 -11.031 45.234 56.886 1.00 0.00 ATOM 1464 O ILE A 188 -9.383 40.676 58.938 1.00 0.00 ATOM 1465 C ILE A 188 -9.013 41.472 58.080 1.00 0.00 ATOM 1466 N SER A 189 -7.745 41.511 57.690 1.00 0.00 ATOM 1467 CA SER A 189 -6.695 40.766 58.359 1.00 0.00 ATOM 1468 CB SER A 189 -6.927 39.262 58.190 1.00 0.00 ATOM 1469 OG SER A 189 -6.637 38.904 56.846 1.00 0.00 ATOM 1470 O SER A 189 -5.136 41.949 56.901 1.00 0.00 ATOM 1471 C SER A 189 -5.330 41.192 57.857 1.00 0.00 ATOM 1472 N THR A 190 -4.311 40.701 58.562 1.00 0.00 ATOM 1473 CA THR A 190 -2.950 41.059 58.227 1.00 0.00 ATOM 1474 CB THR A 190 -1.957 40.477 59.257 1.00 0.00 ATOM 1475 CG2 THR A 190 -0.579 41.025 58.947 1.00 0.00 ATOM 1476 OG1 THR A 190 -2.316 40.909 60.568 1.00 0.00 ATOM 1477 O THR A 190 -1.901 41.180 56.061 1.00 0.00 ATOM 1478 C THR A 190 -2.564 40.518 56.851 1.00 0.00 ATOM 1479 N GLU A 191 -3.002 39.290 56.655 1.00 0.00 ATOM 1480 CA GLU A 191 -2.713 38.512 55.454 1.00 0.00 ATOM 1481 CB GLU A 191 -3.372 37.124 55.535 1.00 0.00 ATOM 1482 O GLU A 191 -2.412 39.347 53.230 1.00 0.00 ATOM 1483 C GLU A 191 -3.163 39.259 54.207 1.00 0.00 ATOM 1484 N THR A 192 -4.367 39.812 54.235 1.00 0.00 ATOM 1485 CA THR A 192 -4.894 40.581 53.118 1.00 0.00 ATOM 1486 CB THR A 192 -6.279 41.161 53.415 1.00 0.00 ATOM 1487 CG2 THR A 192 -6.826 41.894 52.191 1.00 0.00 ATOM 1488 OG1 THR A 192 -7.239 40.127 53.640 1.00 0.00 ATOM 1489 O THR A 192 -3.652 41.972 51.602 1.00 0.00 ATOM 1490 C THR A 192 -3.915 41.699 52.770 1.00 0.00 ATOM 1491 N ILE A 193 -3.386 42.332 53.817 1.00 0.00 ATOM 1492 CA ILE A 193 -2.517 43.480 53.645 1.00 0.00 ATOM 1493 CB ILE A 193 -2.188 44.171 54.983 1.00 0.00 ATOM 1494 CG1 ILE A 193 -3.353 44.948 55.589 1.00 0.00 ATOM 1495 CG2 ILE A 193 -0.949 45.051 54.826 1.00 0.00 ATOM 1496 CD1 ILE A 193 -3.744 46.193 54.828 1.00 0.00 ATOM 1497 O ILE A 193 -0.704 43.772 52.113 1.00 0.00 ATOM 1498 C ILE A 193 -1.209 43.056 52.978 1.00 0.00 ATOM 1499 N LEU A 194 -0.668 41.907 53.386 1.00 0.00 ATOM 1500 CA LEU A 194 0.582 41.437 52.797 1.00 0.00 ATOM 1501 CB LEU A 194 1.122 40.194 53.499 1.00 0.00 ATOM 1502 CG LEU A 194 1.338 40.298 55.013 1.00 0.00 ATOM 1503 CD1 LEU A 194 1.880 39.007 55.602 1.00 0.00 ATOM 1504 CD2 LEU A 194 2.287 41.435 55.353 1.00 0.00 ATOM 1505 O LEU A 194 1.155 41.523 50.474 1.00 0.00 ATOM 1506 C LEU A 194 0.346 41.144 51.310 1.00 0.00 ATOM 1507 N GLN A 195 -0.776 40.497 51.061 1.00 0.00 ATOM 1508 CA GLN A 195 -1.263 40.174 49.729 1.00 0.00 ATOM 1509 CB GLN A 195 -2.670 39.588 49.788 1.00 0.00 ATOM 1510 CG GLN A 195 -2.788 38.076 49.902 1.00 0.00 ATOM 1511 CD GLN A 195 -4.218 37.703 50.291 1.00 0.00 ATOM 1512 OE1 GLN A 195 -5.149 38.052 49.563 1.00 0.00 ATOM 1513 NE2 GLN A 195 -4.383 37.030 51.426 1.00 0.00 ATOM 1514 O GLN A 195 -0.825 41.442 47.720 1.00 0.00 ATOM 1515 C GLN A 195 -1.319 41.405 48.837 1.00 0.00 ATOM 1516 N LEU A 196 -1.958 42.452 49.363 1.00 0.00 ATOM 1517 CA LEU A 196 -2.032 43.677 48.579 1.00 0.00 ATOM 1518 CB LEU A 196 -2.931 44.693 49.276 1.00 0.00 ATOM 1519 CG LEU A 196 -4.408 44.349 49.358 1.00 0.00 ATOM 1520 CD1 LEU A 196 -5.150 45.372 50.212 1.00 0.00 ATOM 1521 CD2 LEU A 196 -5.042 44.262 47.971 1.00 0.00 ATOM 1522 O LEU A 196 -0.350 44.839 47.331 1.00 0.00 ATOM 1523 C LEU A 196 -0.640 44.251 48.368 1.00 0.00 ATOM 1524 N LEU A 197 0.227 44.079 49.367 1.00 0.00 ATOM 1525 CA LEU A 197 1.566 44.662 49.213 1.00 0.00 ATOM 1526 CB LEU A 197 2.323 44.644 50.541 1.00 0.00 ATOM 1527 CG LEU A 197 1.776 45.527 51.665 1.00 0.00 ATOM 1528 CD1 LEU A 197 2.574 45.318 52.948 1.00 0.00 ATOM 1529 CD2 LEU A 197 1.789 46.988 51.244 1.00 0.00 ATOM 1530 O LEU A 197 2.996 44.475 47.266 1.00 0.00 ATOM 1531 C LEU A 197 2.317 43.911 48.118 1.00 0.00 ATOM 1532 N ASP A 198 2.198 42.590 48.127 1.00 0.00 ATOM 1533 CA ASP A 198 2.875 41.828 47.081 1.00 0.00 ATOM 1534 CB ASP A 198 2.668 40.336 47.318 1.00 0.00 ATOM 1535 CG ASP A 198 3.367 39.820 48.557 1.00 0.00 ATOM 1536 OD1 ASP A 198 4.425 40.383 48.904 1.00 0.00 ATOM 1537 OD2 ASP A 198 2.840 38.856 49.150 1.00 0.00 ATOM 1538 O ASP A 198 3.099 42.343 44.740 1.00 0.00 ATOM 1539 C ASP A 198 2.347 42.237 45.710 1.00 0.00 ATOM 1540 N MET A 199 1.039 42.469 45.644 1.00 0.00 ATOM 1541 CA MET A 199 0.423 42.930 44.396 1.00 0.00 ATOM 1542 CB MET A 199 -1.076 43.154 44.507 1.00 0.00 ATOM 1543 CG MET A 199 -1.954 41.908 44.441 1.00 0.00 ATOM 1544 SD MET A 199 -3.705 42.290 44.721 1.00 0.00 ATOM 1545 CE MET A 199 -4.481 40.822 44.044 1.00 0.00 ATOM 1546 O MET A 199 1.542 44.362 42.819 1.00 0.00 ATOM 1547 C MET A 199 1.151 44.204 43.975 1.00 0.00 ATOM 1548 N VAL A 200 1.375 45.118 44.922 1.00 0.00 ATOM 1549 CA VAL A 200 2.037 46.358 44.496 1.00 0.00 ATOM 1550 CB VAL A 200 2.124 47.387 45.636 1.00 0.00 ATOM 1551 CG1 VAL A 200 3.042 48.538 45.251 1.00 0.00 ATOM 1552 CG2 VAL A 200 0.725 47.890 45.966 1.00 0.00 ATOM 1553 O VAL A 200 3.913 46.647 42.996 1.00 0.00 ATOM 1554 C VAL A 200 3.431 46.076 43.968 1.00 0.00 ATOM 1555 N VAL A 201 4.120 45.167 44.638 1.00 0.00 ATOM 1556 CA VAL A 201 5.508 44.927 44.267 1.00 0.00 ATOM 1557 CB VAL A 201 6.211 44.058 45.315 1.00 0.00 ATOM 1558 CG1 VAL A 201 7.438 43.388 44.723 1.00 0.00 ATOM 1559 CG2 VAL A 201 6.600 44.893 46.526 1.00 0.00 ATOM 1560 O VAL A 201 6.563 44.384 42.170 1.00 0.00 ATOM 1561 C VAL A 201 5.585 44.255 42.902 1.00 0.00 ATOM 1562 N CYS A 202 4.530 43.534 42.574 1.00 0.00 ATOM 1563 CA CYS A 202 4.478 42.767 41.338 1.00 0.00 ATOM 1564 CB CYS A 202 3.546 41.557 41.538 1.00 0.00 ATOM 1565 SG CYS A 202 4.243 40.277 42.608 1.00 0.00 ATOM 1566 O CYS A 202 4.147 43.091 39.002 1.00 0.00 ATOM 1567 C CYS A 202 3.999 43.559 40.138 1.00 0.00 ATOM 1568 N SER A 203 3.410 44.743 40.323 1.00 0.00 ATOM 1569 CA SER A 203 2.803 45.347 39.132 1.00 0.00 ATOM 1570 CB SER A 203 1.398 45.861 39.449 1.00 0.00 ATOM 1571 OG SER A 203 1.500 47.162 39.995 1.00 0.00 ATOM 1572 O SER A 203 4.688 46.819 39.142 1.00 0.00 ATOM 1573 C SER A 203 3.667 46.459 38.561 1.00 0.00 ATOM 1574 N GLU A 204 3.233 46.963 37.416 1.00 0.00 ATOM 1575 CA GLU A 204 3.952 47.926 36.603 1.00 0.00 ATOM 1576 CB GLU A 204 3.538 47.756 35.133 1.00 0.00 ATOM 1577 O GLU A 204 4.494 50.268 36.703 1.00 0.00 ATOM 1578 C GLU A 204 3.707 49.372 37.023 1.00 0.00 ATOM 1579 N GLY A 205 2.607 49.567 37.731 1.00 0.00 ATOM 1580 CA GLY A 205 2.198 50.844 38.272 1.00 0.00 ATOM 1581 O GLY A 205 4.293 50.960 39.406 1.00 0.00 ATOM 1582 C GLY A 205 3.304 51.574 39.004 1.00 0.00 ATOM 1583 N GLU A 206 3.118 52.878 39.168 1.00 0.00 ATOM 1584 CA GLU A 206 4.047 53.696 39.944 1.00 0.00 ATOM 1585 CB GLU A 206 4.486 54.936 39.178 1.00 0.00 ATOM 1586 CG GLU A 206 5.621 55.737 39.810 1.00 0.00 ATOM 1587 CD GLU A 206 5.635 57.189 39.365 1.00 0.00 ATOM 1588 OE1 GLU A 206 5.010 57.489 38.319 1.00 0.00 ATOM 1589 OE2 GLU A 206 6.253 58.049 40.040 1.00 0.00 ATOM 1590 O GLU A 206 4.059 53.960 42.314 1.00 0.00 ATOM 1591 C GLU A 206 3.392 54.076 41.280 1.00 0.00 ATOM 1592 N VAL A 207 2.138 54.503 41.230 1.00 0.00 ATOM 1593 CA VAL A 207 1.367 54.936 42.382 1.00 0.00 ATOM 1594 CB VAL A 207 0.903 56.394 42.263 1.00 0.00 ATOM 1595 CG1 VAL A 207 0.205 56.837 43.544 1.00 0.00 ATOM 1596 CG2 VAL A 207 2.078 57.315 41.956 1.00 0.00 ATOM 1597 O VAL A 207 -0.687 53.854 41.719 1.00 0.00 ATOM 1598 C VAL A 207 0.132 54.064 42.612 1.00 0.00 ATOM 1599 N PHE A 208 0.008 53.589 43.847 1.00 0.00 ATOM 1600 CA PHE A 208 -1.029 52.695 44.287 1.00 0.00 ATOM 1601 CB PHE A 208 -0.474 51.327 44.673 1.00 0.00 ATOM 1602 CG PHE A 208 0.376 50.680 43.594 1.00 0.00 ATOM 1603 CD1 PHE A 208 1.651 51.140 43.332 1.00 0.00 ATOM 1604 CD2 PHE A 208 -0.134 49.628 42.863 1.00 0.00 ATOM 1605 CE1 PHE A 208 2.420 50.561 42.340 1.00 0.00 ATOM 1606 CE2 PHE A 208 0.625 49.039 41.867 1.00 0.00 ATOM 1607 CZ PHE A 208 1.894 49.511 41.611 1.00 0.00 ATOM 1608 O PHE A 208 -1.143 53.958 46.305 1.00 0.00 ATOM 1609 C PHE A 208 -1.776 53.272 45.497 1.00 0.00 ATOM 1610 N GLU A 209 -3.066 52.983 45.579 1.00 0.00 ATOM 1611 CA GLU A 209 -3.869 53.409 46.723 1.00 0.00 ATOM 1612 CB GLU A 209 -4.918 54.466 46.371 1.00 0.00 ATOM 1613 CG GLU A 209 -5.704 54.898 47.604 1.00 0.00 ATOM 1614 CD GLU A 209 -6.720 55.986 47.381 1.00 0.00 ATOM 1615 OE1 GLU A 209 -6.874 56.447 46.230 1.00 0.00 ATOM 1616 OE2 GLU A 209 -7.394 56.402 48.356 1.00 0.00 ATOM 1617 O GLU A 209 -5.267 51.435 46.685 1.00 0.00 ATOM 1618 C GLU A 209 -4.549 52.194 47.340 1.00 0.00 ATOM 1619 N ILE A 210 -4.301 52.016 48.639 1.00 0.00 ATOM 1620 CA ILE A 210 -5.140 51.096 49.400 1.00 0.00 ATOM 1621 CB ILE A 210 -4.292 50.179 50.294 1.00 0.00 ATOM 1622 CG1 ILE A 210 -3.485 49.113 49.563 1.00 0.00 ATOM 1623 CG2 ILE A 210 -5.193 49.559 51.358 1.00 0.00 ATOM 1624 CD1 ILE A 210 -2.279 48.621 50.352 1.00 0.00 ATOM 1625 O ILE A 210 -5.605 52.733 51.073 1.00 0.00 ATOM 1626 C ILE A 210 -6.076 51.911 50.281 1.00 0.00 ATOM 1627 N ASN A 211 -7.396 51.748 50.176 1.00 0.00 ATOM 1628 CA ASN A 211 -8.253 52.549 51.062 1.00 0.00 ATOM 1629 CB ASN A 211 -9.475 53.111 50.364 1.00 0.00 ATOM 1630 CG ASN A 211 -10.584 52.128 50.087 1.00 0.00 ATOM 1631 ND2 ASN A 211 -11.827 52.561 50.216 1.00 0.00 ATOM 1632 OD1 ASN A 211 -10.295 50.982 49.737 1.00 0.00 ATOM 1633 O ASN A 211 -8.439 50.451 52.313 1.00 0.00 ATOM 1634 C ASN A 211 -8.621 51.680 52.271 1.00 0.00 ATOM 1635 N CYS A 212 -9.124 52.373 53.298 1.00 0.00 ATOM 1636 CA CYS A 212 -9.462 51.653 54.525 1.00 0.00 ATOM 1637 CB CYS A 212 -8.205 51.308 55.319 1.00 0.00 ATOM 1638 SG CYS A 212 -7.121 52.705 55.701 1.00 0.00 ATOM 1639 O CYS A 212 -10.606 53.657 55.074 1.00 0.00 ATOM 1640 C CYS A 212 -10.415 52.489 55.379 1.00 0.00 ATOM 1641 N HIS A 213 -10.969 51.869 56.419 1.00 0.00 ATOM 1642 CA HIS A 213 -11.933 52.550 57.265 1.00 0.00 ATOM 1643 CB HIS A 213 -13.318 52.050 56.906 1.00 0.00 ATOM 1644 CG HIS A 213 -13.718 52.268 55.474 1.00 0.00 ATOM 1645 CD2 HIS A 213 -14.550 53.180 54.928 1.00 0.00 ATOM 1646 ND1 HIS A 213 -13.267 51.482 54.431 1.00 0.00 ATOM 1647 CE1 HIS A 213 -13.802 51.921 53.303 1.00 0.00 ATOM 1648 NE2 HIS A 213 -14.594 52.955 53.569 1.00 0.00 ATOM 1649 O HIS A 213 -12.462 51.847 59.541 1.00 0.00 ATOM 1650 C HIS A 213 -11.650 52.363 58.764 1.00 0.00 ATOM 1651 N PRO A 214 -10.483 52.792 59.216 1.00 0.00 ATOM 1652 CA PRO A 214 -10.190 52.716 60.656 1.00 0.00 ATOM 1653 CB PRO A 214 -8.754 53.174 60.779 1.00 0.00 ATOM 1654 CG PRO A 214 -8.376 53.803 59.481 1.00 0.00 ATOM 1655 CD PRO A 214 -9.389 53.391 58.455 1.00 0.00 ATOM 1656 O PRO A 214 -11.522 54.718 60.872 1.00 0.00 ATOM 1657 C PRO A 214 -11.108 53.691 61.397 1.00 0.00 ATOM 1658 N ALA A 215 -11.415 53.366 62.641 1.00 0.00 ATOM 1659 CA ALA A 215 -12.192 54.165 63.560 1.00 0.00 ATOM 1660 CB ALA A 215 -13.657 54.236 63.179 1.00 0.00 ATOM 1661 O ALA A 215 -11.803 52.382 65.077 1.00 0.00 ATOM 1662 C ALA A 215 -12.099 53.561 64.967 1.00 0.00 ATOM 1663 N PHE A 216 -12.345 54.414 65.950 1.00 0.00 ATOM 1664 CA PHE A 216 -12.798 54.014 67.262 1.00 0.00 ATOM 1665 CB PHE A 216 -12.304 54.927 68.379 1.00 0.00 ATOM 1666 CG PHE A 216 -10.798 55.003 68.523 1.00 0.00 ATOM 1667 CD1 PHE A 216 -9.936 53.956 68.247 1.00 0.00 ATOM 1668 CD2 PHE A 216 -10.192 56.179 68.964 1.00 0.00 ATOM 1669 CE1 PHE A 216 -8.561 54.090 68.442 1.00 0.00 ATOM 1670 CE2 PHE A 216 -8.842 56.342 69.143 1.00 0.00 ATOM 1671 CZ PHE A 216 -8.009 55.280 68.851 1.00 0.00 ATOM 1672 O PHE A 216 -14.891 54.660 66.299 1.00 0.00 ATOM 1673 C PHE A 216 -14.322 54.005 67.175 1.00 0.00 ATOM 1674 N ILE A 217 -14.974 53.292 68.069 1.00 0.00 ATOM 1675 CA ILE A 217 -16.435 53.238 68.076 1.00 0.00 ATOM 1676 CB ILE A 217 -16.972 51.832 68.395 1.00 0.00 ATOM 1677 CG1 ILE A 217 -16.449 50.697 67.522 1.00 0.00 ATOM 1678 CG2 ILE A 217 -18.495 51.832 68.333 1.00 0.00 ATOM 1679 CD1 ILE A 217 -16.089 51.086 66.112 1.00 0.00 ATOM 1680 O ILE A 217 -16.574 54.266 70.241 1.00 0.00 ATOM 1681 C ILE A 217 -17.020 54.232 69.083 1.00 0.00 ATOM 1682 N ASP A 218 -18.000 54.991 68.612 1.00 0.00 ATOM 1683 CA ASP A 218 -18.859 55.835 69.448 1.00 0.00 ATOM 1684 CB ASP A 218 -18.616 57.319 69.350 1.00 0.00 ATOM 1685 CG ASP A 218 -18.571 57.994 67.994 1.00 0.00 ATOM 1686 OD1 ASP A 218 -18.822 57.379 66.933 1.00 0.00 ATOM 1687 OD2 ASP A 218 -18.240 59.201 67.969 1.00 0.00 ATOM 1688 O ASP A 218 -20.584 54.703 68.184 1.00 0.00 ATOM 1689 C ASP A 218 -20.305 55.477 69.111 1.00 0.00 ATOM 1690 N THR A 219 -21.257 55.979 69.880 1.00 0.00 ATOM 1691 CA THR A 219 -22.640 55.654 69.526 1.00 0.00 ATOM 1692 CB THR A 219 -23.650 56.140 70.573 1.00 0.00 ATOM 1693 CG2 THR A 219 -23.405 55.479 71.920 1.00 0.00 ATOM 1694 OG1 THR A 219 -23.458 57.550 70.775 1.00 0.00 ATOM 1695 O THR A 219 -23.839 55.768 67.477 1.00 0.00 ATOM 1696 C THR A 219 -23.001 56.302 68.188 1.00 0.00 ATOM 1697 N ILE A 220 -22.381 57.442 67.892 1.00 0.00 ATOM 1698 CA ILE A 220 -22.718 58.129 66.636 1.00 0.00 ATOM 1699 CB ILE A 220 -22.028 59.484 66.508 1.00 0.00 ATOM 1700 CG1 ILE A 220 -22.300 60.401 67.714 1.00 0.00 ATOM 1701 CG2 ILE A 220 -22.405 60.223 65.234 1.00 0.00 ATOM 1702 CD1 ILE A 220 -21.039 61.119 68.118 1.00 0.00 ATOM 1703 O ILE A 220 -23.212 56.998 64.587 1.00 0.00 ATOM 1704 C ILE A 220 -22.387 57.198 65.476 1.00 0.00 ATOM 1705 N LEU A 221 -21.209 56.580 65.458 1.00 0.00 ATOM 1706 CA LEU A 221 -20.926 55.620 64.391 1.00 0.00 ATOM 1707 CB LEU A 221 -19.501 55.083 64.533 1.00 0.00 ATOM 1708 CG LEU A 221 -19.115 53.961 63.569 1.00 0.00 ATOM 1709 CD1 LEU A 221 -19.258 54.398 62.124 1.00 0.00 ATOM 1710 CD2 LEU A 221 -17.696 53.493 63.869 1.00 0.00 ATOM 1711 O LEU A 221 -22.464 54.072 63.359 1.00 0.00 ATOM 1712 C LEU A 221 -21.928 54.478 64.395 1.00 0.00 ATOM 1713 N GLN A 222 -22.201 53.931 65.583 1.00 0.00 ATOM 1714 CA GLN A 222 -23.142 52.813 65.683 1.00 0.00 ATOM 1715 CB GLN A 222 -23.344 52.450 67.146 1.00 0.00 ATOM 1716 CG GLN A 222 -22.374 51.492 67.800 1.00 0.00 ATOM 1717 CD GLN A 222 -23.082 50.806 68.972 1.00 0.00 ATOM 1718 OE1 GLN A 222 -23.824 51.473 69.694 1.00 0.00 ATOM 1719 NE2 GLN A 222 -22.861 49.510 69.126 1.00 0.00 ATOM 1720 O GLN A 222 -25.233 52.284 64.574 1.00 0.00 ATOM 1721 C GLN A 222 -24.516 53.140 65.104 1.00 0.00 ATOM 1722 N ASN A 223 -24.908 54.394 65.247 1.00 0.00 ATOM 1723 CA ASN A 223 -26.223 54.856 64.851 1.00 0.00 ATOM 1724 CB ASN A 223 -26.521 56.212 65.473 1.00 0.00 ATOM 1725 CG ASN A 223 -26.811 56.130 66.977 1.00 0.00 ATOM 1726 ND2 ASN A 223 -26.812 57.295 67.613 1.00 0.00 ATOM 1727 OD1 ASN A 223 -27.022 55.063 67.530 1.00 0.00 ATOM 1728 O ASN A 223 -27.409 54.894 62.773 1.00 0.00 ATOM 1729 C ASN A 223 -26.321 54.984 63.324 1.00 0.00 ATOM 1730 N GLN A 224 -25.161 55.215 62.714 1.00 0.00 ATOM 1731 CA GLN A 224 -25.058 55.763 61.383 1.00 0.00 ATOM 1732 CB GLN A 224 -24.229 57.077 61.425 1.00 0.00 ATOM 1733 CG GLN A 224 -25.179 58.241 61.116 1.00 0.00 ATOM 1734 CD GLN A 224 -25.567 58.156 59.647 1.00 0.00 ATOM 1735 OE1 GLN A 224 -26.701 57.912 59.255 1.00 0.00 ATOM 1736 NE2 GLN A 224 -24.587 58.320 58.773 1.00 0.00 ATOM 1737 O GLN A 224 -24.771 55.020 59.165 1.00 0.00 ATOM 1738 C GLN A 224 -24.443 54.847 60.346 1.00 0.00 ATOM 1739 N SER A 225 -23.586 53.930 60.791 1.00 0.00 ATOM 1740 CA SER A 225 -23.066 52.984 59.828 1.00 0.00 ATOM 1741 CB SER A 225 -21.552 53.242 59.626 1.00 0.00 ATOM 1742 OG SER A 225 -21.307 52.917 58.266 1.00 0.00 ATOM 1743 O SER A 225 -22.794 51.059 61.244 1.00 0.00 ATOM 1744 C SER A 225 -23.192 51.513 60.177 1.00 0.00 ATOM 1745 N GLY A 226 -23.704 50.758 59.198 1.00 0.00 ATOM 1746 CA GLY A 226 -23.691 49.317 59.299 1.00 0.00 ATOM 1747 O GLY A 226 -22.186 47.597 59.815 1.00 0.00 ATOM 1748 C GLY A 226 -22.301 48.713 59.320 1.00 0.00 ATOM 1749 N TYR A 227 -21.279 49.409 58.826 1.00 0.00 ATOM 1750 CA TYR A 227 -19.896 48.967 58.951 1.00 0.00 ATOM 1751 CB TYR A 227 -19.040 49.303 57.728 1.00 0.00 ATOM 1752 CG TYR A 227 -17.696 48.603 57.673 1.00 0.00 ATOM 1753 CD1 TYR A 227 -17.583 47.222 57.748 1.00 0.00 ATOM 1754 CD2 TYR A 227 -16.500 49.300 57.543 1.00 0.00 ATOM 1755 CE1 TYR A 227 -16.361 46.562 57.701 1.00 0.00 ATOM 1756 CE2 TYR A 227 -15.275 48.664 57.491 1.00 0.00 ATOM 1757 CZ TYR A 227 -15.200 47.291 57.566 1.00 0.00 ATOM 1758 OH TYR A 227 -13.989 46.644 57.525 1.00 0.00 ATOM 1759 O TYR A 227 -18.813 50.763 60.131 1.00 0.00 ATOM 1760 C TYR A 227 -19.292 49.631 60.191 1.00 0.00 ATOM 1761 N CYS A 228 -19.346 48.911 61.298 1.00 0.00 ATOM 1762 CA CYS A 228 -19.003 49.534 62.584 1.00 0.00 ATOM 1763 CB CYS A 228 -20.282 49.576 63.428 1.00 0.00 ATOM 1764 SG CYS A 228 -20.096 50.448 65.003 1.00 0.00 ATOM 1765 O CYS A 228 -16.720 49.220 63.268 1.00 0.00 ATOM 1766 C CYS A 228 -17.882 48.809 63.297 1.00 0.00 ATOM 1767 N MET A 229 -18.169 47.676 63.952 1.00 0.00 ATOM 1768 CA MET A 229 -17.152 47.012 64.764 1.00 0.00 ATOM 1769 CB MET A 229 -17.775 45.802 65.463 1.00 0.00 ATOM 1770 CG MET A 229 -18.779 46.059 66.563 1.00 0.00 ATOM 1771 SD MET A 229 -18.475 47.356 67.781 1.00 0.00 ATOM 1772 CE MET A 229 -17.084 46.677 68.692 1.00 0.00 ATOM 1773 O MET A 229 -14.828 46.664 64.635 1.00 0.00 ATOM 1774 C MET A 229 -15.906 46.615 63.996 1.00 0.00 ATOM 1775 N PRO A 230 -15.859 46.223 62.735 1.00 0.00 ATOM 1776 CA PRO A 230 -14.557 45.876 62.137 1.00 0.00 ATOM 1777 CB PRO A 230 -14.921 45.429 60.714 1.00 0.00 ATOM 1778 CG PRO A 230 -16.359 45.012 60.828 1.00 0.00 ATOM 1779 CD PRO A 230 -16.948 46.048 61.757 1.00 0.00 ATOM 1780 O PRO A 230 -12.366 46.858 61.906 1.00 0.00 ATOM 1781 C PRO A 230 -13.578 47.049 62.032 1.00 0.00 ATOM 1782 N ARG A 231 -14.099 48.264 62.114 1.00 0.00 ATOM 1783 CA ARG A 231 -13.205 49.416 61.950 1.00 0.00 ATOM 1784 CB ARG A 231 -13.987 50.712 61.918 1.00 0.00 ATOM 1785 CG ARG A 231 -15.105 50.848 60.903 1.00 0.00 ATOM 1786 CD ARG A 231 -15.345 52.340 60.620 1.00 0.00 ATOM 1787 NE ARG A 231 -16.510 52.486 59.767 1.00 0.00 ATOM 1788 CZ ARG A 231 -16.760 53.383 58.845 1.00 0.00 ATOM 1789 NH1 ARG A 231 -15.934 54.360 58.543 1.00 0.00 ATOM 1790 NH2 ARG A 231 -17.914 53.294 58.192 1.00 0.00 ATOM 1791 O ARG A 231 -11.043 49.938 62.861 1.00 0.00 ATOM 1792 C ARG A 231 -12.158 49.449 63.056 1.00 0.00 ATOM 1793 N ILE A 232 -12.472 48.906 64.251 1.00 0.00 ATOM 1794 CA ILE A 232 -11.409 48.908 65.263 1.00 0.00 ATOM 1795 CB ILE A 232 -11.966 48.664 66.678 1.00 0.00 ATOM 1796 CG1 ILE A 232 -12.740 47.359 66.917 1.00 0.00 ATOM 1797 CG2 ILE A 232 -12.841 49.838 67.113 1.00 0.00 ATOM 1798 CD1 ILE A 232 -12.894 47.086 68.415 1.00 0.00 ATOM 1799 O ILE A 232 -9.153 48.103 65.242 1.00 0.00 ATOM 1800 C ILE A 232 -10.334 47.897 64.919 1.00 0.00 ATOM 1801 N ARG A 233 -10.726 46.793 64.242 1.00 0.00 ATOM 1802 CA ARG A 233 -9.764 45.758 63.899 1.00 0.00 ATOM 1803 CB ARG A 233 -10.413 44.491 63.333 1.00 0.00 ATOM 1804 CG ARG A 233 -11.251 43.678 64.287 1.00 0.00 ATOM 1805 O ARG A 233 -7.583 45.948 62.911 1.00 0.00 ATOM 1806 C ARG A 233 -8.755 46.305 62.888 1.00 0.00 ATOM 1807 N GLU A 234 -9.249 47.175 62.012 1.00 0.00 ATOM 1808 CA GLU A 234 -8.415 47.854 61.024 1.00 0.00 ATOM 1809 CB GLU A 234 -9.274 48.707 60.078 1.00 0.00 ATOM 1810 CG GLU A 234 -10.302 47.920 59.275 1.00 0.00 ATOM 1811 CD GLU A 234 -10.830 48.687 58.067 1.00 0.00 ATOM 1812 OE1 GLU A 234 -10.121 49.571 57.559 1.00 0.00 ATOM 1813 OE2 GLU A 234 -11.965 48.380 57.648 1.00 0.00 ATOM 1814 O GLU A 234 -6.217 48.761 61.284 1.00 0.00 ATOM 1815 C GLU A 234 -7.370 48.724 61.698 1.00 0.00 ATOM 1816 N VAL A 235 -7.794 49.466 62.742 1.00 0.00 ATOM 1817 CA VAL A 235 -6.797 50.244 63.472 1.00 0.00 ATOM 1818 CB VAL A 235 -7.370 50.992 64.682 1.00 0.00 ATOM 1819 CG1 VAL A 235 -6.235 51.749 65.370 1.00 0.00 ATOM 1820 CG2 VAL A 235 -8.473 51.951 64.278 1.00 0.00 ATOM 1821 O VAL A 235 -4.500 49.598 63.877 1.00 0.00 ATOM 1822 C VAL A 235 -5.697 49.317 63.972 1.00 0.00 ATOM 1823 N GLU A 236 -6.164 48.171 64.479 1.00 0.00 ATOM 1824 CA GLU A 236 -5.177 47.284 65.093 1.00 0.00 ATOM 1825 CB GLU A 236 -5.917 46.126 65.764 1.00 0.00 ATOM 1826 CG GLU A 236 -5.021 45.150 66.481 1.00 0.00 ATOM 1827 CD GLU A 236 -5.793 43.999 67.110 1.00 0.00 ATOM 1828 OE1 GLU A 236 -6.875 43.608 66.624 1.00 0.00 ATOM 1829 OE2 GLU A 236 -5.267 43.495 68.128 1.00 0.00 ATOM 1830 O GLU A 236 -2.970 46.796 64.256 1.00 0.00 ATOM 1831 C GLU A 236 -4.177 46.823 64.054 1.00 0.00 ATOM 1832 N ILE A 237 -4.717 46.437 62.897 1.00 0.00 ATOM 1833 CA ILE A 237 -3.825 45.900 61.860 1.00 0.00 ATOM 1834 CB ILE A 237 -4.657 45.219 60.756 1.00 0.00 ATOM 1835 CG1 ILE A 237 -5.287 43.908 61.208 1.00 0.00 ATOM 1836 CG2 ILE A 237 -3.807 45.044 59.506 1.00 0.00 ATOM 1837 CD1 ILE A 237 -6.559 43.524 60.521 1.00 0.00 ATOM 1838 O ILE A 237 -1.762 46.832 61.069 1.00 0.00 ATOM 1839 C ILE A 237 -2.958 46.996 61.279 1.00 0.00 ATOM 1840 N LEU A 238 -3.542 48.167 61.017 1.00 0.00 ATOM 1841 CA LEU A 238 -2.747 49.242 60.422 1.00 0.00 ATOM 1842 CB LEU A 238 -3.656 50.374 59.916 1.00 0.00 ATOM 1843 CG LEU A 238 -4.647 49.929 58.828 1.00 0.00 ATOM 1844 CD1 LEU A 238 -5.704 50.985 58.576 1.00 0.00 ATOM 1845 CD2 LEU A 238 -3.876 49.599 57.555 1.00 0.00 ATOM 1846 O LEU A 238 -0.795 50.530 60.891 1.00 0.00 ATOM 1847 C LEU A 238 -1.692 49.831 61.353 1.00 0.00 ATOM 1848 N THR A 239 -1.756 49.561 62.655 1.00 0.00 ATOM 1849 CA THR A 239 -0.748 50.039 63.588 1.00 0.00 ATOM 1850 CB THR A 239 -1.406 50.664 64.841 1.00 0.00 ATOM 1851 CG2 THR A 239 -2.347 51.785 64.474 1.00 0.00 ATOM 1852 OG1 THR A 239 -2.187 49.645 65.468 1.00 0.00 ATOM 1853 O THR A 239 1.048 49.141 64.906 1.00 0.00 ATOM 1854 C THR A 239 0.186 48.920 64.043 1.00 0.00 ATOM 1855 N SER A 240 0.042 47.725 63.470 1.00 0.00 ATOM 1856 CA SER A 240 0.872 46.589 63.853 1.00 0.00 ATOM 1857 CB SER A 240 0.208 45.276 63.424 1.00 0.00 ATOM 1858 OG SER A 240 0.172 45.071 62.022 1.00 0.00 ATOM 1859 O SER A 240 2.568 47.194 62.237 1.00 0.00 ATOM 1860 C SER A 240 2.290 46.674 63.315 1.00 0.00 ATOM 1861 N GLN A 241 3.245 46.152 64.098 1.00 0.00 ATOM 1862 CA GLN A 241 4.629 46.060 63.676 1.00 0.00 ATOM 1863 CB GLN A 241 5.478 45.433 64.794 1.00 0.00 ATOM 1864 CG GLN A 241 6.976 45.577 64.523 1.00 0.00 ATOM 1865 CD GLN A 241 7.562 46.680 65.391 1.00 0.00 ATOM 1866 OE1 GLN A 241 7.764 46.454 66.585 1.00 0.00 ATOM 1867 NE2 GLN A 241 7.833 47.841 64.801 1.00 0.00 ATOM 1868 O GLN A 241 5.655 45.548 61.574 1.00 0.00 ATOM 1869 C GLN A 241 4.806 45.232 62.407 1.00 0.00 ATOM 1870 N GLU A 242 4.018 44.175 62.265 1.00 0.00 ATOM 1871 CA GLU A 242 4.102 43.300 61.104 1.00 0.00 ATOM 1872 CB GLU A 242 3.113 42.138 61.225 1.00 0.00 ATOM 1873 CG GLU A 242 3.223 41.195 60.031 1.00 0.00 ATOM 1874 CD GLU A 242 2.397 39.933 60.211 1.00 0.00 ATOM 1875 OE1 GLU A 242 1.642 39.870 61.206 1.00 0.00 ATOM 1876 OE2 GLU A 242 2.506 39.017 59.367 1.00 0.00 ATOM 1877 O GLU A 242 4.476 43.919 58.804 1.00 0.00 ATOM 1878 C GLU A 242 3.800 44.058 59.822 1.00 0.00 ATOM 1879 N VAL A 243 2.758 44.888 59.886 1.00 0.00 ATOM 1880 CA VAL A 243 2.429 45.663 58.691 1.00 0.00 ATOM 1881 CB VAL A 243 1.085 46.396 58.872 1.00 0.00 ATOM 1882 CG1 VAL A 243 0.858 47.329 57.695 1.00 0.00 ATOM 1883 CG2 VAL A 243 -0.015 45.364 59.047 1.00 0.00 ATOM 1884 O VAL A 243 3.979 46.688 57.211 1.00 0.00 ATOM 1885 C VAL A 243 3.532 46.641 58.359 1.00 0.00 ATOM 1886 N LYS A 244 4.000 47.416 59.342 1.00 0.00 ATOM 1887 CA LYS A 244 5.088 48.353 59.078 1.00 0.00 ATOM 1888 CB LYS A 244 5.477 49.111 60.353 1.00 0.00 ATOM 1889 CG LYS A 244 4.352 50.042 60.800 1.00 0.00 ATOM 1890 CD LYS A 244 4.693 50.722 62.116 1.00 0.00 ATOM 1891 CE LYS A 244 3.466 51.403 62.705 1.00 0.00 ATOM 1892 NZ LYS A 244 3.244 51.040 64.134 1.00 0.00 ATOM 1893 O LYS A 244 6.861 48.106 57.504 1.00 0.00 ATOM 1894 C LYS A 244 6.303 47.636 58.498 1.00 0.00 ATOM 1895 N GLU A 245 6.691 46.515 59.098 1.00 0.00 ATOM 1896 CA GLU A 245 7.850 45.772 58.594 1.00 0.00 ATOM 1897 CB GLU A 245 8.163 44.587 59.524 1.00 0.00 ATOM 1898 CG GLU A 245 8.992 45.039 60.725 1.00 0.00 ATOM 1899 CD GLU A 245 9.095 44.031 61.846 1.00 0.00 ATOM 1900 OE1 GLU A 245 8.697 42.863 61.645 1.00 0.00 ATOM 1901 OE2 GLU A 245 9.591 44.446 62.923 1.00 0.00 ATOM 1902 O GLU A 245 8.584 45.349 56.355 1.00 0.00 ATOM 1903 C GLU A 245 7.644 45.301 57.158 1.00 0.00 ATOM 1904 N ALA A 246 6.441 44.857 56.820 1.00 0.00 ATOM 1905 CA ALA A 246 6.166 44.325 55.483 1.00 0.00 ATOM 1906 CB ALA A 246 4.743 43.821 55.360 1.00 0.00 ATOM 1907 O ALA A 246 7.012 45.103 53.354 1.00 0.00 ATOM 1908 C ALA A 246 6.416 45.370 54.406 1.00 0.00 ATOM 1909 N ILE A 247 5.946 46.591 54.667 1.00 0.00 ATOM 1910 CA ILE A 247 6.153 47.654 53.667 1.00 0.00 ATOM 1911 CB ILE A 247 5.348 48.893 54.092 1.00 0.00 ATOM 1912 CG1 ILE A 247 3.855 48.717 53.763 1.00 0.00 ATOM 1913 CG2 ILE A 247 5.898 50.189 53.527 1.00 0.00 ATOM 1914 CD1 ILE A 247 2.907 49.352 54.754 1.00 0.00 ATOM 1915 O ILE A 247 8.188 48.045 52.417 1.00 0.00 ATOM 1916 C ILE A 247 7.642 47.904 53.515 1.00 0.00 ATOM 1917 N GLU A 248 8.320 47.902 54.666 1.00 0.00 ATOM 1918 CA GLU A 248 9.768 48.010 54.731 1.00 0.00 ATOM 1919 CB GLU A 248 10.257 47.905 56.183 1.00 0.00 ATOM 1920 CG GLU A 248 9.774 48.994 57.113 1.00 0.00 ATOM 1921 CD GLU A 248 10.707 49.362 58.246 1.00 0.00 ATOM 1922 OE1 GLU A 248 11.899 48.987 58.226 1.00 0.00 ATOM 1923 OE2 GLU A 248 10.234 50.055 59.181 1.00 0.00 ATOM 1924 O GLU A 248 11.256 47.286 52.992 1.00 0.00 ATOM 1925 C GLU A 248 10.465 46.949 53.875 1.00 0.00 ATOM 1926 N GLU A 249 10.178 45.682 54.127 1.00 0.00 ATOM 1927 CA GLU A 249 10.799 44.544 53.464 1.00 0.00 ATOM 1928 CB GLU A 249 10.217 43.236 54.006 1.00 0.00 ATOM 1929 CG GLU A 249 9.962 42.121 53.013 1.00 0.00 ATOM 1930 O GLU A 249 11.371 43.980 51.193 1.00 0.00 ATOM 1931 C GLU A 249 10.620 44.598 51.950 1.00 0.00 ATOM 1932 N ARG A 250 9.589 45.318 51.517 1.00 0.00 ATOM 1933 CA ARG A 250 9.296 45.329 50.085 1.00 0.00 ATOM 1934 CB ARG A 250 7.803 45.155 49.832 1.00 0.00 ATOM 1935 CG ARG A 250 7.323 43.722 49.998 1.00 0.00 ATOM 1936 CD ARG A 250 5.820 43.657 50.050 1.00 0.00 ATOM 1937 NE ARG A 250 5.256 42.349 50.308 1.00 0.00 ATOM 1938 CZ ARG A 250 5.353 41.647 51.429 1.00 0.00 ATOM 1939 NH1 ARG A 250 6.021 42.113 52.471 1.00 0.00 ATOM 1940 NH2 ARG A 250 4.776 40.457 51.515 1.00 0.00 ATOM 1941 O ARG A 250 9.516 46.814 48.255 1.00 0.00 ATOM 1942 C ARG A 250 9.778 46.618 49.439 1.00 0.00 ATOM 1943 N GLY A 251 10.460 47.466 50.202 1.00 0.00 ATOM 1944 CA GLY A 251 10.988 48.712 49.688 1.00 0.00 ATOM 1945 O GLY A 251 10.212 50.709 48.642 1.00 0.00 ATOM 1946 C GLY A 251 9.913 49.713 49.321 1.00 0.00 ATOM 1947 N ILE A 252 8.669 49.511 49.749 1.00 0.00 ATOM 1948 CA ILE A 252 7.594 50.407 49.321 1.00 0.00 ATOM 1949 CB ILE A 252 6.217 49.734 49.505 1.00 0.00 ATOM 1950 CG1 ILE A 252 6.118 48.466 48.658 1.00 0.00 ATOM 1951 CG2 ILE A 252 5.065 50.686 49.242 1.00 0.00 ATOM 1952 CD1 ILE A 252 4.986 47.529 48.936 1.00 0.00 ATOM 1953 O ILE A 252 7.879 51.783 51.262 1.00 0.00 ATOM 1954 C ILE A 252 7.650 51.745 50.055 1.00 0.00 ATOM 1955 N LEU A 253 7.444 52.809 49.289 1.00 0.00 ATOM 1956 CA LEU A 253 7.442 54.184 49.761 1.00 0.00 ATOM 1957 CB LEU A 253 7.895 55.198 48.710 1.00 0.00 ATOM 1958 CG LEU A 253 9.353 55.175 48.256 1.00 0.00 ATOM 1959 CD1 LEU A 253 9.606 56.235 47.196 1.00 0.00 ATOM 1960 CD2 LEU A 253 10.268 55.326 49.463 1.00 0.00 ATOM 1961 O LEU A 253 5.119 54.523 49.374 1.00 0.00 ATOM 1962 C LEU A 253 6.041 54.591 50.194 1.00 0.00 ATOM 1963 N LEU A 254 5.867 55.008 51.455 1.00 0.00 ATOM 1964 CA LEU A 254 4.510 55.428 51.831 1.00 0.00 ATOM 1965 CB LEU A 254 4.253 55.193 53.325 1.00 0.00 ATOM 1966 CG LEU A 254 3.953 53.751 53.733 1.00 0.00 ATOM 1967 CD1 LEU A 254 3.899 53.619 55.259 1.00 0.00 ATOM 1968 CD2 LEU A 254 2.642 53.261 53.121 1.00 0.00 ATOM 1969 O LEU A 254 4.933 57.780 52.012 1.00 0.00 ATOM 1970 C LEU A 254 4.281 56.887 51.486 1.00 0.00 ATOM 1971 N ALA A 255 3.308 57.124 50.607 1.00 0.00 ATOM 1972 CA ALA A 255 3.065 58.440 50.059 1.00 0.00 ATOM 1973 CB ALA A 255 3.376 58.359 48.556 1.00 0.00 ATOM 1974 O ALA A 255 0.775 58.297 50.815 1.00 0.00 ATOM 1975 C ALA A 255 1.654 58.949 50.257 1.00 0.00 ATOM 1976 N ASN A 256 1.416 60.153 49.744 1.00 0.00 ATOM 1977 CA ASN A 256 0.099 60.780 49.809 1.00 0.00 ATOM 1978 CB ASN A 256 0.006 61.799 50.943 1.00 0.00 ATOM 1979 CG ASN A 256 1.086 62.856 50.884 1.00 0.00 ATOM 1980 ND2 ASN A 256 1.682 63.102 52.046 1.00 0.00 ATOM 1981 OD1 ASN A 256 1.367 63.423 49.822 1.00 0.00 ATOM 1982 O ASN A 256 0.656 61.237 47.564 1.00 0.00 ATOM 1983 C ASN A 256 -0.196 61.407 48.449 1.00 0.00 ATOM 1984 N TYR A 257 -1.342 62.043 48.276 1.00 0.00 ATOM 1985 CA TYR A 257 -1.683 62.594 46.955 1.00 0.00 ATOM 1986 CB TYR A 257 -3.185 62.895 46.850 1.00 0.00 ATOM 1987 CG TYR A 257 -4.057 61.747 46.392 1.00 0.00 ATOM 1988 CD1 TYR A 257 -4.450 60.718 47.223 1.00 0.00 ATOM 1989 CD2 TYR A 257 -4.522 61.680 45.078 1.00 0.00 ATOM 1990 CE1 TYR A 257 -5.248 59.658 46.821 1.00 0.00 ATOM 1991 CE2 TYR A 257 -5.320 60.638 44.663 1.00 0.00 ATOM 1992 CZ TYR A 257 -5.696 59.622 45.506 1.00 0.00 ATOM 1993 OH TYR A 257 -6.496 58.607 45.057 1.00 0.00 ATOM 1994 O TYR A 257 -1.058 64.367 45.487 1.00 0.00 ATOM 1995 C TYR A 257 -0.878 63.823 46.587 1.00 0.00 ATOM 1996 N GLU A 258 0.035 64.335 47.411 1.00 0.00 ATOM 1997 CA GLU A 258 0.981 65.354 46.994 1.00 0.00 ATOM 1998 CB GLU A 258 1.924 65.802 48.120 1.00 0.00 ATOM 1999 CG GLU A 258 1.305 66.659 49.208 1.00 0.00 ATOM 2000 CD GLU A 258 0.686 67.950 48.704 1.00 0.00 ATOM 2001 OE1 GLU A 258 1.165 68.530 47.696 1.00 0.00 ATOM 2002 OE2 GLU A 258 -0.310 68.402 49.317 1.00 0.00 ATOM 2003 O GLU A 258 2.418 65.575 45.068 1.00 0.00 ATOM 2004 C GLU A 258 1.852 64.815 45.848 1.00 0.00 ATOM 2005 N SER A 259 1.970 63.505 45.738 1.00 0.00 ATOM 2006 CA SER A 259 2.730 62.811 44.716 1.00 0.00 ATOM 2007 CB SER A 259 2.956 61.351 45.095 1.00 0.00 ATOM 2008 OG SER A 259 1.745 60.614 45.005 1.00 0.00 ATOM 2009 O SER A 259 2.606 62.477 42.333 1.00 0.00 ATOM 2010 C SER A 259 2.021 62.854 43.355 1.00 0.00 ATOM 2011 N LEU A 260 0.785 63.326 43.363 1.00 0.00 ATOM 2012 CA LEU A 260 -0.079 63.444 42.202 1.00 0.00 ATOM 2013 CB LEU A 260 -1.269 62.482 42.330 1.00 0.00 ATOM 2014 CG LEU A 260 -0.936 60.987 42.321 1.00 0.00 ATOM 2015 CD1 LEU A 260 -2.178 60.177 42.664 1.00 0.00 ATOM 2016 CD2 LEU A 260 -0.333 60.576 40.982 1.00 0.00 ATOM 2017 O LEU A 260 -1.643 65.019 41.313 1.00 0.00 ATOM 2018 C LEU A 260 -0.630 64.847 41.989 1.00 0.00 ATOM 2019 N ALA A 261 0.027 65.857 42.535 1.00 0.00 ATOM 2020 CA ALA A 261 -0.366 67.236 42.428 1.00 0.00 ATOM 2021 CB ALA A 261 0.477 68.129 43.303 1.00 0.00 ATOM 2022 O ALA A 261 0.682 67.294 40.273 1.00 0.00 ATOM 2023 C ALA A 261 -0.262 67.687 40.961 1.00 0.00 ATOM 2024 N MET A 262 -1.249 68.462 40.596 1.00 0.00 ATOM 2025 CA MET A 262 -1.531 68.971 39.265 1.00 0.00 ATOM 2026 CB MET A 262 -3.057 68.934 39.040 1.00 0.00 ATOM 2027 CG MET A 262 -3.391 67.533 38.508 1.00 0.00 ATOM 2028 SD MET A 262 -5.097 67.074 38.720 1.00 0.00 ATOM 2029 CE MET A 262 -5.925 68.078 37.498 1.00 0.00 ATOM 2030 O MET A 262 -1.275 71.387 39.601 1.00 0.00 ATOM 2031 C MET A 262 -0.964 70.351 38.995 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_2070468622.pdb -s /var/tmp/to_scwrl_2070468622.seq -o /var/tmp/from_scwrl_2070468622.pdb > /var/tmp/scwrl_2070468622.log sh: /var/tmp/scwrl_2070468622.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2070468622.pdb or /var/tmp/from_scwrl_2070468622.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_2070468622_b.pdb or /var/tmp/from_scwrl_2070468622_b.pdb.gz for input Trying /var/tmp/from_scwrl_2070468622_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2070468622_b.pdb or /var/tmp/from_scwrl_2070468622_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_2070468622_a.pdb or /var/tmp/from_scwrl_2070468622_a.pdb.gz for input Trying /var/tmp/from_scwrl_2070468622_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2070468622_a.pdb or /var/tmp/from_scwrl_2070468622_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2070468622.pdb or /var/tmp/from_scwrl_2070468622_b.pdb or /var/tmp/from_scwrl_2070468622_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 242 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model2.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -35.288 # GDT_score(maxd=8.000,maxw=2.900)= -33.806 # GDT_score(maxd=8.000,maxw=3.200)= -31.417 # GDT_score(maxd=8.000,maxw=3.500)= -29.281 # GDT_score(maxd=10.000,maxw=3.800)= -33.233 # GDT_score(maxd=10.000,maxw=4.000)= -31.841 # GDT_score(maxd=10.000,maxw=4.200)= -30.529 # GDT_score(maxd=12.000,maxw=4.300)= -34.524 # GDT_score(maxd=12.000,maxw=4.500)= -33.178 # GDT_score(maxd=12.000,maxw=4.700)= -31.946 # GDT_score(maxd=14.000,maxw=5.200)= -32.691 # GDT_score(maxd=14.000,maxw=5.500)= -31.139 # command:# request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1179304069.pdb -s /var/tmp/to_scwrl_1179304069.seq -o /var/tmp/from_scwrl_1179304069.pdb > /var/tmp/scwrl_1179304069.log sh: /var/tmp/scwrl_1179304069.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1179304069.pdb or /var/tmp/from_scwrl_1179304069.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1179304069_b.pdb or /var/tmp/from_scwrl_1179304069_b.pdb.gz for input Trying /var/tmp/from_scwrl_1179304069_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1179304069_b.pdb or /var/tmp/from_scwrl_1179304069_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1179304069_a.pdb or /var/tmp/from_scwrl_1179304069_a.pdb.gz for input Trying /var/tmp/from_scwrl_1179304069_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1179304069_a.pdb or /var/tmp/from_scwrl_1179304069_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1179304069.pdb or /var/tmp/from_scwrl_1179304069_b.pdb or /var/tmp/from_scwrl_1179304069_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 242 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model3.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -36.731 # GDT_score(maxd=8.000,maxw=2.900)= -35.517 # GDT_score(maxd=8.000,maxw=3.200)= -32.944 # GDT_score(maxd=8.000,maxw=3.500)= -30.652 # GDT_score(maxd=10.000,maxw=3.800)= -34.619 # GDT_score(maxd=10.000,maxw=4.000)= -33.176 # GDT_score(maxd=10.000,maxw=4.200)= -31.871 # GDT_score(maxd=12.000,maxw=4.300)= -35.808 # GDT_score(maxd=12.000,maxw=4.500)= -34.473 # GDT_score(maxd=12.000,maxw=4.700)= -33.252 # GDT_score(maxd=14.000,maxw=5.200)= -33.954 # GDT_score(maxd=14.000,maxw=5.500)= -32.372 # command:# request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1212539795.pdb -s /var/tmp/to_scwrl_1212539795.seq -o /var/tmp/from_scwrl_1212539795.pdb > /var/tmp/scwrl_1212539795.log sh: /var/tmp/scwrl_1212539795.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1212539795.pdb or /var/tmp/from_scwrl_1212539795.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1212539795_b.pdb or /var/tmp/from_scwrl_1212539795_b.pdb.gz for input Trying /var/tmp/from_scwrl_1212539795_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1212539795_b.pdb or /var/tmp/from_scwrl_1212539795_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1212539795_a.pdb or /var/tmp/from_scwrl_1212539795_a.pdb.gz for input Trying /var/tmp/from_scwrl_1212539795_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1212539795_a.pdb or /var/tmp/from_scwrl_1212539795_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1212539795.pdb or /var/tmp/from_scwrl_1212539795_b.pdb or /var/tmp/from_scwrl_1212539795_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 242 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model4.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -36.250 # GDT_score(maxd=8.000,maxw=2.900)= -35.056 # GDT_score(maxd=8.000,maxw=3.200)= -32.598 # GDT_score(maxd=8.000,maxw=3.500)= -30.411 # GDT_score(maxd=10.000,maxw=3.800)= -34.267 # GDT_score(maxd=10.000,maxw=4.000)= -32.888 # GDT_score(maxd=10.000,maxw=4.200)= -31.603 # GDT_score(maxd=12.000,maxw=4.300)= -35.487 # GDT_score(maxd=12.000,maxw=4.500)= -34.169 # GDT_score(maxd=12.000,maxw=4.700)= -32.960 # GDT_score(maxd=14.000,maxw=5.200)= -33.662 # GDT_score(maxd=14.000,maxw=5.500)= -32.085 # command:# request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1233994106.pdb -s /var/tmp/to_scwrl_1233994106.seq -o /var/tmp/from_scwrl_1233994106.pdb > /var/tmp/scwrl_1233994106.log sh: /var/tmp/scwrl_1233994106.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1233994106.pdb or /var/tmp/from_scwrl_1233994106.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1233994106_b.pdb or /var/tmp/from_scwrl_1233994106_b.pdb.gz for input Trying /var/tmp/from_scwrl_1233994106_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1233994106_b.pdb or /var/tmp/from_scwrl_1233994106_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1233994106_a.pdb or /var/tmp/from_scwrl_1233994106_a.pdb.gz for input Trying /var/tmp/from_scwrl_1233994106_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1233994106_a.pdb or /var/tmp/from_scwrl_1233994106_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1233994106.pdb or /var/tmp/from_scwrl_1233994106_b.pdb or /var/tmp/from_scwrl_1233994106_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 259 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model5.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -30.481 # GDT_score(maxd=8.000,maxw=2.900)= -27.588 # GDT_score(maxd=8.000,maxw=3.200)= -25.630 # GDT_score(maxd=8.000,maxw=3.500)= -23.940 # GDT_score(maxd=10.000,maxw=3.800)= -28.153 # GDT_score(maxd=10.000,maxw=4.000)= -27.031 # GDT_score(maxd=10.000,maxw=4.200)= -25.998 # GDT_score(maxd=12.000,maxw=4.300)= -30.183 # GDT_score(maxd=12.000,maxw=4.500)= -29.075 # GDT_score(maxd=12.000,maxw=4.700)= -28.051 # GDT_score(maxd=14.000,maxw=5.200)= -29.469 # GDT_score(maxd=14.000,maxw=5.500)= -28.079 # command:# request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_728691400.pdb -s /var/tmp/to_scwrl_728691400.seq -o /var/tmp/from_scwrl_728691400.pdb > /var/tmp/scwrl_728691400.log sh: /var/tmp/scwrl_728691400.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_728691400.pdb or /var/tmp/from_scwrl_728691400.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_728691400_b.pdb or /var/tmp/from_scwrl_728691400_b.pdb.gz for input Trying /var/tmp/from_scwrl_728691400_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_728691400_b.pdb or /var/tmp/from_scwrl_728691400_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_728691400_a.pdb or /var/tmp/from_scwrl_728691400_a.pdb.gz for input Trying /var/tmp/from_scwrl_728691400_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_728691400_a.pdb or /var/tmp/from_scwrl_728691400_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_728691400.pdb or /var/tmp/from_scwrl_728691400_b.pdb or /var/tmp/from_scwrl_728691400_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 T0325.try1-opt2.pdb looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/try1.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -34.712 # GDT_score(maxd=8.000,maxw=2.900)= -34.228 # GDT_score(maxd=8.000,maxw=3.200)= -31.810 # GDT_score(maxd=8.000,maxw=3.500)= -29.636 # GDT_score(maxd=10.000,maxw=3.800)= -33.196 # GDT_score(maxd=10.000,maxw=4.000)= -31.795 # GDT_score(maxd=10.000,maxw=4.200)= -30.501 # GDT_score(maxd=12.000,maxw=4.300)= -34.345 # GDT_score(maxd=12.000,maxw=4.500)= -33.024 # GDT_score(maxd=12.000,maxw=4.700)= -31.801 # GDT_score(maxd=14.000,maxw=5.200)= -32.453 # GDT_score(maxd=14.000,maxw=5.500)= -30.872 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0325.try1-real.pdb for output Error: Couldn't open file T0325.try1-real.pdb for output superimposing iter= 0 total_weight= 3070.000 rmsd (weighted)= 11.702 (unweighted)= 17.536 superimposing iter= 1 total_weight= 9172.331 rmsd (weighted)= 4.894 (unweighted)= 17.642 superimposing iter= 2 total_weight= 3949.308 rmsd (weighted)= 3.463 (unweighted)= 17.688 superimposing iter= 3 total_weight= 2383.481 rmsd (weighted)= 3.175 (unweighted)= 17.722 superimposing iter= 4 total_weight= 2185.843 rmsd (weighted)= 3.045 (unweighted)= 17.748 superimposing iter= 5 total_weight= 2118.815 rmsd (weighted)= 2.966 (unweighted)= 17.766 EXPDTA T0325.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0325.try1-opt2.pdb ATOM 1 N MET A 1 7.508 53.702 36.037 1.00 0.00 ATOM 2 CA MET A 1 8.356 54.237 37.145 1.00 0.00 ATOM 3 CB MET A 1 7.655 55.404 37.841 1.00 0.00 ATOM 4 CG MET A 1 8.489 56.075 38.921 1.00 0.00 ATOM 5 SD MET A 1 7.651 57.484 39.673 1.00 0.00 ATOM 6 CE MET A 1 7.836 58.715 38.386 1.00 0.00 ATOM 7 O MET A 1 7.704 52.526 38.728 1.00 0.00 ATOM 8 C MET A 1 8.631 53.137 38.194 1.00 0.00 ATOM 9 N SER A 2 9.936 52.916 38.443 1.00 0.00 ATOM 10 CA SER A 2 10.330 51.949 39.437 1.00 0.00 ATOM 11 CB SER A 2 11.610 51.229 39.007 1.00 0.00 ATOM 12 OG SER A 2 12.693 52.137 38.898 1.00 0.00 ATOM 13 O SER A 2 10.890 51.714 41.735 1.00 0.00 ATOM 14 C SER A 2 10.503 52.486 40.851 1.00 0.00 ATOM 15 N ASN A 3 10.217 53.757 41.064 1.00 0.00 ATOM 16 CA ASN A 3 10.361 54.304 42.415 1.00 0.00 ATOM 17 CB ASN A 3 10.167 55.821 42.377 1.00 0.00 ATOM 18 CG ASN A 3 11.296 56.535 41.660 1.00 0.00 ATOM 19 ND2 ASN A 3 11.015 57.735 41.163 1.00 0.00 ATOM 20 OD1 ASN A 3 12.405 56.012 41.554 1.00 0.00 ATOM 21 O ASN A 3 8.075 53.568 42.904 1.00 0.00 ATOM 22 C ASN A 3 9.259 53.635 43.283 1.00 0.00 ATOM 23 N LYS A 4 9.767 53.004 44.575 1.00 0.00 ATOM 24 CA LYS A 4 8.898 52.123 45.359 1.00 0.00 ATOM 25 CB LYS A 4 9.729 51.086 46.119 1.00 0.00 ATOM 26 CG LYS A 4 10.487 50.122 45.223 1.00 0.00 ATOM 27 CD LYS A 4 11.357 49.179 46.036 1.00 0.00 ATOM 28 CE LYS A 4 12.056 48.164 45.147 1.00 0.00 ATOM 29 NZ LYS A 4 12.899 47.222 45.935 1.00 0.00 ATOM 30 O LYS A 4 8.413 52.982 47.534 1.00 0.00 ATOM 31 C LYS A 4 8.128 52.973 46.341 1.00 0.00 ATOM 32 N LYS A 5 7.097 53.622 45.822 1.00 0.00 ATOM 33 CA LYS A 5 6.231 54.447 46.676 1.00 0.00 ATOM 34 CB LYS A 5 6.148 55.876 46.135 1.00 0.00 ATOM 35 CG LYS A 5 7.464 56.635 46.182 1.00 0.00 ATOM 36 CD LYS A 5 7.298 58.058 45.675 1.00 0.00 ATOM 37 CE LYS A 5 8.607 58.825 45.747 1.00 0.00 ATOM 38 NZ LYS A 5 8.454 60.231 45.281 1.00 0.00 ATOM 39 O LYS A 5 4.399 53.174 45.767 1.00 0.00 ATOM 40 C LYS A 5 4.829 53.851 46.713 1.00 0.00 ATOM 41 N LEU A 6 4.118 54.111 47.816 1.00 0.00 ATOM 42 CA LEU A 6 2.732 53.641 47.963 1.00 0.00 ATOM 43 CB LEU A 6 2.693 52.315 48.726 1.00 0.00 ATOM 44 CG LEU A 6 1.305 51.746 49.027 1.00 0.00 ATOM 45 CD1 LEU A 6 0.619 51.296 47.746 1.00 0.00 ATOM 46 CD2 LEU A 6 1.406 50.548 49.958 1.00 0.00 ATOM 47 O LEU A 6 2.528 55.323 49.675 1.00 0.00 ATOM 48 C LEU A 6 1.990 54.721 48.737 1.00 0.00 ATOM 49 N ILE A 7 0.718 54.942 48.379 1.00 0.00 ATOM 50 CA ILE A 7 -0.157 55.911 49.104 1.00 0.00 ATOM 51 CB ILE A 7 -0.807 56.917 48.136 1.00 0.00 ATOM 52 CG1 ILE A 7 0.267 57.713 47.391 1.00 0.00 ATOM 53 CG2 ILE A 7 -1.690 57.896 48.897 1.00 0.00 ATOM 54 CD1 ILE A 7 -0.276 58.576 46.275 1.00 0.00 ATOM 55 O ILE A 7 -2.119 54.524 49.165 1.00 0.00 ATOM 56 C ILE A 7 -1.251 55.136 49.816 1.00 0.00 ATOM 57 N ILE A 8 -1.247 55.163 51.142 1.00 0.00 ATOM 58 CA ILE A 8 -2.317 54.610 51.921 1.00 0.00 ATOM 59 CB ILE A 8 -1.860 54.284 53.355 1.00 0.00 ATOM 60 CG1 ILE A 8 -0.762 53.220 53.338 1.00 0.00 ATOM 61 CG2 ILE A 8 -3.026 53.759 54.179 1.00 0.00 ATOM 62 CD1 ILE A 8 -0.095 53.009 54.678 1.00 0.00 ATOM 63 O ILE A 8 -3.196 56.799 52.295 1.00 0.00 ATOM 64 C ILE A 8 -3.447 55.625 51.980 1.00 0.00 ATOM 65 N ASN A 9 -4.658 55.269 51.677 1.00 0.00 ATOM 66 CA ASN A 9 -5.799 56.197 51.752 1.00 0.00 ATOM 67 CB ASN A 9 -6.364 56.463 50.354 1.00 0.00 ATOM 68 CG ASN A 9 -5.363 57.141 49.440 1.00 0.00 ATOM 69 ND2 ASN A 9 -4.844 56.394 48.474 1.00 0.00 ATOM 70 OD1 ASN A 9 -5.062 58.324 49.603 1.00 0.00 ATOM 71 O ASN A 9 -7.060 54.364 52.634 1.00 0.00 ATOM 72 C ASN A 9 -6.892 55.604 52.607 1.00 0.00 ATOM 73 N ALA A 10 -7.634 56.467 53.319 1.00 0.00 ATOM 74 CA ALA A 10 -8.641 56.004 54.280 1.00 0.00 ATOM 75 CB ALA A 10 -8.189 56.304 55.701 1.00 0.00 ATOM 76 O ALA A 10 -9.968 57.945 54.009 1.00 0.00 ATOM 77 C ALA A 10 -9.948 56.709 54.020 1.00 0.00 ATOM 78 N ASP A 11 -11.011 55.927 53.809 1.00 0.00 ATOM 79 CA ASP A 11 -12.339 56.491 53.588 1.00 0.00 ATOM 80 CB ASP A 11 -12.653 56.554 52.092 1.00 0.00 ATOM 81 CG ASP A 11 -12.687 55.183 51.445 1.00 0.00 ATOM 82 OD1 ASP A 11 -13.455 54.322 51.921 1.00 0.00 ATOM 83 OD2 ASP A 11 -11.946 54.971 50.463 1.00 0.00 ATOM 84 O ASP A 11 -13.104 54.558 54.794 1.00 0.00 ATOM 85 C ASP A 11 -13.396 55.637 54.266 1.00 0.00 ATOM 86 N ASP A 12 -14.626 56.132 54.270 1.00 0.00 ATOM 87 CA ASP A 12 -15.697 55.461 54.986 1.00 0.00 ATOM 88 CB ASP A 12 -15.987 56.177 56.307 1.00 0.00 ATOM 89 CG ASP A 12 -16.491 57.591 56.105 1.00 0.00 ATOM 90 OD1 ASP A 12 -16.757 57.967 54.945 1.00 0.00 ATOM 91 OD2 ASP A 12 -16.622 58.325 57.109 1.00 0.00 ATOM 92 O ASP A 12 -17.176 55.984 53.145 1.00 0.00 ATOM 93 C ASP A 12 -17.017 55.403 54.229 1.00 0.00 ATOM 94 N PHE A 13 -17.937 54.661 54.832 1.00 0.00 ATOM 95 CA PHE A 13 -19.265 54.393 54.299 1.00 0.00 ATOM 96 CB PHE A 13 -19.283 53.057 53.553 1.00 0.00 ATOM 97 CG PHE A 13 -18.351 53.008 52.375 1.00 0.00 ATOM 98 CD1 PHE A 13 -17.064 52.520 52.512 1.00 0.00 ATOM 99 CD2 PHE A 13 -18.763 53.451 51.131 1.00 0.00 ATOM 100 CE1 PHE A 13 -16.207 52.476 51.427 1.00 0.00 ATOM 101 CE2 PHE A 13 -17.907 53.406 50.047 1.00 0.00 ATOM 102 CZ PHE A 13 -16.634 52.922 50.192 1.00 0.00 ATOM 103 O PHE A 13 -19.826 53.921 56.578 1.00 0.00 ATOM 104 C PHE A 13 -20.211 54.347 55.488 1.00 0.00 ATOM 105 N GLY A 14 -21.442 54.790 55.285 1.00 0.00 ATOM 106 CA GLY A 14 -22.458 54.688 56.312 1.00 0.00 ATOM 107 O GLY A 14 -21.645 56.784 57.113 1.00 0.00 ATOM 108 C GLY A 14 -22.412 55.838 57.289 1.00 0.00 ATOM 109 N TYR A 15 -14.640 60.571 59.764 1.00 0.00 ATOM 110 CA TYR A 15 -13.879 60.171 60.931 1.00 0.00 ATOM 111 CB TYR A 15 -13.367 61.400 61.684 1.00 0.00 ATOM 112 CG TYR A 15 -12.291 62.166 60.945 1.00 0.00 ATOM 113 CD1 TYR A 15 -12.569 63.391 60.355 1.00 0.00 ATOM 114 CD2 TYR A 15 -11.003 61.660 60.843 1.00 0.00 ATOM 115 CE1 TYR A 15 -11.592 64.098 59.679 1.00 0.00 ATOM 116 CE2 TYR A 15 -10.013 62.351 60.172 1.00 0.00 ATOM 117 CZ TYR A 15 -10.318 63.579 59.587 1.00 0.00 ATOM 118 OH TYR A 15 -9.344 64.281 58.914 1.00 0.00 ATOM 119 O TYR A 15 -15.974 59.524 61.927 1.00 0.00 ATOM 120 C TYR A 15 -14.735 59.353 61.888 1.00 0.00 ATOM 121 N THR A 16 -14.076 58.551 62.716 1.00 0.00 ATOM 122 CA THR A 16 -14.767 57.767 63.765 1.00 0.00 ATOM 123 CB THR A 16 -14.761 56.262 63.442 1.00 0.00 ATOM 124 CG2 THR A 16 -15.503 55.482 64.517 1.00 0.00 ATOM 125 OG1 THR A 16 -15.403 56.037 62.180 1.00 0.00 ATOM 126 O THR A 16 -12.842 57.623 65.183 1.00 0.00 ATOM 127 C THR A 16 -14.002 58.037 65.053 1.00 0.00 ATOM 128 N PRO A 17 -14.641 58.726 66.019 1.00 0.00 ATOM 129 CA PRO A 17 -13.881 59.066 67.239 1.00 0.00 ATOM 130 CB PRO A 17 -14.883 59.847 68.092 1.00 0.00 ATOM 131 CG PRO A 17 -16.220 59.395 67.609 1.00 0.00 ATOM 132 CD PRO A 17 -16.070 59.154 66.133 1.00 0.00 ATOM 133 O PRO A 17 -12.471 58.032 68.812 1.00 0.00 ATOM 134 C PRO A 17 -13.365 57.855 68.017 1.00 0.00 ATOM 135 N ALA A 18 -13.913 56.664 67.788 1.00 0.00 ATOM 136 CA ALA A 18 -13.505 55.493 68.552 1.00 0.00 ATOM 137 CB ALA A 18 -14.665 54.517 68.686 1.00 0.00 ATOM 138 O ALA A 18 -11.770 53.832 68.533 1.00 0.00 ATOM 139 C ALA A 18 -12.340 54.731 67.896 1.00 0.00 ATOM 140 N VAL A 19 -11.941 55.086 66.655 1.00 0.00 ATOM 141 CA VAL A 19 -10.902 54.315 65.948 1.00 0.00 ATOM 142 CB VAL A 19 -11.517 53.363 64.905 1.00 0.00 ATOM 143 CG1 VAL A 19 -10.427 52.571 64.200 1.00 0.00 ATOM 144 CG2 VAL A 19 -12.466 52.381 65.575 1.00 0.00 ATOM 145 O VAL A 19 -8.684 54.977 65.318 1.00 0.00 ATOM 146 C VAL A 19 -9.889 55.227 65.253 1.00 0.00 ATOM 147 N THR A 20 -10.317 56.314 64.400 1.00 0.00 ATOM 148 CA THR A 20 -9.377 57.235 63.762 1.00 0.00 ATOM 149 CB THR A 20 -10.100 58.486 63.226 1.00 0.00 ATOM 150 CG2 THR A 20 -9.121 59.401 62.509 1.00 0.00 ATOM 151 OG1 THR A 20 -11.126 58.091 62.307 1.00 0.00 ATOM 152 O THR A 20 -7.103 57.943 64.020 1.00 0.00 ATOM 153 C THR A 20 -8.192 57.771 64.562 1.00 0.00 ATOM 154 N GLN A 21 -8.421 58.029 65.850 1.00 0.00 ATOM 155 CA GLN A 21 -7.359 58.495 66.742 1.00 0.00 ATOM 156 CB GLN A 21 -7.815 58.784 68.173 1.00 0.00 ATOM 157 CG GLN A 21 -8.655 60.045 68.314 1.00 0.00 ATOM 158 CD GLN A 21 -9.184 60.238 69.722 1.00 0.00 ATOM 159 OE1 GLN A 21 -9.001 59.381 70.587 1.00 0.00 ATOM 160 NE2 GLN A 21 -9.841 61.368 69.956 1.00 0.00 ATOM 161 O GLN A 21 -5.066 57.769 66.814 1.00 0.00 ATOM 162 C GLN A 21 -6.261 57.425 66.824 1.00 0.00 ATOM 163 N GLY A 22 -6.622 56.150 66.940 1.00 0.00 ATOM 164 CA GLY A 22 -5.588 55.098 67.040 1.00 0.00 ATOM 165 O GLY A 22 -3.621 54.803 65.667 1.00 0.00 ATOM 166 C GLY A 22 -4.850 54.966 65.690 1.00 0.00 ATOM 167 N ILE A 23 -5.583 55.083 64.576 1.00 0.00 ATOM 168 CA ILE A 23 -4.907 55.042 63.277 1.00 0.00 ATOM 169 CB ILE A 23 -5.970 55.056 62.147 1.00 0.00 ATOM 170 CG1 ILE A 23 -6.772 53.777 62.087 1.00 0.00 ATOM 171 CG2 ILE A 23 -5.322 55.351 60.785 1.00 0.00 ATOM 172 CD1 ILE A 23 -8.037 53.818 61.237 1.00 0.00 ATOM 173 O ILE A 23 -2.735 55.976 62.767 1.00 0.00 ATOM 174 C ILE A 23 -3.874 56.187 63.191 1.00 0.00 ATOM 175 N ILE A 24 -4.260 57.379 63.630 1.00 0.00 ATOM 176 CA ILE A 24 -3.345 58.538 63.603 1.00 0.00 ATOM 177 CB ILE A 24 -4.035 59.815 64.116 1.00 0.00 ATOM 178 CG1 ILE A 24 -5.127 60.260 63.141 1.00 0.00 ATOM 179 CG2 ILE A 24 -3.028 60.945 64.259 1.00 0.00 ATOM 180 CD1 ILE A 24 -6.030 61.344 63.688 1.00 0.00 ATOM 181 O ILE A 24 -1.019 58.537 64.023 1.00 0.00 ATOM 182 C ILE A 24 -2.124 58.275 64.453 1.00 0.00 ATOM 183 N GLU A 25 -2.334 57.777 65.645 1.00 0.00 ATOM 184 CA GLU A 25 -1.229 57.457 66.540 1.00 0.00 ATOM 185 CB GLU A 25 -1.742 56.818 67.833 1.00 0.00 ATOM 186 CG GLU A 25 -2.429 57.792 68.777 1.00 0.00 ATOM 187 CD GLU A 25 -3.032 57.104 69.985 1.00 0.00 ATOM 188 OE1 GLU A 25 -2.977 55.859 70.047 1.00 0.00 ATOM 189 OE2 GLU A 25 -3.558 57.811 70.869 1.00 0.00 ATOM 190 O GLU A 25 0.927 56.529 65.887 1.00 0.00 ATOM 191 C GLU A 25 -0.330 56.450 65.808 1.00 0.00 ATOM 192 N ALA A 26 -0.945 55.472 65.135 1.00 0.00 ATOM 193 CA ALA A 26 -0.162 54.471 64.450 1.00 0.00 ATOM 194 CB ALA A 26 -1.067 53.394 63.872 1.00 0.00 ATOM 195 O ALA A 26 1.822 54.743 63.093 1.00 0.00 ATOM 196 C ALA A 26 0.647 55.096 63.288 1.00 0.00 ATOM 197 N HIS A 27 0.023 55.943 62.480 1.00 0.00 ATOM 198 CA HIS A 27 0.798 56.569 61.386 1.00 0.00 ATOM 199 CB HIS A 27 -0.083 57.530 60.585 1.00 0.00 ATOM 200 CG HIS A 27 -1.100 56.845 59.728 1.00 0.00 ATOM 201 CD2 HIS A 27 -2.554 56.797 59.679 1.00 0.00 ATOM 202 ND1 HIS A 27 -0.756 56.017 58.682 1.00 0.00 ATOM 203 CE1 HIS A 27 -1.878 55.552 58.103 1.00 0.00 ATOM 204 NE2 HIS A 27 -2.961 56.016 58.696 1.00 0.00 ATOM 205 O HIS A 27 3.103 57.340 61.354 1.00 0.00 ATOM 206 C HIS A 27 1.980 57.355 61.937 1.00 0.00 ATOM 207 N LYS A 28 1.751 58.075 63.047 1.00 0.00 ATOM 208 CA LYS A 28 2.859 58.836 63.645 1.00 0.00 ATOM 209 CB LYS A 28 2.363 59.652 64.841 1.00 0.00 ATOM 210 CG LYS A 28 1.468 60.823 64.464 1.00 0.00 ATOM 211 CD LYS A 28 1.016 61.590 65.696 1.00 0.00 ATOM 212 CE LYS A 28 0.100 62.745 65.321 1.00 0.00 ATOM 213 NZ LYS A 28 -0.377 63.486 66.522 1.00 0.00 ATOM 214 O LYS A 28 5.160 58.174 63.982 1.00 0.00 ATOM 215 C LYS A 28 3.975 57.887 64.137 1.00 0.00 ATOM 216 N ARG A 29 3.506 56.679 64.689 1.00 0.00 ATOM 217 CA ARG A 29 4.503 55.745 65.226 1.00 0.00 ATOM 218 CB ARG A 29 3.819 54.502 65.799 1.00 0.00 ATOM 219 CG ARG A 29 3.054 54.754 67.087 1.00 0.00 ATOM 220 CD ARG A 29 2.341 53.498 67.561 1.00 0.00 ATOM 221 NE ARG A 29 1.578 53.731 68.786 1.00 0.00 ATOM 222 CZ ARG A 29 0.805 52.819 69.367 1.00 0.00 ATOM 223 NH1 ARG A 29 0.148 53.120 70.480 1.00 0.00 ATOM 224 NH2 ARG A 29 0.692 51.609 68.838 1.00 0.00 ATOM 225 O ARG A 29 6.680 55.210 64.324 1.00 0.00 ATOM 226 C ARG A 29 5.455 55.309 64.134 1.00 0.00 ATOM 227 N GLY A 30 4.895 55.040 62.954 1.00 0.00 ATOM 228 CA GLY A 30 5.686 54.486 61.847 1.00 0.00 ATOM 229 O GLY A 30 6.854 55.250 59.891 1.00 0.00 ATOM 230 C GLY A 30 6.236 55.563 60.920 1.00 0.00 ATOM 231 N VAL A 31 6.060 56.837 61.301 1.00 0.00 ATOM 232 CA VAL A 31 6.712 57.936 60.578 1.00 0.00 ATOM 233 CB VAL A 31 8.244 57.775 60.566 1.00 0.00 ATOM 234 CG1 VAL A 31 8.909 59.059 60.094 1.00 0.00 ATOM 235 CG2 VAL A 31 8.756 57.453 61.962 1.00 0.00 ATOM 236 O VAL A 31 7.036 58.216 58.216 1.00 0.00 ATOM 237 C VAL A 31 6.235 57.986 59.118 1.00 0.00 ATOM 238 N VAL A 32 4.793 57.651 58.919 1.00 0.00 ATOM 239 CA VAL A 32 4.242 57.717 57.579 1.00 0.00 ATOM 240 CB VAL A 32 3.843 56.322 57.063 1.00 0.00 ATOM 241 CG1 VAL A 32 5.063 55.417 56.978 1.00 0.00 ATOM 242 CG2 VAL A 32 2.831 55.678 57.998 1.00 0.00 ATOM 243 O VAL A 32 2.394 58.878 58.592 1.00 0.00 ATOM 244 C VAL A 32 3.004 58.594 57.556 1.00 0.00 ATOM 245 N THR A 33 2.673 59.033 56.347 1.00 0.00 ATOM 246 CA THR A 33 1.482 59.882 56.129 1.00 0.00 ATOM 247 CB THR A 33 1.850 61.196 55.413 1.00 0.00 ATOM 248 CG2 THR A 33 2.890 61.964 56.212 1.00 0.00 ATOM 249 OG1 THR A 33 2.385 60.903 54.117 1.00 0.00 ATOM 250 O THR A 33 0.846 58.191 54.562 1.00 0.00 ATOM 251 C THR A 33 0.472 59.136 55.271 1.00 0.00 ATOM 252 N SER A 34 -0.766 59.609 55.322 1.00 0.00 ATOM 253 CA SER A 34 -1.798 59.039 54.495 1.00 0.00 ATOM 254 CB SER A 34 -2.611 58.011 55.286 1.00 0.00 ATOM 255 OG SER A 34 -3.341 58.631 56.330 1.00 0.00 ATOM 256 O SER A 34 -2.568 61.316 54.342 1.00 0.00 ATOM 257 C SER A 34 -2.742 60.133 54.006 1.00 0.00 ATOM 258 N THR A 35 -3.741 59.724 53.221 1.00 0.00 ATOM 259 CA THR A 35 -4.712 60.643 52.682 1.00 0.00 ATOM 260 CB THR A 35 -4.628 60.716 51.147 1.00 0.00 ATOM 261 CG2 THR A 35 -5.666 61.687 50.603 1.00 0.00 ATOM 262 OG1 THR A 35 -3.324 61.165 50.757 1.00 0.00 ATOM 263 O THR A 35 -6.416 58.951 52.919 1.00 0.00 ATOM 264 C THR A 35 -6.076 60.134 53.099 1.00 0.00 ATOM 265 N THR A 36 -6.883 61.032 53.701 1.00 0.00 ATOM 266 CA THR A 36 -8.200 60.695 54.276 1.00 0.00 ATOM 267 CB THR A 36 -8.319 61.174 55.735 1.00 0.00 ATOM 268 CG2 THR A 36 -9.689 60.831 56.298 1.00 0.00 ATOM 269 OG1 THR A 36 -7.316 60.535 56.533 1.00 0.00 ATOM 270 O THR A 36 -9.291 62.585 53.400 1.00 0.00 ATOM 271 C THR A 36 -9.277 61.359 53.465 1.00 0.00 ATOM 272 N ALA A 37 -10.158 60.559 52.847 1.00 0.00 ATOM 273 CA ALA A 37 -11.296 61.077 52.088 1.00 0.00 ATOM 274 CB ALA A 37 -11.552 60.214 50.861 1.00 0.00 ATOM 275 O ALA A 37 -13.049 59.977 53.312 1.00 0.00 ATOM 276 C ALA A 37 -12.497 61.047 53.007 1.00 0.00 ATOM 277 N LEU A 38 -12.846 62.233 53.510 1.00 0.00 ATOM 278 CA LEU A 38 -13.823 62.324 54.574 1.00 0.00 ATOM 279 CB LEU A 38 -13.428 63.503 55.500 1.00 0.00 ATOM 280 CG LEU A 38 -12.128 63.261 56.254 1.00 0.00 ATOM 281 CD1 LEU A 38 -11.777 64.498 57.087 1.00 0.00 ATOM 282 CD2 LEU A 38 -12.325 62.065 57.174 1.00 0.00 ATOM 283 O LEU A 38 -15.341 63.391 53.018 1.00 0.00 ATOM 284 C LEU A 38 -15.202 62.726 54.056 1.00 0.00 ATOM 285 N PRO A 39 -16.230 62.321 54.796 1.00 0.00 ATOM 286 CA PRO A 39 -17.605 62.729 54.484 1.00 0.00 ATOM 287 CB PRO A 39 -18.464 61.586 55.030 1.00 0.00 ATOM 288 CG PRO A 39 -17.735 61.120 56.246 1.00 0.00 ATOM 289 CD PRO A 39 -16.272 61.231 55.923 1.00 0.00 ATOM 290 O PRO A 39 -17.747 64.220 56.337 1.00 0.00 ATOM 291 C PRO A 39 -17.954 64.034 55.141 1.00 0.00 ATOM 292 N THR A 40 -19.176 63.712 57.969 1.00 0.00 ATOM 293 CA THR A 40 -18.522 63.283 59.219 1.00 0.00 ATOM 294 CB THR A 40 -18.127 61.752 59.033 1.00 0.00 ATOM 295 CG2 THR A 40 -17.431 61.239 60.292 1.00 0.00 ATOM 296 OG1 THR A 40 -19.283 60.947 58.775 1.00 0.00 ATOM 297 O THR A 40 -17.148 64.164 60.907 1.00 0.00 ATOM 298 C THR A 40 -17.697 64.358 59.844 1.00 0.00 ATOM 299 N SER A 41 -17.639 65.538 59.217 1.00 0.00 ATOM 300 CA SER A 41 -16.838 66.630 59.745 1.00 0.00 ATOM 301 CB SER A 41 -16.600 67.690 58.668 1.00 0.00 ATOM 302 OG SER A 41 -15.833 67.166 57.597 1.00 0.00 ATOM 303 O SER A 41 -16.818 67.599 61.890 1.00 0.00 ATOM 304 C SER A 41 -17.502 67.327 60.927 1.00 0.00 ATOM 305 N PRO A 42 -18.835 67.515 60.864 1.00 0.00 ATOM 306 CA PRO A 42 -19.536 68.208 61.957 1.00 0.00 ATOM 307 CB PRO A 42 -20.993 68.259 61.488 1.00 0.00 ATOM 308 CG PRO A 42 -20.908 68.193 59.999 1.00 0.00 ATOM 309 CD PRO A 42 -19.771 67.261 59.689 1.00 0.00 ATOM 310 O PRO A 42 -19.174 66.217 63.249 1.00 0.00 ATOM 311 C PRO A 42 -19.316 67.444 63.267 1.00 0.00 ATOM 312 N TYR A 43 -19.309 68.252 64.436 1.00 0.00 ATOM 313 CA TYR A 43 -19.028 67.733 65.783 1.00 0.00 ATOM 314 CB TYR A 43 -20.101 66.674 66.044 1.00 0.00 ATOM 315 CG TYR A 43 -21.505 67.229 66.114 1.00 0.00 ATOM 316 CD1 TYR A 43 -22.391 67.058 65.057 1.00 0.00 ATOM 317 CD2 TYR A 43 -21.942 67.923 67.235 1.00 0.00 ATOM 318 CE1 TYR A 43 -23.676 67.561 65.111 1.00 0.00 ATOM 319 CE2 TYR A 43 -23.224 68.435 67.307 1.00 0.00 ATOM 320 CZ TYR A 43 -24.092 68.247 66.232 1.00 0.00 ATOM 321 OH TYR A 43 -25.372 68.750 66.289 1.00 0.00 ATOM 322 O TYR A 43 -17.274 66.631 66.943 1.00 0.00 ATOM 323 C TYR A 43 -17.700 67.033 65.858 1.00 0.00 ATOM 324 N PHE A 44 -17.032 66.870 64.706 1.00 0.00 ATOM 325 CA PHE A 44 -15.708 66.245 64.662 1.00 0.00 ATOM 326 CB PHE A 44 -15.737 64.990 63.786 1.00 0.00 ATOM 327 CG PHE A 44 -16.631 63.904 64.312 1.00 0.00 ATOM 328 CD1 PHE A 44 -17.877 63.684 63.754 1.00 0.00 ATOM 329 CD2 PHE A 44 -16.226 63.104 65.366 1.00 0.00 ATOM 330 CE1 PHE A 44 -18.701 62.684 64.238 1.00 0.00 ATOM 331 CE2 PHE A 44 -17.050 62.104 65.850 1.00 0.00 ATOM 332 CZ PHE A 44 -18.282 61.893 65.290 1.00 0.00 ATOM 333 O PHE A 44 -13.612 66.716 63.605 1.00 0.00 ATOM 334 C PHE A 44 -14.664 67.175 64.096 1.00 0.00 ATOM 335 N LEU A 45 -14.883 68.489 64.226 1.00 0.00 ATOM 336 CA LEU A 45 -13.943 69.440 63.623 1.00 0.00 ATOM 337 CB LEU A 45 -14.413 70.876 63.854 1.00 0.00 ATOM 338 CG LEU A 45 -15.670 71.309 63.098 1.00 0.00 ATOM 339 CD1 LEU A 45 -16.127 72.686 63.555 1.00 0.00 ATOM 340 CD2 LEU A 45 -15.403 71.369 61.601 1.00 0.00 ATOM 341 O LEU A 45 -11.568 69.386 63.442 1.00 0.00 ATOM 342 C LEU A 45 -12.544 69.332 64.191 1.00 0.00 ATOM 343 N GLU A 46 -12.426 69.166 65.510 1.00 0.00 ATOM 344 CA GLU A 46 -11.090 69.084 66.097 1.00 0.00 ATOM 345 CB GLU A 46 -11.176 69.074 67.624 1.00 0.00 ATOM 346 CG GLU A 46 -11.610 70.400 68.230 1.00 0.00 ATOM 347 CD GLU A 46 -11.770 70.326 69.736 1.00 0.00 ATOM 348 OE1 GLU A 46 -11.603 69.223 70.298 1.00 0.00 ATOM 349 OE2 GLU A 46 -12.064 71.371 70.353 1.00 0.00 ATOM 350 O GLU A 46 -9.159 67.811 65.464 1.00 0.00 ATOM 351 C GLU A 46 -10.368 67.812 65.654 1.00 0.00 ATOM 352 N ALA A 47 -11.124 66.736 65.435 1.00 0.00 ATOM 353 CA ALA A 47 -10.556 65.482 64.942 1.00 0.00 ATOM 354 CB ALA A 47 -11.607 64.381 64.959 1.00 0.00 ATOM 355 O ALA A 47 -8.981 65.169 63.130 1.00 0.00 ATOM 356 C ALA A 47 -10.058 65.676 63.501 1.00 0.00 ATOM 357 N MET A 48 -10.863 66.341 62.665 1.00 0.00 ATOM 358 CA MET A 48 -10.410 66.611 61.311 1.00 0.00 ATOM 359 CB MET A 48 -11.495 67.327 60.481 1.00 0.00 ATOM 360 CG MET A 48 -11.025 67.729 59.071 1.00 0.00 ATOM 361 SD MET A 48 -12.357 68.451 58.084 1.00 0.00 ATOM 362 CE MET A 48 -12.584 69.812 58.925 1.00 0.00 ATOM 363 O MET A 48 -8.182 67.229 60.569 1.00 0.00 ATOM 364 C MET A 48 -9.160 67.485 61.309 1.00 0.00 ATOM 365 N GLU A 49 -9.145 68.512 62.168 1.00 0.00 ATOM 366 CA GLU A 49 -7.926 69.304 62.260 1.00 0.00 ATOM 367 CB GLU A 49 -8.104 70.449 63.260 1.00 0.00 ATOM 368 CG GLU A 49 -9.038 71.549 62.783 1.00 0.00 ATOM 369 CD GLU A 49 -9.287 72.602 63.845 1.00 0.00 ATOM 370 OE1 GLU A 49 -8.788 72.432 64.978 1.00 0.00 ATOM 371 OE2 GLU A 49 -9.980 73.596 63.544 1.00 0.00 ATOM 372 O GLU A 49 -5.605 68.730 62.301 1.00 0.00 ATOM 373 C GLU A 49 -6.735 68.470 62.734 1.00 0.00 ATOM 374 N SER A 50 -7.010 67.527 63.582 1.00 0.00 ATOM 375 CA SER A 50 -5.966 66.662 64.105 1.00 0.00 ATOM 376 CB SER A 50 -6.520 65.760 65.210 1.00 0.00 ATOM 377 OG SER A 50 -6.902 66.519 66.344 1.00 0.00 ATOM 378 O SER A 50 -4.210 65.534 62.879 1.00 0.00 ATOM 379 C SER A 50 -5.411 65.769 62.968 1.00 0.00 ATOM 380 N ALA A 51 -6.284 65.275 62.092 1.00 0.00 ATOM 381 CA ALA A 51 -5.804 64.456 60.958 1.00 0.00 ATOM 382 CB ALA A 51 -6.917 64.072 60.043 1.00 0.00 ATOM 383 O ALA A 51 -3.677 64.743 59.862 1.00 0.00 ATOM 384 C ALA A 51 -4.754 65.238 60.156 1.00 0.00 ATOM 385 N ARG A 52 -5.065 66.494 59.844 1.00 0.00 ATOM 386 CA ARG A 52 -4.174 67.307 59.077 1.00 0.00 ATOM 387 CB ARG A 52 -4.855 68.577 58.582 1.00 0.00 ATOM 388 CG ARG A 52 -3.937 69.470 57.750 1.00 0.00 ATOM 389 CD ARG A 52 -3.269 70.587 58.549 1.00 0.00 ATOM 390 NE ARG A 52 -4.253 71.312 59.333 1.00 0.00 ATOM 391 CZ ARG A 52 -5.010 72.296 58.865 1.00 0.00 ATOM 392 NH1 ARG A 52 -4.873 72.711 57.613 1.00 0.00 ATOM 393 NH2 ARG A 52 -5.915 72.864 59.652 1.00 0.00 ATOM 394 O ARG A 52 -1.810 67.633 59.369 1.00 0.00 ATOM 395 C ARG A 52 -2.917 67.712 59.883 1.00 0.00 ATOM 396 N ILE A 53 -3.101 68.036 61.172 1.00 0.00 ATOM 397 CA ILE A 53 -1.961 68.419 62.023 1.00 0.00 ATOM 398 CB ILE A 53 -2.428 68.891 63.413 1.00 0.00 ATOM 399 CG1 ILE A 53 -1.311 69.666 64.116 1.00 0.00 ATOM 400 CG2 ILE A 53 -2.808 67.701 64.280 1.00 0.00 ATOM 401 CD1 ILE A 53 -1.767 70.410 65.351 1.00 0.00 ATOM 402 O ILE A 53 0.181 67.456 62.520 1.00 0.00 ATOM 403 C ILE A 53 -1.004 67.242 62.234 1.00 0.00 ATOM 404 N SER A 54 -1.509 66.009 62.112 1.00 0.00 ATOM 405 CA SER A 54 -0.681 64.826 62.271 1.00 0.00 ATOM 406 CB SER A 54 -1.547 63.608 62.596 1.00 0.00 ATOM 407 OG SER A 54 -2.371 63.259 61.496 1.00 0.00 ATOM 408 O SER A 54 0.929 63.570 61.105 1.00 0.00 ATOM 409 C SER A 54 0.120 64.484 61.028 1.00 0.00 ATOM 410 N ALA A 55 -0.115 65.156 59.901 1.00 0.00 ATOM 411 CA ALA A 55 0.591 64.913 58.645 1.00 0.00 ATOM 412 CB ALA A 55 0.113 65.906 57.572 1.00 0.00 ATOM 413 O ALA A 55 2.545 65.909 59.567 1.00 0.00 ATOM 414 C ALA A 55 2.104 65.046 58.840 1.00 0.00 ATOM 415 N PRO A 56 2.909 64.270 58.099 1.00 0.00 ATOM 416 CA PRO A 56 4.350 64.544 57.979 1.00 0.00 ATOM 417 CB PRO A 56 4.821 63.581 56.888 1.00 0.00 ATOM 418 CG PRO A 56 3.856 62.444 56.952 1.00 0.00 ATOM 419 CD PRO A 56 2.514 63.053 57.244 1.00 0.00 ATOM 420 O PRO A 56 3.986 66.572 56.762 1.00 0.00 ATOM 421 C PRO A 56 4.673 65.973 57.590 1.00 0.00 ATOM 422 N THR A 57 5.729 66.525 58.189 1.00 0.00 ATOM 423 CA THR A 57 6.255 67.781 57.717 1.00 0.00 ATOM 424 CB THR A 57 7.192 68.427 58.754 1.00 0.00 ATOM 425 CG2 THR A 57 6.413 68.840 59.993 1.00 0.00 ATOM 426 OG1 THR A 57 8.206 67.490 59.135 1.00 0.00 ATOM 427 O THR A 57 8.003 66.740 56.474 1.00 0.00 ATOM 428 C THR A 57 7.026 67.485 56.438 1.00 0.00 ATOM 429 N LEU A 58 -0.862 64.538 57.082 1.00 0.00 ATOM 430 CA LEU A 58 -1.630 63.780 56.097 1.00 0.00 ATOM 431 CB LEU A 58 -2.637 62.864 56.793 1.00 0.00 ATOM 432 CG LEU A 58 -2.119 61.491 57.227 1.00 0.00 ATOM 433 CD1 LEU A 58 -0.772 61.620 57.921 1.00 0.00 ATOM 434 CD2 LEU A 58 -3.091 60.831 58.195 1.00 0.00 ATOM 435 O LEU A 58 -2.390 65.959 55.415 1.00 0.00 ATOM 436 C LEU A 58 -2.375 64.752 55.195 1.00 0.00 ATOM 437 N ALA A 59 -2.958 64.230 54.135 1.00 0.00 ATOM 438 CA ALA A 59 -3.755 65.013 53.210 1.00 0.00 ATOM 439 CB ALA A 59 -3.346 64.714 51.775 1.00 0.00 ATOM 440 O ALA A 59 -5.560 63.480 53.570 1.00 0.00 ATOM 441 C ALA A 59 -5.230 64.648 53.408 1.00 0.00 ATOM 442 N ILE A 60 -6.087 65.673 53.407 1.00 0.00 ATOM 443 CA ILE A 60 -7.511 65.482 53.554 1.00 0.00 ATOM 444 CB ILE A 60 -8.105 66.440 54.603 1.00 0.00 ATOM 445 CG1 ILE A 60 -7.476 66.187 55.973 1.00 0.00 ATOM 446 CG2 ILE A 60 -9.609 66.240 54.718 1.00 0.00 ATOM 447 CD1 ILE A 60 -7.829 67.230 57.011 1.00 0.00 ATOM 448 O ILE A 60 -7.879 66.742 51.556 1.00 0.00 ATOM 449 C ILE A 60 -8.193 65.736 52.207 1.00 0.00 ATOM 450 N GLY A 61 -9.018 64.790 51.756 1.00 0.00 ATOM 451 CA GLY A 61 -9.786 64.964 50.537 1.00 0.00 ATOM 452 O GLY A 61 -11.702 64.543 51.980 1.00 0.00 ATOM 453 C GLY A 61 -11.276 64.830 50.849 1.00 0.00 ATOM 454 N VAL A 62 -12.048 65.006 49.785 1.00 0.00 ATOM 455 CA VAL A 62 -13.513 65.132 49.846 1.00 0.00 ATOM 456 CB VAL A 62 -14.020 66.272 48.942 1.00 0.00 ATOM 457 CG1 VAL A 62 -15.538 66.346 48.979 1.00 0.00 ATOM 458 CG2 VAL A 62 -13.464 67.609 49.410 1.00 0.00 ATOM 459 O VAL A 62 -13.909 63.391 48.282 1.00 0.00 ATOM 460 C VAL A 62 -14.168 63.835 49.385 1.00 0.00 ATOM 461 N HIS A 63 -15.058 63.273 50.207 1.00 0.00 ATOM 462 CA HIS A 63 -15.721 62.002 49.866 1.00 0.00 ATOM 463 CB HIS A 63 -15.309 60.980 51.069 1.00 0.00 ATOM 464 CG HIS A 63 -15.133 59.522 50.835 1.00 0.00 ATOM 465 CD2 HIS A 63 -15.207 58.778 49.707 1.00 0.00 ATOM 466 ND1 HIS A 63 -14.829 58.647 51.860 1.00 0.00 ATOM 467 CE1 HIS A 63 -14.734 57.425 51.371 1.00 0.00 ATOM 468 NE2 HIS A 63 -14.952 57.476 50.068 1.00 0.00 ATOM 469 O HIS A 63 -18.008 61.230 49.753 1.00 0.00 ATOM 470 C HIS A 63 -17.240 62.190 49.678 1.00 0.00 ATOM 471 N LEU A 64 -17.624 63.453 49.385 1.00 0.00 ATOM 472 CA LEU A 64 -19.013 63.861 49.221 1.00 0.00 ATOM 473 CB LEU A 64 -19.312 65.099 50.069 1.00 0.00 ATOM 474 CG LEU A 64 -19.089 64.958 51.576 1.00 0.00 ATOM 475 CD1 LEU A 64 -19.355 66.277 52.285 1.00 0.00 ATOM 476 CD2 LEU A 64 -20.019 63.907 52.162 1.00 0.00 ATOM 477 O LEU A 64 -18.613 65.109 47.216 1.00 0.00 ATOM 478 C LEU A 64 -19.231 64.178 47.742 1.00 0.00 ATOM 479 N THR A 65 -20.010 63.344 47.053 1.00 0.00 ATOM 480 CA THR A 65 -20.318 63.582 45.635 1.00 0.00 ATOM 481 CB THR A 65 -20.014 62.837 44.550 1.00 0.00 ATOM 482 CG2 THR A 65 -20.886 63.074 43.327 1.00 0.00 ATOM 483 OG1 THR A 65 -18.755 63.463 44.268 1.00 0.00 ATOM 484 O THR A 65 -22.688 63.811 46.088 1.00 0.00 ATOM 485 C THR A 65 -21.659 64.309 45.582 1.00 0.00 ATOM 486 N LEU A 66 -21.635 65.478 44.967 1.00 0.00 ATOM 487 CA LEU A 66 -22.809 66.313 44.819 1.00 0.00 ATOM 488 CB LEU A 66 -22.446 67.788 45.002 1.00 0.00 ATOM 489 CG LEU A 66 -21.865 68.177 46.363 1.00 0.00 ATOM 490 CD1 LEU A 66 -21.480 69.648 46.381 1.00 0.00 ATOM 491 CD2 LEU A 66 -22.881 67.939 47.470 1.00 0.00 ATOM 492 O LEU A 66 -22.741 66.250 42.424 1.00 0.00 ATOM 493 C LEU A 66 -23.442 66.155 43.433 1.00 0.00 ATOM 494 N THR A 67 -24.736 65.862 43.359 1.00 0.00 ATOM 495 CA THR A 67 -25.469 65.747 42.098 1.00 0.00 ATOM 496 CB THR A 67 -24.968 66.765 41.059 1.00 0.00 ATOM 497 CG2 THR A 67 -24.944 68.166 41.653 1.00 0.00 ATOM 498 OG1 THR A 67 -23.642 66.416 40.643 1.00 0.00 ATOM 499 O THR A 67 -24.248 63.712 41.831 1.00 0.00 ATOM 500 C THR A 67 -25.307 64.298 41.662 1.00 0.00 ATOM 501 N LEU A 68 -26.397 63.684 41.037 1.00 0.00 ATOM 502 CA LEU A 68 -26.350 62.304 40.614 1.00 0.00 ATOM 503 CB LEU A 68 -27.588 62.029 39.758 1.00 0.00 ATOM 504 CG LEU A 68 -28.926 61.979 40.498 1.00 0.00 ATOM 505 CD1 LEU A 68 -30.080 61.851 39.514 1.00 0.00 ATOM 506 CD2 LEU A 68 -28.974 60.788 41.444 1.00 0.00 ATOM 507 O LEU A 68 -24.352 61.142 39.929 1.00 0.00 ATOM 508 C LEU A 68 -25.123 62.096 39.734 1.00 0.00 ATOM 509 N ASN A 69 -24.947 62.974 38.747 1.00 0.00 ATOM 510 CA ASN A 69 -23.958 62.744 37.709 1.00 0.00 ATOM 511 CB ASN A 69 -24.641 62.388 36.388 1.00 0.00 ATOM 512 CG ASN A 69 -25.508 63.513 35.859 1.00 0.00 ATOM 513 ND2 ASN A 69 -26.137 63.285 34.712 1.00 0.00 ATOM 514 OD1 ASN A 69 -25.611 64.573 36.476 1.00 0.00 ATOM 515 O ASN A 69 -22.406 64.001 36.401 1.00 0.00 ATOM 516 C ASN A 69 -23.077 63.940 37.437 1.00 0.00 ATOM 517 N GLN A 70 -22.989 64.867 38.389 1.00 0.00 ATOM 518 CA GLN A 70 -22.003 65.954 38.320 1.00 0.00 ATOM 519 CB GLN A 70 -20.699 65.473 39.103 1.00 0.00 ATOM 520 CG GLN A 70 -20.793 65.218 40.624 1.00 0.00 ATOM 521 CD GLN A 70 -19.398 65.263 41.251 1.00 0.00 ATOM 522 OE1 GLN A 70 -18.751 66.296 41.212 1.00 0.00 ATOM 523 NE2 GLN A 70 -18.914 64.122 41.756 1.00 0.00 ATOM 524 O GLN A 70 -21.262 67.533 36.683 1.00 0.00 ATOM 525 C GLN A 70 -22.223 66.982 37.180 1.00 0.00 ATOM 526 N ALA A 71 -23.480 67.341 36.842 1.00 0.00 ATOM 527 CA ALA A 71 -23.659 68.415 35.863 1.00 0.00 ATOM 528 CB ALA A 71 -25.067 68.378 35.287 1.00 0.00 ATOM 529 O ALA A 71 -23.377 69.859 37.794 1.00 0.00 ATOM 530 C ALA A 71 -23.436 69.769 36.539 1.00 0.00 ATOM 531 N LYS A 72 -23.408 70.827 35.742 1.00 0.00 ATOM 532 CA LYS A 72 -23.539 72.191 36.235 1.00 0.00 ATOM 533 CB LYS A 72 -22.736 72.853 37.001 1.00 0.00 ATOM 534 CG LYS A 72 -22.911 74.370 36.901 1.00 0.00 ATOM 535 CD LYS A 72 -22.122 75.106 37.968 1.00 0.00 ATOM 536 CE LYS A 72 -22.289 76.611 37.835 1.00 0.00 ATOM 537 NZ LYS A 72 -21.549 77.343 38.900 1.00 0.00 ATOM 538 O LYS A 72 -23.801 72.914 33.970 1.00 0.00 ATOM 539 C LYS A 72 -24.178 73.034 35.132 1.00 0.00 ATOM 540 N PRO A 73 -25.253 73.847 35.476 1.00 0.00 ATOM 541 CA PRO A 73 -25.830 74.024 36.818 1.00 0.00 ATOM 542 CB PRO A 73 -26.980 75.009 36.599 1.00 0.00 ATOM 543 CG PRO A 73 -26.630 75.717 35.333 1.00 0.00 ATOM 544 CD PRO A 73 -25.931 74.704 34.470 1.00 0.00 ATOM 545 O PRO A 73 -26.634 71.787 36.576 1.00 0.00 ATOM 546 C PRO A 73 -26.315 72.684 37.354 1.00 0.00 ATOM 547 N ILE A 74 -26.378 72.552 38.675 1.00 0.00 ATOM 548 CA ILE A 74 -26.811 71.297 39.279 1.00 0.00 ATOM 549 CB ILE A 74 -26.662 71.368 40.842 1.00 0.00 ATOM 550 CG1 ILE A 74 -25.206 71.612 41.243 1.00 0.00 ATOM 551 CG2 ILE A 74 -27.228 70.118 41.506 1.00 0.00 ATOM 552 CD1 ILE A 74 -24.243 70.549 40.746 1.00 0.00 ATOM 553 O ILE A 74 -29.173 71.639 38.991 1.00 0.00 ATOM 554 C ILE A 74 -28.222 70.875 38.859 1.00 0.00 ATOM 555 N LEU A 75 -28.358 69.648 38.328 1.00 0.00 ATOM 556 CA LEU A 75 -29.667 69.144 37.903 1.00 0.00 ATOM 557 CB LEU A 75 -29.526 67.765 37.255 1.00 0.00 ATOM 558 CG LEU A 75 -28.810 67.723 35.902 1.00 0.00 ATOM 559 CD1 LEU A 75 -28.593 66.285 35.455 1.00 0.00 ATOM 560 CD2 LEU A 75 -29.630 68.434 34.837 1.00 0.00 ATOM 561 O LEU A 75 -31.840 69.222 38.933 1.00 0.00 ATOM 562 C LEU A 75 -30.625 69.013 39.093 1.00 0.00 ATOM 563 N PRO A 76 -30.090 68.668 40.273 1.00 0.00 ATOM 564 CA PRO A 76 -30.950 68.472 41.432 1.00 0.00 ATOM 565 CB PRO A 76 -30.072 67.652 42.398 1.00 0.00 ATOM 566 CG PRO A 76 -29.019 67.070 41.525 1.00 0.00 ATOM 567 CD PRO A 76 -28.740 68.149 40.537 1.00 0.00 ATOM 568 O PRO A 76 -32.458 69.755 42.806 1.00 0.00 ATOM 569 C PRO A 76 -31.558 69.782 41.953 1.00 0.00 ATOM 570 N ARG A 77 -31.099 70.858 41.190 1.00 0.00 ATOM 571 CA ARG A 77 -31.709 72.153 41.533 1.00 0.00 ATOM 572 CB ARG A 77 -30.687 73.015 42.434 1.00 0.00 ATOM 573 CG ARG A 77 -29.361 73.368 41.808 1.00 0.00 ATOM 574 CD ARG A 77 -28.594 74.440 42.605 1.00 0.00 ATOM 575 NE ARG A 77 -28.397 74.224 43.988 1.00 0.00 ATOM 576 CZ ARG A 77 -27.510 73.411 44.602 1.00 0.00 ATOM 577 NH1 ARG A 77 -26.751 72.719 43.738 1.00 0.00 ATOM 578 NH2 ARG A 77 -27.553 73.463 45.931 1.00 0.00 ATOM 579 O ARG A 77 -33.164 73.786 40.592 1.00 0.00 ATOM 580 C ARG A 77 -32.621 72.684 40.444 1.00 0.00 ATOM 581 N GLU A 78 -32.845 71.904 39.377 1.00 0.00 ATOM 582 CA GLU A 78 -33.846 72.239 38.374 1.00 0.00 ATOM 583 CB GLU A 78 -33.859 71.191 37.260 1.00 0.00 ATOM 584 CG GLU A 78 -32.635 71.227 36.360 1.00 0.00 ATOM 585 CD GLU A 78 -32.623 70.100 35.346 1.00 0.00 ATOM 586 OE1 GLU A 78 -33.535 69.248 35.395 1.00 0.00 ATOM 587 OE2 GLU A 78 -31.702 70.069 34.502 1.00 0.00 ATOM 588 O GLU A 78 -36.033 73.173 38.756 1.00 0.00 ATOM 589 C GLU A 78 -35.225 72.284 39.033 1.00 0.00 ATOM 590 N MET A 79 -35.491 71.323 39.909 1.00 0.00 ATOM 591 CA MET A 79 -36.774 71.264 40.610 1.00 0.00 ATOM 592 CB MET A 79 -37.084 69.830 41.041 1.00 0.00 ATOM 593 CG MET A 79 -37.250 68.857 39.886 1.00 0.00 ATOM 594 SD MET A 79 -38.571 69.339 38.757 1.00 0.00 ATOM 595 CE MET A 79 -40.010 69.109 39.798 1.00 0.00 ATOM 596 O MET A 79 -37.812 72.435 42.437 1.00 0.00 ATOM 597 C MET A 79 -36.764 72.144 41.863 1.00 0.00 ATOM 598 N VAL A 80 -35.579 72.560 42.282 1.00 0.00 ATOM 599 CA VAL A 80 -35.435 73.348 43.496 1.00 0.00 ATOM 600 CB VAL A 80 -34.023 73.954 43.611 1.00 0.00 ATOM 601 CG1 VAL A 80 -33.960 74.940 44.768 1.00 0.00 ATOM 602 CG2 VAL A 80 -32.993 72.862 43.854 1.00 0.00 ATOM 603 O VAL A 80 -37.104 74.673 44.618 1.00 0.00 ATOM 604 C VAL A 80 -36.388 74.547 43.614 1.00 0.00 ATOM 605 N PRO A 81 -36.472 75.544 42.632 1.00 0.00 ATOM 606 CA PRO A 81 -37.370 76.697 42.794 1.00 0.00 ATOM 607 CB PRO A 81 -37.177 77.467 41.492 1.00 0.00 ATOM 608 CG PRO A 81 -35.722 77.237 41.207 1.00 0.00 ATOM 609 CD PRO A 81 -35.585 75.737 41.470 1.00 0.00 ATOM 610 O PRO A 81 -39.541 76.804 43.815 1.00 0.00 ATOM 611 C PRO A 81 -38.835 76.290 42.949 1.00 0.00 ATOM 612 N SER A 82 -39.280 75.357 42.111 1.00 0.00 ATOM 613 CA SER A 82 -40.661 74.879 42.151 1.00 0.00 ATOM 614 CB SER A 82 -40.929 73.917 40.990 1.00 0.00 ATOM 615 OG SER A 82 -40.726 74.552 39.740 1.00 0.00 ATOM 616 O SER A 82 -42.031 74.369 44.059 1.00 0.00 ATOM 617 C SER A 82 -40.965 74.171 43.470 1.00 0.00 ATOM 618 N LEU A 83 -40.014 73.377 43.946 1.00 0.00 ATOM 619 CA LEU A 83 -40.193 72.660 45.200 1.00 0.00 ATOM 620 CB LEU A 83 -39.053 71.654 45.419 1.00 0.00 ATOM 621 CG LEU A 83 -39.155 70.758 46.663 1.00 0.00 ATOM 622 CD1 LEU A 83 -40.407 69.895 46.571 1.00 0.00 ATOM 623 CD2 LEU A 83 -37.920 69.874 46.779 1.00 0.00 ATOM 624 O LEU A 83 -41.116 73.584 47.222 1.00 0.00 ATOM 625 C LEU A 83 -40.238 73.660 46.359 1.00 0.00 ATOM 626 N VAL A 84 -39.294 74.598 46.372 1.00 0.00 ATOM 627 CA VAL A 84 -39.263 75.597 47.450 1.00 0.00 ATOM 628 CB VAL A 84 -38.089 76.579 47.277 1.00 0.00 ATOM 629 CG1 VAL A 84 -38.192 77.716 48.281 1.00 0.00 ATOM 630 CG2 VAL A 84 -36.763 75.867 47.493 1.00 0.00 ATOM 631 O VAL A 84 -41.041 76.815 48.509 1.00 0.00 ATOM 632 C VAL A 84 -40.507 76.486 47.449 1.00 0.00 ATOM 633 N ASP A 85 -40.965 76.854 46.276 1.00 0.00 ATOM 634 CA ASP A 85 -42.164 77.684 46.180 1.00 0.00 ATOM 635 CB ASP A 85 -42.468 77.997 44.713 1.00 0.00 ATOM 636 CG ASP A 85 -41.432 78.906 44.083 1.00 0.00 ATOM 637 OD1 ASP A 85 -40.617 79.486 44.832 1.00 0.00 ATOM 638 OD2 ASP A 85 -41.435 79.040 42.841 1.00 0.00 ATOM 639 O ASP A 85 -44.073 77.619 47.634 1.00 0.00 ATOM 640 C ASP A 85 -43.379 77.013 46.825 1.00 0.00 ATOM 641 N GLU A 86 -43.627 75.672 46.530 1.00 0.00 ATOM 642 CA GLU A 86 -44.737 74.938 47.131 1.00 0.00 ATOM 643 CB GLU A 86 -44.796 73.512 46.581 1.00 0.00 ATOM 644 CG GLU A 86 -45.241 73.424 45.130 1.00 0.00 ATOM 645 CD GLU A 86 -45.170 72.012 44.583 1.00 0.00 ATOM 646 OE1 GLU A 86 -44.703 71.115 45.316 1.00 0.00 ATOM 647 OE2 GLU A 86 -45.582 71.803 43.422 1.00 0.00 ATOM 648 O GLU A 86 -45.586 74.884 49.378 1.00 0.00 ATOM 649 C GLU A 86 -44.591 74.841 48.647 1.00 0.00 ATOM 650 N ALA A 87 -43.351 74.717 49.117 1.00 0.00 ATOM 651 CA ALA A 87 -43.072 74.612 50.548 1.00 0.00 ATOM 652 CB ALA A 87 -41.636 74.171 50.779 1.00 0.00 ATOM 653 O ALA A 87 -43.309 75.965 52.528 1.00 0.00 ATOM 654 C ALA A 87 -43.274 75.943 51.290 1.00 0.00 ATOM 655 N GLY A 88 -43.403 77.029 50.539 1.00 0.00 ATOM 656 CA GLY A 88 -43.623 78.328 51.160 1.00 0.00 ATOM 657 O GLY A 88 -42.663 80.459 51.635 1.00 0.00 ATOM 658 C GLY A 88 -42.564 79.406 51.003 1.00 0.00 ATOM 659 N TYR A 89 -41.539 79.155 50.192 1.00 0.00 ATOM 660 CA TYR A 89 -40.468 80.123 49.999 1.00 0.00 ATOM 661 CB TYR A 89 -39.120 79.411 49.870 1.00 0.00 ATOM 662 CG TYR A 89 -38.650 78.754 51.148 1.00 0.00 ATOM 663 CD1 TYR A 89 -38.915 77.414 51.398 1.00 0.00 ATOM 664 CD2 TYR A 89 -37.941 79.476 52.101 1.00 0.00 ATOM 665 CE1 TYR A 89 -38.490 76.805 52.564 1.00 0.00 ATOM 666 CE2 TYR A 89 -37.507 78.883 53.271 1.00 0.00 ATOM 667 CZ TYR A 89 -37.788 77.536 53.498 1.00 0.00 ATOM 668 OH TYR A 89 -37.364 76.933 54.658 1.00 0.00 ATOM 669 O TYR A 89 -41.097 80.391 47.699 1.00 0.00 ATOM 670 C TYR A 89 -40.708 80.936 48.731 1.00 0.00 ATOM 671 N PHE A 90 -40.486 82.244 48.810 1.00 0.00 ATOM 672 CA PHE A 90 -40.675 83.101 47.648 1.00 0.00 ATOM 673 CB PHE A 90 -40.185 84.506 47.975 1.00 0.00 ATOM 674 CG PHE A 90 -41.001 85.179 49.044 1.00 0.00 ATOM 675 CD1 PHE A 90 -42.052 86.026 48.705 1.00 0.00 ATOM 676 CD2 PHE A 90 -40.746 84.935 50.391 1.00 0.00 ATOM 677 CE1 PHE A 90 -42.839 86.620 49.690 1.00 0.00 ATOM 678 CE2 PHE A 90 -41.529 85.525 51.383 1.00 0.00 ATOM 679 CZ PHE A 90 -42.577 86.370 51.031 1.00 0.00 ATOM 680 O PHE A 90 -38.683 82.226 46.627 1.00 0.00 ATOM 681 C PHE A 90 -39.860 82.563 46.475 1.00 0.00 ATOM 682 N TRP A 91 -40.488 82.476 45.308 1.00 0.00 ATOM 683 CA TRP A 91 -39.804 81.972 44.123 1.00 0.00 ATOM 684 CB TRP A 91 -40.697 82.115 42.888 1.00 0.00 ATOM 685 CG TRP A 91 -40.126 81.477 41.658 1.00 0.00 ATOM 686 CD1 TRP A 91 -39.016 80.685 41.586 1.00 0.00 ATOM 687 CD2 TRP A 91 -40.635 81.579 40.323 1.00 0.00 ATOM 688 CE2 TRP A 91 -39.784 80.822 39.494 1.00 0.00 ATOM 689 CE3 TRP A 91 -41.727 82.235 39.747 1.00 0.00 ATOM 690 NE1 TRP A 91 -38.804 80.285 40.288 1.00 0.00 ATOM 691 CZ2 TRP A 91 -39.992 80.703 38.120 1.00 0.00 ATOM 692 CZ3 TRP A 91 -41.929 82.115 38.386 1.00 0.00 ATOM 693 CH2 TRP A 91 -41.068 81.357 37.586 1.00 0.00 ATOM 694 O TRP A 91 -37.501 82.192 43.469 1.00 0.00 ATOM 695 C TRP A 91 -38.514 82.756 43.881 1.00 0.00 ATOM 696 N HIS A 92 -38.552 84.058 44.153 1.00 0.00 ATOM 697 CA HIS A 92 -37.385 84.923 43.993 1.00 0.00 ATOM 698 CB HIS A 92 -37.618 86.250 44.656 1.00 0.00 ATOM 699 CG HIS A 92 -36.510 87.218 44.420 1.00 0.00 ATOM 700 CD2 HIS A 92 -35.984 87.697 43.268 1.00 0.00 ATOM 701 ND1 HIS A 92 -35.798 87.813 45.445 1.00 0.00 ATOM 702 CE1 HIS A 92 -34.880 88.616 44.929 1.00 0.00 ATOM 703 NE2 HIS A 92 -34.974 88.564 43.610 1.00 0.00 ATOM 704 O HIS A 92 -35.057 84.320 44.048 1.00 0.00 ATOM 705 C HIS A 92 -36.133 84.331 44.645 1.00 0.00 ATOM 706 N GLN A 93 -36.281 83.857 46.004 1.00 0.00 ATOM 707 CA GLN A 93 -35.159 83.260 46.725 1.00 0.00 ATOM 708 CB GLN A 93 -35.598 82.996 48.194 1.00 0.00 ATOM 709 CG GLN A 93 -35.783 84.263 49.017 1.00 0.00 ATOM 710 CD GLN A 93 -36.073 83.976 50.475 1.00 0.00 ATOM 711 OE1 GLN A 93 -37.175 83.544 50.830 1.00 0.00 ATOM 712 NE2 GLN A 93 -35.078 84.201 51.330 1.00 0.00 ATOM 713 O GLN A 93 -33.474 81.704 46.029 1.00 0.00 ATOM 714 C GLN A 93 -34.677 81.965 46.086 1.00 0.00 ATOM 715 N SER A 94 -35.611 81.150 45.607 1.00 0.00 ATOM 716 CA SER A 94 -35.235 79.897 44.967 1.00 0.00 ATOM 717 CB SER A 94 -36.478 79.066 44.645 1.00 0.00 ATOM 718 OG SER A 94 -37.274 79.701 43.659 1.00 0.00 ATOM 719 O SER A 94 -33.528 79.494 43.326 1.00 0.00 ATOM 720 C SER A 94 -34.459 80.210 43.694 1.00 0.00 ATOM 721 N ILE A 95 -34.842 81.288 43.016 1.00 0.00 ATOM 722 CA ILE A 95 -34.172 81.710 41.791 1.00 0.00 ATOM 723 CB ILE A 95 -34.949 82.834 41.079 1.00 0.00 ATOM 724 CG1 ILE A 95 -36.287 82.308 40.557 1.00 0.00 ATOM 725 CG2 ILE A 95 -34.149 83.371 39.902 1.00 0.00 ATOM 726 CD1 ILE A 95 -37.226 83.396 40.082 1.00 0.00 ATOM 727 O ILE A 95 -31.799 81.881 41.443 1.00 0.00 ATOM 728 C ILE A 95 -32.771 82.228 42.117 1.00 0.00 ATOM 729 N PHE A 96 -32.670 83.076 43.128 1.00 0.00 ATOM 730 CA PHE A 96 -31.387 83.637 43.538 1.00 0.00 ATOM 731 CB PHE A 96 -31.484 84.225 44.947 1.00 0.00 ATOM 732 CG PHE A 96 -30.203 84.835 45.438 1.00 0.00 ATOM 733 CD1 PHE A 96 -29.841 86.118 45.063 1.00 0.00 ATOM 734 CD2 PHE A 96 -29.358 84.128 46.276 1.00 0.00 ATOM 735 CE1 PHE A 96 -28.663 86.681 45.514 1.00 0.00 ATOM 736 CE2 PHE A 96 -28.179 84.691 46.728 1.00 0.00 ATOM 737 CZ PHE A 96 -27.830 85.961 46.351 1.00 0.00 ATOM 738 O PHE A 96 -29.139 82.862 43.082 1.00 0.00 ATOM 739 C PHE A 96 -30.238 82.645 43.569 1.00 0.00 ATOM 740 N GLU A 97 -30.446 81.462 44.205 1.00 0.00 ATOM 741 CA GLU A 97 -29.404 80.469 44.303 1.00 0.00 ATOM 742 CB GLU A 97 -29.871 79.286 45.153 1.00 0.00 ATOM 743 CG GLU A 97 -30.024 79.605 46.631 1.00 0.00 ATOM 744 CD GLU A 97 -30.604 78.448 47.421 1.00 0.00 ATOM 745 OE1 GLU A 97 -30.957 77.424 46.801 1.00 0.00 ATOM 746 OE2 GLU A 97 -30.707 78.568 48.659 1.00 0.00 ATOM 747 O GLU A 97 -27.857 79.642 42.663 1.00 0.00 ATOM 748 C GLU A 97 -29.020 79.946 42.924 1.00 0.00 ATOM 749 N GLU A 98 -30.022 79.838 42.055 1.00 0.00 ATOM 750 CA GLU A 98 -29.779 79.366 40.694 1.00 0.00 ATOM 751 CB GLU A 98 -31.103 79.119 39.967 1.00 0.00 ATOM 752 CG GLU A 98 -31.925 77.980 40.549 1.00 0.00 ATOM 753 CD GLU A 98 -31.189 76.655 40.517 1.00 0.00 ATOM 754 OE1 GLU A 98 -30.752 76.245 39.422 1.00 0.00 ATOM 755 OE2 GLU A 98 -31.051 76.026 41.587 1.00 0.00 ATOM 756 O GLU A 98 -28.254 79.943 38.919 1.00 0.00 ATOM 757 C GLU A 98 -28.889 80.335 39.900 1.00 0.00 ATOM 758 N LYS A 99 -28.840 81.583 40.333 1.00 0.00 ATOM 759 CA LYS A 99 -28.040 82.598 39.646 1.00 0.00 ATOM 760 CB LYS A 99 -28.759 83.947 39.689 1.00 0.00 ATOM 761 CG LYS A 99 -30.104 83.955 38.981 1.00 0.00 ATOM 762 CD LYS A 99 -30.754 85.329 39.045 1.00 0.00 ATOM 763 CE LYS A 99 -32.124 85.323 38.388 1.00 0.00 ATOM 764 NZ LYS A 99 -32.748 86.674 38.393 1.00 0.00 ATOM 765 O LYS A 99 -25.946 83.784 39.887 1.00 0.00 ATOM 766 C LYS A 99 -26.621 82.797 40.207 1.00 0.00 ATOM 767 N VAL A 100 -26.176 81.853 41.042 1.00 0.00 ATOM 768 CA VAL A 100 -24.842 81.939 41.604 1.00 0.00 ATOM 769 CB VAL A 100 -24.851 81.914 43.150 1.00 0.00 ATOM 770 CG1 VAL A 100 -25.536 83.167 43.690 1.00 0.00 ATOM 771 CG2 VAL A 100 -25.551 80.664 43.648 1.00 0.00 ATOM 772 O VAL A 100 -24.720 79.781 40.582 1.00 0.00 ATOM 773 C VAL A 100 -24.102 80.722 41.072 1.00 0.00 ATOM 774 N ASN A 101 -22.796 80.746 41.074 1.00 0.00 ATOM 775 CA ASN A 101 -21.997 79.612 40.642 1.00 0.00 ATOM 776 CB ASN A 101 -20.499 79.913 40.696 1.00 0.00 ATOM 777 CG ASN A 101 -20.071 80.935 39.662 1.00 0.00 ATOM 778 ND2 ASN A 101 -18.902 81.531 39.867 1.00 0.00 ATOM 779 OD1 ASN A 101 -20.785 81.184 38.688 1.00 0.00 ATOM 780 O ASN A 101 -22.773 78.628 42.701 1.00 0.00 ATOM 781 C ASN A 101 -22.347 78.433 41.559 1.00 0.00 ATOM 782 N LEU A 102 -22.157 77.211 41.080 1.00 0.00 ATOM 783 CA LEU A 102 -22.486 76.048 41.897 1.00 0.00 ATOM 784 CB LEU A 102 -22.033 74.759 41.256 1.00 0.00 ATOM 785 CG LEU A 102 -22.346 73.495 42.059 1.00 0.00 ATOM 786 CD1 LEU A 102 -23.833 73.337 42.351 1.00 0.00 ATOM 787 CD2 LEU A 102 -21.831 72.268 41.310 1.00 0.00 ATOM 788 O LEU A 102 -22.598 75.885 44.274 1.00 0.00 ATOM 789 C LEU A 102 -21.881 76.061 43.299 1.00 0.00 ATOM 790 N GLU A 103 -20.500 75.586 43.549 1.00 0.00 ATOM 791 CA GLU A 103 -20.058 75.642 44.931 1.00 0.00 ATOM 792 CB GLU A 103 -18.532 75.702 45.004 1.00 0.00 ATOM 793 CG GLU A 103 -17.976 75.692 46.417 1.00 0.00 ATOM 794 CD GLU A 103 -16.461 75.660 46.449 1.00 0.00 ATOM 795 OE1 GLU A 103 -15.845 75.618 45.363 1.00 0.00 ATOM 796 OE2 GLU A 103 -15.888 75.676 47.559 1.00 0.00 ATOM 797 O GLU A 103 -20.798 76.691 46.942 1.00 0.00 ATOM 798 C GLU A 103 -20.563 76.819 45.746 1.00 0.00 ATOM 799 N GLU A 104 -20.774 78.000 45.090 1.00 0.00 ATOM 800 CA GLU A 104 -21.340 79.119 45.833 1.00 0.00 ATOM 801 CB GLU A 104 -21.265 80.381 44.970 1.00 0.00 ATOM 802 CG GLU A 104 -19.851 80.883 44.727 1.00 0.00 ATOM 803 CD GLU A 104 -19.805 82.057 43.770 1.00 0.00 ATOM 804 OE1 GLU A 104 -20.873 82.434 43.241 1.00 0.00 ATOM 805 OE2 GLU A 104 -18.704 82.602 43.550 1.00 0.00 ATOM 806 O GLU A 104 -23.219 79.252 47.331 1.00 0.00 ATOM 807 C GLU A 104 -22.812 78.896 46.232 1.00 0.00 ATOM 808 N VAL A 105 -23.604 78.356 45.305 1.00 0.00 ATOM 809 CA VAL A 105 -25.004 78.074 45.553 1.00 0.00 ATOM 810 CB VAL A 105 -25.686 77.314 44.436 1.00 0.00 ATOM 811 CG1 VAL A 105 -27.118 76.976 44.821 1.00 0.00 ATOM 812 CG2 VAL A 105 -25.685 78.190 43.176 1.00 0.00 ATOM 813 O VAL A 105 -25.864 77.305 47.656 1.00 0.00 ATOM 814 C VAL A 105 -25.123 77.085 46.702 1.00 0.00 ATOM 815 N TYR A 106 -24.374 75.995 46.608 1.00 0.00 ATOM 816 CA TYR A 106 -24.387 74.963 47.624 1.00 0.00 ATOM 817 CB TYR A 106 -23.416 73.819 47.167 1.00 0.00 ATOM 818 CG TYR A 106 -23.436 72.596 48.051 1.00 0.00 ATOM 819 CD1 TYR A 106 -24.336 71.557 47.815 1.00 0.00 ATOM 820 CD2 TYR A 106 -22.585 72.495 49.151 1.00 0.00 ATOM 821 CE1 TYR A 106 -24.390 70.449 48.652 1.00 0.00 ATOM 822 CE2 TYR A 106 -22.633 71.386 49.996 1.00 0.00 ATOM 823 CZ TYR A 106 -23.538 70.372 49.740 1.00 0.00 ATOM 824 OH TYR A 106 -23.605 69.284 50.573 1.00 0.00 ATOM 825 O TYR A 106 -24.658 75.184 49.994 1.00 0.00 ATOM 826 C TYR A 106 -24.015 75.512 48.994 1.00 0.00 ATOM 827 N ASN A 107 -22.980 76.376 49.039 1.00 0.00 ATOM 828 CA ASN A 107 -22.556 76.957 50.308 1.00 0.00 ATOM 829 CB ASN A 107 -21.309 77.818 50.107 1.00 0.00 ATOM 830 CG ASN A 107 -20.078 76.994 49.780 1.00 0.00 ATOM 831 ND2 ASN A 107 -19.082 77.635 49.178 1.00 0.00 ATOM 832 OD1 ASN A 107 -20.026 75.798 50.064 1.00 0.00 ATOM 833 O ASN A 107 -24.030 77.714 52.091 1.00 0.00 ATOM 834 C ASN A 107 -23.700 77.810 50.905 1.00 0.00 ATOM 835 N GLU A 108 -24.316 78.623 50.052 1.00 0.00 ATOM 836 CA GLU A 108 -25.423 79.491 50.429 1.00 0.00 ATOM 837 CB GLU A 108 -25.876 80.329 49.231 1.00 0.00 ATOM 838 CG GLU A 108 -24.888 81.407 48.817 1.00 0.00 ATOM 839 CD GLU A 108 -25.312 82.135 47.557 1.00 0.00 ATOM 840 OE1 GLU A 108 -26.341 81.746 46.966 1.00 0.00 ATOM 841 OE2 GLU A 108 -24.617 83.093 47.161 1.00 0.00 ATOM 842 O GLU A 108 -27.362 79.158 51.826 1.00 0.00 ATOM 843 C GLU A 108 -26.653 78.710 50.916 1.00 0.00 ATOM 844 N TRP A 109 -26.893 77.545 50.313 1.00 0.00 ATOM 845 CA TRP A 109 -27.992 76.655 50.678 1.00 0.00 ATOM 846 CB TRP A 109 -28.104 75.503 49.678 1.00 0.00 ATOM 847 CG TRP A 109 -29.211 74.542 49.993 1.00 0.00 ATOM 848 CD1 TRP A 109 -30.523 74.657 49.636 1.00 0.00 ATOM 849 CD2 TRP A 109 -29.099 73.318 50.729 1.00 0.00 ATOM 850 CE2 TRP A 109 -30.386 72.744 50.778 1.00 0.00 ATOM 851 CE3 TRP A 109 -28.040 72.650 51.350 1.00 0.00 ATOM 852 NE1 TRP A 109 -31.237 73.581 50.103 1.00 0.00 ATOM 853 CZ2 TRP A 109 -30.640 71.536 51.425 1.00 0.00 ATOM 854 CZ3 TRP A 109 -28.297 71.452 51.990 1.00 0.00 ATOM 855 CH2 TRP A 109 -29.584 70.905 52.025 1.00 0.00 ATOM 856 O TRP A 109 -28.559 76.101 52.965 1.00 0.00 ATOM 857 C TRP A 109 -27.703 76.093 52.081 1.00 0.00 ATOM 858 N ASP A 110 -26.495 75.584 52.278 1.00 0.00 ATOM 859 CA ASP A 110 -26.133 75.022 53.565 1.00 0.00 ATOM 860 CB ASP A 110 -24.698 74.490 53.532 1.00 0.00 ATOM 861 CG ASP A 110 -24.350 73.681 54.767 1.00 0.00 ATOM 862 OD1 ASP A 110 -25.256 73.430 55.589 1.00 0.00 ATOM 863 OD2 ASP A 110 -23.170 73.296 54.910 1.00 0.00 ATOM 864 O ASP A 110 -26.624 75.746 55.811 1.00 0.00 ATOM 865 C ASP A 110 -26.218 76.066 54.693 1.00 0.00 ATOM 866 N ALA A 111 -21.743 75.493 52.138 1.00 0.00 ATOM 867 CA ALA A 111 -21.201 75.758 53.468 1.00 0.00 ATOM 868 CB ALA A 111 -22.268 76.406 54.360 1.00 0.00 ATOM 869 O ALA A 111 -19.625 74.482 54.798 1.00 0.00 ATOM 870 C ALA A 111 -20.618 74.467 54.060 1.00 0.00 ATOM 871 N GLN A 112 -21.266 73.342 53.785 1.00 0.00 ATOM 872 CA GLN A 112 -20.772 72.059 54.283 1.00 0.00 ATOM 873 CB GLN A 112 -21.863 70.984 54.037 1.00 0.00 ATOM 874 CG GLN A 112 -21.426 69.556 54.325 1.00 0.00 ATOM 875 CD GLN A 112 -22.588 68.579 54.333 1.00 0.00 ATOM 876 OE1 GLN A 112 -23.512 68.684 53.523 1.00 0.00 ATOM 877 NE2 GLN A 112 -22.533 67.607 55.235 1.00 0.00 ATOM 878 O GLN A 112 -18.573 71.143 54.327 1.00 0.00 ATOM 879 C GLN A 112 -19.430 71.704 53.646 1.00 0.00 ATOM 880 N ILE A 113 -19.247 72.008 52.353 1.00 0.00 ATOM 881 CA ILE A 113 -17.958 71.745 51.713 1.00 0.00 ATOM 882 CB ILE A 113 -18.001 72.051 50.201 1.00 0.00 ATOM 883 CG1 ILE A 113 -18.975 71.128 49.476 1.00 0.00 ATOM 884 CG2 ILE A 113 -16.589 71.892 49.626 1.00 0.00 ATOM 885 CD1 ILE A 113 -19.209 71.571 48.024 1.00 0.00 ATOM 886 O ILE A 113 -15.752 72.086 52.602 1.00 0.00 ATOM 887 C ILE A 113 -16.862 72.574 52.368 1.00 0.00 ATOM 888 N ILE A 114 -17.143 73.843 52.646 1.00 0.00 ATOM 889 CA ILE A 114 -16.188 74.741 53.286 1.00 0.00 ATOM 890 CB ILE A 114 -16.775 76.159 53.365 1.00 0.00 ATOM 891 CG1 ILE A 114 -16.896 76.719 51.936 1.00 0.00 ATOM 892 CG2 ILE A 114 -15.926 77.081 54.210 1.00 0.00 ATOM 893 CD1 ILE A 114 -17.935 77.821 51.804 1.00 0.00 ATOM 894 O ILE A 114 -14.683 73.880 54.943 1.00 0.00 ATOM 895 C ILE A 114 -15.850 74.127 54.647 1.00 0.00 ATOM 896 N SER A 115 -16.863 73.961 55.493 1.00 0.00 ATOM 897 CA SER A 115 -16.647 73.390 56.823 1.00 0.00 ATOM 898 CB SER A 115 -17.958 73.309 57.608 1.00 0.00 ATOM 899 OG SER A 115 -18.952 72.619 56.870 1.00 0.00 ATOM 900 O SER A 115 -15.253 71.578 57.534 1.00 0.00 ATOM 901 C SER A 115 -16.065 71.977 56.697 1.00 0.00 ATOM 902 N PHE A 116 -16.463 71.240 55.651 1.00 0.00 ATOM 903 CA PHE A 116 -15.899 69.893 55.457 1.00 0.00 ATOM 904 CB PHE A 116 -16.738 69.155 54.417 1.00 0.00 ATOM 905 CG PHE A 116 -16.070 67.932 53.912 1.00 0.00 ATOM 906 CD1 PHE A 116 -16.190 66.753 54.604 1.00 0.00 ATOM 907 CD2 PHE A 116 -15.262 67.987 52.799 1.00 0.00 ATOM 908 CE1 PHE A 116 -15.572 65.633 54.190 1.00 0.00 ATOM 909 CE2 PHE A 116 -14.642 66.822 52.349 1.00 0.00 ATOM 910 CZ PHE A 116 -14.817 65.652 53.046 1.00 0.00 ATOM 911 O PHE A 116 -13.585 69.268 55.606 1.00 0.00 ATOM 912 C PHE A 116 -14.419 70.029 55.116 1.00 0.00 ATOM 913 N MET A 117 -14.092 71.005 54.290 1.00 0.00 ATOM 914 CA MET A 117 -12.688 71.199 53.903 1.00 0.00 ATOM 915 CB MET A 117 -12.626 72.677 53.039 1.00 0.00 ATOM 916 CG MET A 117 -11.735 72.927 51.842 1.00 0.00 ATOM 917 SD MET A 117 -12.035 74.700 51.317 1.00 0.00 ATOM 918 CE MET A 117 -13.453 74.284 50.308 1.00 0.00 ATOM 919 O MET A 117 -10.679 71.291 55.250 1.00 0.00 ATOM 920 C MET A 117 -11.862 71.658 55.100 1.00 0.00 ATOM 921 N LYS A 118 -12.477 72.448 55.975 1.00 0.00 ATOM 922 CA LYS A 118 -11.764 72.915 57.157 1.00 0.00 ATOM 923 CB LYS A 118 -12.503 74.058 57.832 1.00 0.00 ATOM 924 CG LYS A 118 -12.382 75.343 57.051 1.00 0.00 ATOM 925 CD LYS A 118 -13.047 76.510 57.741 1.00 0.00 ATOM 926 CE LYS A 118 -12.744 77.791 56.971 1.00 0.00 ATOM 927 NZ LYS A 118 -13.357 78.995 57.593 1.00 0.00 ATOM 928 O LYS A 118 -10.392 71.665 58.714 1.00 0.00 ATOM 929 C LYS A 118 -11.483 71.769 58.133 1.00 0.00 ATOM 930 N SER A 119 -10.497 73.644 57.986 1.00 0.00 ATOM 931 CA SER A 119 -9.039 73.601 57.778 1.00 0.00 ATOM 932 CB SER A 119 -8.667 72.476 56.812 1.00 0.00 ATOM 933 OG SER A 119 -9.172 72.733 55.512 1.00 0.00 ATOM 934 O SER A 119 -7.209 75.065 57.283 1.00 0.00 ATOM 935 C SER A 119 -8.434 74.858 57.202 1.00 0.00 ATOM 936 N GLY A 120 -9.270 75.679 56.572 1.00 0.00 ATOM 937 CA GLY A 120 -8.777 76.916 55.968 1.00 0.00 ATOM 938 O GLY A 120 -7.934 77.684 53.894 1.00 0.00 ATOM 939 C GLY A 120 -8.290 76.710 54.550 1.00 0.00 ATOM 940 N ARG A 121 -8.431 75.548 54.023 1.00 0.00 ATOM 941 CA ARG A 121 -7.980 75.236 52.661 1.00 0.00 ATOM 942 CB ARG A 121 -6.459 75.096 52.727 1.00 0.00 ATOM 943 CG ARG A 121 -5.979 73.915 53.554 1.00 0.00 ATOM 944 CD ARG A 121 -4.463 73.811 53.541 1.00 0.00 ATOM 945 NE ARG A 121 -3.978 72.768 54.441 1.00 0.00 ATOM 946 CZ ARG A 121 -3.872 71.485 54.108 1.00 0.00 ATOM 947 NH1 ARG A 121 -3.420 70.606 54.993 1.00 0.00 ATOM 948 NH2 ARG A 121 -4.217 71.084 52.893 1.00 0.00 ATOM 949 O ARG A 121 -9.177 73.213 53.008 1.00 0.00 ATOM 950 C ARG A 121 -8.613 73.937 52.211 1.00 0.00 ATOM 951 N ARG A 122 -8.532 73.687 50.918 1.00 0.00 ATOM 952 CA ARG A 122 -8.886 72.398 50.332 1.00 0.00 ATOM 953 CB ARG A 122 -10.063 72.552 49.367 1.00 0.00 ATOM 954 CG ARG A 122 -10.540 71.245 48.756 1.00 0.00 ATOM 955 CD ARG A 122 -11.724 71.469 47.829 1.00 0.00 ATOM 956 NE ARG A 122 -11.340 72.178 46.612 1.00 0.00 ATOM 957 CZ ARG A 122 -12.197 72.573 45.675 1.00 0.00 ATOM 958 NH1 ARG A 122 -11.755 73.213 44.601 1.00 0.00 ATOM 959 NH2 ARG A 122 -13.492 72.329 45.815 1.00 0.00 ATOM 960 O ARG A 122 -6.931 72.607 48.934 1.00 0.00 ATOM 961 C ARG A 122 -7.691 71.839 49.567 1.00 0.00 ATOM 962 N PRO A 123 -7.530 70.513 49.607 1.00 0.00 ATOM 963 CA PRO A 123 -6.529 69.841 48.787 1.00 0.00 ATOM 964 CB PRO A 123 -6.369 68.472 49.450 1.00 0.00 ATOM 965 CG PRO A 123 -7.700 68.193 50.063 1.00 0.00 ATOM 966 CD PRO A 123 -8.226 69.520 50.537 1.00 0.00 ATOM 967 O PRO A 123 -6.159 69.254 46.510 1.00 0.00 ATOM 968 C PRO A 123 -6.966 69.695 47.350 1.00 0.00 ATOM 969 N ASP A 124 -8.253 69.971 47.100 1.00 0.00 ATOM 970 CA ASP A 124 -8.828 69.853 45.743 1.00 0.00 ATOM 971 CB ASP A 124 -8.032 70.701 44.750 1.00 0.00 ATOM 972 CG ASP A 124 -8.124 72.186 45.046 1.00 0.00 ATOM 973 OD1 ASP A 124 -9.255 72.692 45.197 1.00 0.00 ATOM 974 OD2 ASP A 124 -7.064 72.842 45.126 1.00 0.00 ATOM 975 O ASP A 124 -8.853 68.180 44.029 1.00 0.00 ATOM 976 C ASP A 124 -8.809 68.418 45.229 1.00 0.00 ATOM 977 N HIS A 125 -8.841 67.466 46.164 1.00 0.00 ATOM 978 CA HIS A 125 -8.914 66.043 45.821 1.00 0.00 ATOM 979 CB HIS A 125 -7.746 65.324 46.528 1.00 0.00 ATOM 980 CG HIS A 125 -6.417 65.799 46.062 1.00 0.00 ATOM 981 CD2 HIS A 125 -5.789 65.870 44.879 1.00 0.00 ATOM 982 ND1 HIS A 125 -5.488 66.352 46.831 1.00 0.00 ATOM 983 CE1 HIS A 125 -4.389 66.754 46.343 1.00 0.00 ATOM 984 NE2 HIS A 125 -4.571 66.427 45.064 1.00 0.00 ATOM 985 O HIS A 125 -10.683 65.501 47.362 1.00 0.00 ATOM 986 C HIS A 125 -10.253 65.404 46.196 1.00 0.00 ATOM 987 N ILE A 126 -10.906 64.818 45.247 1.00 0.00 ATOM 988 CA ILE A 126 -12.208 64.209 45.505 1.00 0.00 ATOM 989 CB ILE A 126 -13.245 64.796 44.529 1.00 0.00 ATOM 990 CG1 ILE A 126 -13.424 66.290 44.795 1.00 0.00 ATOM 991 CG2 ILE A 126 -14.569 64.072 44.684 1.00 0.00 ATOM 992 CD1 ILE A 126 -14.327 66.988 43.803 1.00 0.00 ATOM 993 O ILE A 126 -11.665 62.263 44.219 1.00 0.00 ATOM 994 C ILE A 126 -12.107 62.712 45.278 1.00 0.00 ATOM 995 N ASP A 127 -12.441 61.955 46.268 1.00 0.00 ATOM 996 CA ASP A 127 -12.396 60.508 46.167 1.00 0.00 ATOM 997 CB ASP A 127 -11.749 59.936 47.437 1.00 0.00 ATOM 998 CG ASP A 127 -11.496 58.458 47.375 1.00 0.00 ATOM 999 OD1 ASP A 127 -12.284 57.739 46.716 1.00 0.00 ATOM 1000 OD2 ASP A 127 -10.513 58.030 48.010 1.00 0.00 ATOM 1001 O ASP A 127 -14.634 59.935 46.822 1.00 0.00 ATOM 1002 C ASP A 127 -13.792 59.949 45.925 1.00 0.00 ATOM 1003 N SER A 128 -14.012 59.501 44.691 1.00 0.00 ATOM 1004 CA SER A 128 -15.328 58.942 44.318 1.00 0.00 ATOM 1005 CB SER A 128 -15.339 58.537 42.842 1.00 0.00 ATOM 1006 OG SER A 128 -15.160 59.664 42.003 1.00 0.00 ATOM 1007 O SER A 128 -14.956 56.741 45.155 1.00 0.00 ATOM 1008 C SER A 128 -15.729 57.699 45.109 1.00 0.00 ATOM 1009 N HIS A 129 -16.979 57.696 45.716 1.00 0.00 ATOM 1010 CA HIS A 129 -17.528 56.461 46.264 1.00 0.00 ATOM 1011 CB HIS A 129 -17.123 56.219 47.775 1.00 0.00 ATOM 1012 CG HIS A 129 -15.718 55.695 47.877 1.00 0.00 ATOM 1013 CD2 HIS A 129 -14.535 56.347 47.983 1.00 0.00 ATOM 1014 ND1 HIS A 129 -15.476 54.342 47.807 1.00 0.00 ATOM 1015 CE1 HIS A 129 -14.200 54.085 47.850 1.00 0.00 ATOM 1016 NE2 HIS A 129 -13.645 55.282 47.998 1.00 0.00 ATOM 1017 O HIS A 129 -19.769 57.239 45.916 1.00 0.00 ATOM 1018 C HIS A 129 -19.023 56.272 46.053 1.00 0.00 ATOM 1019 N HIS A 130 -19.450 55.008 46.050 1.00 0.00 ATOM 1020 CA HIS A 130 -20.845 54.661 45.882 1.00 0.00 ATOM 1021 CB HIS A 130 -21.033 53.145 45.955 1.00 0.00 ATOM 1022 CG HIS A 130 -22.384 52.682 45.509 1.00 0.00 ATOM 1023 CD2 HIS A 130 -22.926 52.070 44.304 1.00 0.00 ATOM 1024 ND1 HIS A 130 -23.505 52.781 46.304 1.00 0.00 ATOM 1025 CE1 HIS A 130 -24.562 52.285 45.634 1.00 0.00 ATOM 1026 NE2 HIS A 130 -24.222 51.858 44.433 1.00 0.00 ATOM 1027 O HIS A 130 -21.387 55.239 48.146 1.00 0.00 ATOM 1028 C HIS A 130 -21.717 55.294 46.965 1.00 0.00 ATOM 1029 N ASN A 131 -22.797 55.936 46.550 1.00 0.00 ATOM 1030 CA ASN A 131 -23.728 56.634 47.432 1.00 0.00 ATOM 1031 CB ASN A 131 -24.378 55.654 48.410 1.00 0.00 ATOM 1032 CG ASN A 131 -25.331 54.693 47.724 1.00 0.00 ATOM 1033 ND2 ASN A 131 -25.481 53.504 48.293 1.00 0.00 ATOM 1034 OD1 ASN A 131 -25.921 55.018 46.694 1.00 0.00 ATOM 1035 O ASN A 131 -23.609 58.161 49.258 1.00 0.00 ATOM 1036 C ASN A 131 -23.056 57.721 48.254 1.00 0.00 ATOM 1037 N VAL A 132 -21.871 58.197 47.909 1.00 0.00 ATOM 1038 CA VAL A 132 -21.177 59.252 48.643 1.00 0.00 ATOM 1039 CB VAL A 132 -19.903 58.718 49.322 1.00 0.00 ATOM 1040 CG1 VAL A 132 -19.202 59.829 50.088 1.00 0.00 ATOM 1041 CG2 VAL A 132 -20.247 57.603 50.297 1.00 0.00 ATOM 1042 O VAL A 132 -21.202 61.519 47.868 1.00 0.00 ATOM 1043 C VAL A 132 -20.798 60.365 47.655 1.00 0.00 ATOM 1044 N HIS A 133 -20.515 59.871 46.332 1.00 0.00 ATOM 1045 CA HIS A 133 -20.139 60.914 45.390 1.00 0.00 ATOM 1046 CB HIS A 133 -18.423 60.524 45.260 1.00 0.00 ATOM 1047 CG HIS A 133 -17.416 61.537 44.856 1.00 0.00 ATOM 1048 CD2 HIS A 133 -16.796 61.741 43.653 1.00 0.00 ATOM 1049 ND1 HIS A 133 -16.881 62.473 45.703 1.00 0.00 ATOM 1050 CE1 HIS A 133 -16.013 63.236 45.059 1.00 0.00 ATOM 1051 NE2 HIS A 133 -15.944 62.810 43.814 1.00 0.00 ATOM 1052 O HIS A 133 -20.633 61.784 43.251 1.00 0.00 ATOM 1053 C HIS A 133 -20.936 60.969 44.113 1.00 0.00 ATOM 1054 N GLY A 134 -21.943 60.125 43.947 1.00 0.00 ATOM 1055 CA GLY A 134 -22.779 60.140 42.767 1.00 0.00 ATOM 1056 O GLY A 134 -23.051 58.921 40.772 1.00 0.00 ATOM 1057 C GLY A 134 -22.303 59.145 41.730 1.00 0.00 ATOM 1058 N LYS A 135 -21.136 58.546 41.945 1.00 0.00 ATOM 1059 CA LYS A 135 -20.604 57.613 40.945 1.00 0.00 ATOM 1060 CB LYS A 135 -19.135 57.925 40.650 1.00 0.00 ATOM 1061 CG LYS A 135 -18.884 59.350 40.186 1.00 0.00 ATOM 1062 CD LYS A 135 -19.482 59.599 38.813 1.00 0.00 ATOM 1063 CE LYS A 135 -19.181 61.006 38.325 1.00 0.00 ATOM 1064 NZ LYS A 135 -20.022 62.024 39.012 1.00 0.00 ATOM 1065 O LYS A 135 -20.361 55.827 42.551 1.00 0.00 ATOM 1066 C LYS A 135 -20.680 56.167 41.407 1.00 0.00 ATOM 1067 N ASN A 136 -21.117 55.274 40.524 1.00 0.00 ATOM 1068 CA ASN A 136 -21.175 53.857 40.878 1.00 0.00 ATOM 1069 CB ASN A 136 -22.204 53.129 40.009 1.00 0.00 ATOM 1070 CG ASN A 136 -22.413 51.690 40.437 1.00 0.00 ATOM 1071 ND2 ASN A 136 -23.573 51.137 40.102 1.00 0.00 ATOM 1072 OD1 ASN A 136 -21.540 51.084 41.060 1.00 0.00 ATOM 1073 O ASN A 136 -19.494 52.745 39.569 1.00 0.00 ATOM 1074 C ASN A 136 -19.818 53.187 40.672 1.00 0.00 ATOM 1075 N LYS A 137 -19.052 53.078 41.755 1.00 0.00 ATOM 1076 CA LYS A 137 -17.679 52.568 41.681 1.00 0.00 ATOM 1077 CB LYS A 137 -17.876 50.907 42.027 1.00 0.00 ATOM 1078 CG LYS A 137 -17.915 50.228 40.682 1.00 0.00 ATOM 1079 CD LYS A 137 -18.050 48.726 40.839 1.00 0.00 ATOM 1080 CE LYS A 137 -18.111 48.050 39.479 1.00 0.00 ATOM 1081 NZ LYS A 137 -18.301 46.583 39.628 1.00 0.00 ATOM 1082 O LYS A 137 -16.128 52.772 39.857 1.00 0.00 ATOM 1083 C LYS A 137 -16.833 53.347 40.688 1.00 0.00 ATOM 1084 N LYS A 138 -16.961 54.699 40.148 1.00 0.00 ATOM 1085 CA LYS A 138 -16.189 55.429 39.155 1.00 0.00 ATOM 1086 CB LYS A 138 -16.813 55.268 37.767 1.00 0.00 ATOM 1087 CG LYS A 138 -18.190 55.896 37.628 1.00 0.00 ATOM 1088 CD LYS A 138 -18.738 55.719 36.220 1.00 0.00 ATOM 1089 CE LYS A 138 -20.148 56.273 36.105 1.00 0.00 ATOM 1090 NZ LYS A 138 -20.729 56.034 34.755 1.00 0.00 ATOM 1091 O LYS A 138 -16.913 57.388 40.353 1.00 0.00 ATOM 1092 C LYS A 138 -16.159 56.905 39.506 1.00 0.00 ATOM 1093 N LEU A 139 -15.223 57.603 38.880 1.00 0.00 ATOM 1094 CA LEU A 139 -15.153 59.045 38.948 1.00 0.00 ATOM 1095 CB LEU A 139 -13.829 59.546 38.367 1.00 0.00 ATOM 1096 CG LEU A 139 -12.555 59.036 39.045 1.00 0.00 ATOM 1097 CD1 LEU A 139 -11.320 59.526 38.305 1.00 0.00 ATOM 1098 CD2 LEU A 139 -12.477 59.532 40.482 1.00 0.00 ATOM 1099 O LEU A 139 -16.676 59.077 37.069 1.00 0.00 ATOM 1100 C LEU A 139 -16.335 59.603 38.127 1.00 0.00 ATOM 1101 N LEU A 140 -18.132 60.257 36.477 1.00 0.00 ATOM 1102 CA LEU A 140 -18.443 60.461 35.051 1.00 0.00 ATOM 1103 CB LEU A 140 -19.903 60.883 34.877 1.00 0.00 ATOM 1104 CG LEU A 140 -20.960 59.852 35.273 1.00 0.00 ATOM 1105 CD1 LEU A 140 -22.356 60.449 35.182 1.00 0.00 ATOM 1106 CD2 LEU A 140 -20.900 58.640 34.355 1.00 0.00 ATOM 1107 O LEU A 140 -17.029 62.424 35.071 1.00 0.00 ATOM 1108 C LEU A 140 -17.582 61.546 34.396 1.00 0.00 ATOM 1109 N GLY A 141 -17.499 61.493 33.071 1.00 0.00 ATOM 1110 CA GLY A 141 -16.711 62.462 32.340 1.00 0.00 ATOM 1111 O GLY A 141 -16.546 64.807 32.754 1.00 0.00 ATOM 1112 C GLY A 141 -17.289 63.848 32.561 1.00 0.00 ATOM 1113 N VAL A 142 -18.635 63.964 32.549 1.00 0.00 ATOM 1114 CA VAL A 142 -19.318 65.244 32.760 1.00 0.00 ATOM 1115 CB VAL A 142 -20.841 65.156 32.553 1.00 0.00 ATOM 1116 CG1 VAL A 142 -21.510 66.462 32.953 1.00 0.00 ATOM 1117 CG2 VAL A 142 -21.165 64.878 31.093 1.00 0.00 ATOM 1118 O VAL A 142 -18.838 66.953 34.368 1.00 0.00 ATOM 1119 C VAL A 142 -19.075 65.773 34.168 1.00 0.00 ATOM 1120 N ALA A 143 -19.120 64.890 35.164 1.00 0.00 ATOM 1121 CA ALA A 143 -18.871 65.329 36.534 1.00 0.00 ATOM 1122 CB ALA A 143 -19.088 64.179 37.506 1.00 0.00 ATOM 1123 O ALA A 143 -17.126 66.908 37.155 1.00 0.00 ATOM 1124 C ALA A 143 -17.416 65.817 36.636 1.00 0.00 ATOM 1125 N LEU A 144 -16.476 65.019 36.107 1.00 0.00 ATOM 1126 CA LEU A 144 -15.063 65.411 36.207 1.00 0.00 ATOM 1127 CB LEU A 144 -14.168 64.366 35.538 1.00 0.00 ATOM 1128 CG LEU A 144 -12.663 64.634 35.579 1.00 0.00 ATOM 1129 CD1 LEU A 144 -12.166 64.690 37.016 1.00 0.00 ATOM 1130 CD2 LEU A 144 -11.901 63.536 34.854 1.00 0.00 ATOM 1131 O LEU A 144 -14.050 67.580 36.033 1.00 0.00 ATOM 1132 C LEU A 144 -14.749 66.717 35.494 1.00 0.00 ATOM 1133 N ALA A 145 -15.417 66.904 34.226 1.00 0.00 ATOM 1134 CA ALA A 145 -15.172 68.118 33.455 1.00 0.00 ATOM 1135 CB ALA A 145 -15.731 67.971 32.049 1.00 0.00 ATOM 1136 O ALA A 145 -15.496 70.463 33.657 1.00 0.00 ATOM 1137 C ALA A 145 -15.803 69.360 34.066 1.00 0.00 ATOM 1138 N LEU A 146 -16.694 69.171 35.049 1.00 0.00 ATOM 1139 CA LEU A 146 -17.349 70.299 35.695 1.00 0.00 ATOM 1140 CB LEU A 146 -18.360 69.807 36.734 1.00 0.00 ATOM 1141 CG LEU A 146 -19.116 70.888 37.508 1.00 0.00 ATOM 1142 CD1 LEU A 146 -19.948 71.744 36.565 1.00 0.00 ATOM 1143 CD2 LEU A 146 -20.051 70.263 38.532 1.00 0.00 ATOM 1144 O LEU A 146 -16.313 72.404 36.246 1.00 0.00 ATOM 1145 C LEU A 146 -16.323 71.179 36.411 1.00 0.00 ATOM 1146 N ALA A 147 -15.450 70.559 37.204 1.00 0.00 ATOM 1147 CA ALA A 147 -14.426 71.291 37.943 1.00 0.00 ATOM 1148 CB ALA A 147 -13.733 70.300 38.934 1.00 0.00 ATOM 1149 O ALA A 147 -12.956 72.998 37.224 1.00 0.00 ATOM 1150 C ALA A 147 -13.424 71.895 36.991 1.00 0.00 ATOM 1151 N ARG A 148 -13.082 71.180 35.904 1.00 0.00 ATOM 1152 CA ARG A 148 -12.125 71.720 34.931 1.00 0.00 ATOM 1153 CB ARG A 148 -11.808 70.740 33.836 1.00 0.00 ATOM 1154 CG ARG A 148 -11.060 69.489 34.306 1.00 0.00 ATOM 1155 CD ARG A 148 -10.261 68.858 33.178 1.00 0.00 ATOM 1156 NE ARG A 148 -11.091 68.591 31.998 1.00 0.00 ATOM 1157 CZ ARG A 148 -11.907 67.545 31.863 1.00 0.00 ATOM 1158 NH1 ARG A 148 -12.038 66.652 32.841 1.00 0.00 ATOM 1159 NH2 ARG A 148 -12.617 67.396 30.756 1.00 0.00 ATOM 1160 O ARG A 148 -12.042 73.919 33.966 1.00 0.00 ATOM 1161 C ARG A 148 -12.727 72.926 34.205 1.00 0.00 ATOM 1162 N LYS A 149 -14.052 72.866 33.837 1.00 0.00 ATOM 1163 CA LYS A 149 -14.748 73.960 33.174 1.00 0.00 ATOM 1164 CB LYS A 149 -15.894 73.421 32.314 1.00 0.00 ATOM 1165 CG LYS A 149 -15.440 72.569 31.141 1.00 0.00 ATOM 1166 CD LYS A 149 -16.628 72.035 30.356 1.00 0.00 ATOM 1167 CE LYS A 149 -16.175 71.191 29.176 1.00 0.00 ATOM 1168 NZ LYS A 149 -17.327 70.684 28.380 1.00 0.00 ATOM 1169 O LYS A 149 -15.723 76.063 33.701 1.00 0.00 ATOM 1170 C LYS A 149 -15.364 74.977 34.120 1.00 0.00 ATOM 1171 N TYR A 150 -15.440 74.649 35.409 1.00 0.00 ATOM 1172 CA TYR A 150 -16.115 75.532 36.356 1.00 0.00 ATOM 1173 CB TYR A 150 -17.403 74.885 36.867 1.00 0.00 ATOM 1174 CG TYR A 150 -18.436 74.643 35.790 1.00 0.00 ATOM 1175 CD1 TYR A 150 -18.456 73.450 35.079 1.00 0.00 ATOM 1176 CD2 TYR A 150 -19.390 75.607 35.490 1.00 0.00 ATOM 1177 CE1 TYR A 150 -19.396 73.220 34.092 1.00 0.00 ATOM 1178 CE2 TYR A 150 -20.338 75.395 34.506 1.00 0.00 ATOM 1179 CZ TYR A 150 -20.334 74.189 33.807 1.00 0.00 ATOM 1180 OH TYR A 150 -21.272 73.963 32.826 1.00 0.00 ATOM 1181 O TYR A 150 -14.576 75.030 38.106 1.00 0.00 ATOM 1182 C TYR A 150 -15.300 75.883 37.586 1.00 0.00 ATOM 1183 N GLN A 151 -15.440 77.125 38.044 1.00 0.00 ATOM 1184 CA GLN A 151 -14.727 77.590 39.231 1.00 0.00 ATOM 1185 CB GLN A 151 -14.538 79.107 39.183 1.00 0.00 ATOM 1186 CG GLN A 151 -13.672 79.588 38.029 1.00 0.00 ATOM 1187 CD GLN A 151 -13.449 81.086 38.053 1.00 0.00 ATOM 1188 OE1 GLN A 151 -14.091 81.808 38.817 1.00 0.00 ATOM 1189 NE2 GLN A 151 -12.535 81.562 37.214 1.00 0.00 ATOM 1190 O GLN A 151 -16.050 78.090 41.182 1.00 0.00 ATOM 1191 C GLN A 151 -15.525 77.233 40.478 1.00 0.00 ATOM 1192 N LEU A 152 -15.574 75.932 40.740 1.00 0.00 ATOM 1193 CA LEU A 152 -16.293 75.388 41.885 1.00 0.00 ATOM 1194 CB LEU A 152 -17.658 74.844 41.457 1.00 0.00 ATOM 1195 CG LEU A 152 -18.638 75.789 40.767 1.00 0.00 ATOM 1196 CD1 LEU A 152 -19.881 75.010 40.337 1.00 0.00 ATOM 1197 CD2 LEU A 152 -19.005 76.927 41.710 1.00 0.00 ATOM 1198 O LEU A 152 -14.631 73.653 41.783 1.00 0.00 ATOM 1199 C LEU A 152 -15.486 74.232 42.464 1.00 0.00 ATOM 1200 N PRO A 153 -13.280 72.045 39.805 1.00 0.00 ATOM 1201 CA PRO A 153 -11.839 72.283 39.784 1.00 0.00 ATOM 1202 CB PRO A 153 -11.704 73.766 40.132 1.00 0.00 ATOM 1203 CG PRO A 153 -12.852 74.041 41.045 1.00 0.00 ATOM 1204 CD PRO A 153 -14.012 73.253 40.505 1.00 0.00 ATOM 1205 O PRO A 153 -10.678 71.850 41.863 1.00 0.00 ATOM 1206 C PRO A 153 -11.175 71.365 40.832 1.00 0.00 ATOM 1207 N LEU A 154 -11.222 70.059 40.578 1.00 0.00 ATOM 1208 CA LEU A 154 -10.750 69.028 41.536 1.00 0.00 ATOM 1209 CB LEU A 154 -11.920 68.492 42.365 1.00 0.00 ATOM 1210 CG LEU A 154 -12.619 69.499 43.282 1.00 0.00 ATOM 1211 CD1 LEU A 154 -13.901 68.910 43.849 1.00 0.00 ATOM 1212 CD2 LEU A 154 -11.718 69.884 44.444 1.00 0.00 ATOM 1213 O LEU A 154 -10.767 67.469 39.729 1.00 0.00 ATOM 1214 C LEU A 154 -10.217 67.805 40.773 1.00 0.00 ATOM 1215 N ARG A 155 -9.251 67.179 41.374 1.00 0.00 ATOM 1216 CA ARG A 155 -8.715 65.929 40.833 1.00 0.00 ATOM 1217 CB ARG A 155 -7.203 65.823 41.039 1.00 0.00 ATOM 1218 CG ARG A 155 -6.401 66.880 40.298 1.00 0.00 ATOM 1219 CD ARG A 155 -4.909 66.692 40.511 1.00 0.00 ATOM 1220 NE ARG A 155 -4.128 67.778 39.923 1.00 0.00 ATOM 1221 CZ ARG A 155 -2.802 67.848 39.955 1.00 0.00 ATOM 1222 NH1 ARG A 155 -2.178 68.875 39.394 1.00 0.00 ATOM 1223 NH2 ARG A 155 -2.101 66.891 40.549 1.00 0.00 ATOM 1224 O ARG A 155 -9.587 64.778 42.736 1.00 0.00 ATOM 1225 C ARG A 155 -9.400 64.752 41.511 1.00 0.00 ATOM 1226 N ASN A 156 -9.766 63.745 40.721 1.00 0.00 ATOM 1227 CA ASN A 156 -10.590 62.634 41.211 1.00 0.00 ATOM 1228 CB ASN A 156 -11.667 62.273 40.188 1.00 0.00 ATOM 1229 CG ASN A 156 -12.648 63.404 39.950 1.00 0.00 ATOM 1230 ND2 ASN A 156 -12.664 63.925 38.730 1.00 0.00 ATOM 1231 OD1 ASN A 156 -13.383 63.801 40.855 1.00 0.00 ATOM 1232 O ASN A 156 -9.113 60.889 40.496 1.00 0.00 ATOM 1233 C ASN A 156 -9.680 61.439 41.440 1.00 0.00 ATOM 1234 N ALA A 157 -9.568 61.036 42.705 1.00 0.00 ATOM 1235 CA ALA A 157 -8.598 60.023 43.118 1.00 0.00 ATOM 1236 CB ALA A 157 -7.845 60.484 44.356 1.00 0.00 ATOM 1237 O ALA A 157 -9.995 58.581 44.457 1.00 0.00 ATOM 1238 C ALA A 157 -9.265 58.710 43.444 1.00 0.00 ATOM 1239 N SER A 158 -9.034 57.732 42.566 1.00 0.00 ATOM 1240 CA SER A 158 -9.527 56.399 42.774 1.00 0.00 ATOM 1241 CB SER A 158 -9.866 55.738 41.436 1.00 0.00 ATOM 1242 OG SER A 158 -8.701 55.552 40.650 1.00 0.00 ATOM 1243 O SER A 158 -7.180 56.145 43.009 1.00 0.00 ATOM 1244 C SER A 158 -8.287 55.630 43.118 1.00 0.00 ATOM 1245 N ARG A 159 -8.414 54.247 43.402 1.00 0.00 ATOM 1246 CA ARG A 159 -7.238 53.483 43.788 1.00 0.00 ATOM 1247 CB ARG A 159 -7.789 52.975 45.123 1.00 0.00 ATOM 1248 CG ARG A 159 -8.998 52.064 44.988 1.00 0.00 ATOM 1249 CD ARG A 159 -9.563 51.695 46.350 1.00 0.00 ATOM 1250 NE ARG A 159 -10.669 50.745 46.243 1.00 0.00 ATOM 1251 CZ ARG A 159 -11.938 51.095 46.052 1.00 0.00 ATOM 1252 NH1 ARG A 159 -12.876 50.161 45.967 1.00 0.00 ATOM 1253 NH2 ARG A 159 -12.264 52.375 45.944 1.00 0.00 ATOM 1254 O ARG A 159 -7.717 52.107 41.923 1.00 0.00 ATOM 1255 C ARG A 159 -6.952 52.312 42.858 1.00 0.00 ATOM 1256 N SER A 160 -5.878 51.559 43.111 1.00 0.00 ATOM 1257 CA SER A 160 -5.619 50.340 42.360 1.00 0.00 ATOM 1258 CB SER A 160 -4.300 50.454 41.592 1.00 0.00 ATOM 1259 OG SER A 160 -3.206 50.612 42.478 1.00 0.00 ATOM 1260 O SER A 160 -5.551 48.012 42.805 1.00 0.00 ATOM 1261 C SER A 160 -5.515 49.132 43.282 1.00 0.00 ATOM 1262 N ILE A 161 -5.351 49.315 44.538 1.00 0.00 ATOM 1263 CA ILE A 161 -5.366 48.221 45.540 1.00 0.00 ATOM 1264 CB ILE A 161 -5.135 48.717 46.981 1.00 0.00 ATOM 1265 CG1 ILE A 161 -4.625 47.574 47.861 1.00 0.00 ATOM 1266 CG2 ILE A 161 -6.430 49.244 47.577 1.00 0.00 ATOM 1267 CD1 ILE A 161 -3.261 47.057 47.461 1.00 0.00 ATOM 1268 O ILE A 161 -6.670 46.286 46.033 1.00 0.00 ATOM 1269 C ILE A 161 -6.652 47.414 45.540 1.00 0.00 ATOM 1270 N GLU A 162 -7.707 48.024 44.980 1.00 0.00 ATOM 1271 CA GLU A 162 -9.022 47.394 44.925 1.00 0.00 ATOM 1272 CB GLU A 162 -10.069 48.383 44.408 1.00 0.00 ATOM 1273 CG GLU A 162 -11.486 47.830 44.377 1.00 0.00 ATOM 1274 CD GLU A 162 -12.499 48.848 43.892 1.00 0.00 ATOM 1275 OE1 GLU A 162 -12.092 49.986 43.578 1.00 0.00 ATOM 1276 OE2 GLU A 162 -13.698 48.506 43.826 1.00 0.00 ATOM 1277 O GLU A 162 -9.448 45.100 44.343 1.00 0.00 ATOM 1278 C GLU A 162 -8.992 46.187 43.991 1.00 0.00 ATOM 1279 N THR A 163 -8.459 46.400 42.795 1.00 0.00 ATOM 1280 CA THR A 163 -8.388 45.336 41.800 1.00 0.00 ATOM 1281 CB THR A 163 -7.700 45.815 40.509 1.00 0.00 ATOM 1282 CG2 THR A 163 -7.602 44.677 39.504 1.00 0.00 ATOM 1283 OG1 THR A 163 -8.459 46.882 39.927 1.00 0.00 ATOM 1284 O THR A 163 -8.051 43.000 42.196 1.00 0.00 ATOM 1285 C THR A 163 -7.602 44.140 42.316 1.00 0.00 ATOM 1286 N LYS A 164 -6.558 44.508 42.925 1.00 0.00 ATOM 1287 CA LYS A 164 -5.692 43.438 43.406 1.00 0.00 ATOM 1288 CB LYS A 164 -4.387 44.013 43.962 1.00 0.00 ATOM 1289 CG LYS A 164 -3.471 44.606 42.905 1.00 0.00 ATOM 1290 CD LYS A 164 -2.913 43.528 41.991 1.00 0.00 ATOM 1291 CE LYS A 164 -1.903 44.104 41.010 1.00 0.00 ATOM 1292 NZ LYS A 164 -1.390 43.071 40.070 1.00 0.00 ATOM 1293 O LYS A 164 -5.893 41.500 44.832 1.00 0.00 ATOM 1294 C LYS A 164 -6.349 42.618 44.523 1.00 0.00 ATOM 1295 N ASP A 165 -7.380 43.173 45.165 1.00 0.00 ATOM 1296 CA ASP A 165 -8.058 42.505 46.278 1.00 0.00 ATOM 1297 CB ASP A 165 -8.528 43.532 47.312 1.00 0.00 ATOM 1298 CG ASP A 165 -7.378 44.154 48.079 1.00 0.00 ATOM 1299 OD1 ASP A 165 -6.267 43.584 48.049 1.00 0.00 ATOM 1300 OD2 ASP A 165 -7.588 45.210 48.710 1.00 0.00 ATOM 1301 O ASP A 165 -9.919 41.098 46.694 1.00 0.00 ATOM 1302 C ASP A 165 -9.284 41.714 45.860 1.00 0.00 ATOM 1303 N TYR A 166 -9.598 41.689 44.567 1.00 0.00 ATOM 1304 CA TYR A 166 -10.714 40.892 44.071 1.00 0.00 ATOM 1305 CB TYR A 166 -10.978 41.200 42.596 1.00 0.00 ATOM 1306 CG TYR A 166 -12.161 40.455 42.018 1.00 0.00 ATOM 1307 CD1 TYR A 166 -13.461 40.855 42.299 1.00 0.00 ATOM 1308 CD2 TYR A 166 -11.972 39.355 41.192 1.00 0.00 ATOM 1309 CE1 TYR A 166 -14.546 40.180 41.775 1.00 0.00 ATOM 1310 CE2 TYR A 166 -13.047 38.667 40.659 1.00 0.00 ATOM 1311 CZ TYR A 166 -14.340 39.092 40.958 1.00 0.00 ATOM 1312 OH TYR A 166 -15.421 38.418 40.433 1.00 0.00 ATOM 1313 O TYR A 166 -9.438 38.899 43.640 1.00 0.00 ATOM 1314 C TYR A 166 -10.438 39.396 44.193 1.00 0.00 ATOM 1315 N LEU A 167 -11.309 38.683 44.915 1.00 0.00 ATOM 1316 CA LEU A 167 -11.151 37.263 45.193 1.00 0.00 ATOM 1317 CB LEU A 167 -10.948 37.028 46.691 1.00 0.00 ATOM 1318 CG LEU A 167 -9.704 37.666 47.313 1.00 0.00 ATOM 1319 CD1 LEU A 167 -9.718 37.506 48.826 1.00 0.00 ATOM 1320 CD2 LEU A 167 -8.440 37.014 46.778 1.00 0.00 ATOM 1321 O LEU A 167 -13.525 37.008 44.879 1.00 0.00 ATOM 1322 C LEU A 167 -12.406 36.504 44.738 1.00 0.00 ATOM 1323 N GLU A 168 -12.181 35.237 44.289 1.00 0.00 ATOM 1324 CA GLU A 168 -13.283 34.320 44.047 1.00 0.00 ATOM 1325 CB GLU A 168 -12.794 33.078 43.301 1.00 0.00 ATOM 1326 CG GLU A 168 -12.391 33.337 41.858 1.00 0.00 ATOM 1327 CD GLU A 168 -11.797 32.115 41.189 1.00 0.00 ATOM 1328 OE1 GLU A 168 -11.634 31.083 41.876 1.00 0.00 ATOM 1329 OE2 GLU A 168 -11.496 32.186 39.980 1.00 0.00 ATOM 1330 O GLU A 168 -15.145 33.701 45.432 1.00 0.00 ATOM 1331 C GLU A 168 -13.928 33.860 45.345 1.00 0.00 ATOM 1332 N LEU A 169 -13.079 33.503 46.312 1.00 0.00 ATOM 1333 CA LEU A 169 -13.587 32.971 47.569 1.00 0.00 ATOM 1334 CB LEU A 169 -12.432 32.531 48.471 1.00 0.00 ATOM 1335 CG LEU A 169 -11.648 31.298 48.017 1.00 0.00 ATOM 1336 CD1 LEU A 169 -10.427 31.082 48.898 1.00 0.00 ATOM 1337 CD2 LEU A 169 -12.516 30.052 48.094 1.00 0.00 ATOM 1338 O LEU A 169 -15.478 33.764 48.844 1.00 0.00 ATOM 1339 C LEU A 169 -14.401 34.018 48.318 1.00 0.00 ATOM 1340 N TYR A 170 -13.746 35.129 48.299 1.00 0.00 ATOM 1341 CA TYR A 170 -14.469 36.248 48.948 1.00 0.00 ATOM 1342 CB TYR A 170 -13.602 37.543 48.813 1.00 0.00 ATOM 1343 CG TYR A 170 -14.317 38.821 49.196 1.00 0.00 ATOM 1344 CD1 TYR A 170 -14.804 39.026 50.479 1.00 0.00 ATOM 1345 CD2 TYR A 170 -14.504 39.838 48.246 1.00 0.00 ATOM 1346 CE1 TYR A 170 -15.478 40.234 50.808 1.00 0.00 ATOM 1347 CE2 TYR A 170 -15.158 41.025 48.564 1.00 0.00 ATOM 1348 CZ TYR A 170 -15.641 41.205 49.851 1.00 0.00 ATOM 1349 OH TYR A 170 -16.272 42.373 50.171 1.00 0.00 ATOM 1350 O TYR A 170 -16.861 36.555 49.005 1.00 0.00 ATOM 1351 C TYR A 170 -15.846 36.415 48.311 1.00 0.00 ATOM 1352 N GLN A 171 -15.879 36.384 46.982 1.00 0.00 ATOM 1353 CA GLN A 171 -17.139 36.518 46.236 1.00 0.00 ATOM 1354 CB GLN A 171 -16.875 36.489 44.728 1.00 0.00 ATOM 1355 CG GLN A 171 -18.123 36.661 43.877 1.00 0.00 ATOM 1356 CD GLN A 171 -17.821 36.647 42.391 1.00 0.00 ATOM 1357 OE1 GLN A 171 -16.681 36.422 41.982 1.00 0.00 ATOM 1358 NE2 GLN A 171 -18.842 36.887 41.579 1.00 0.00 ATOM 1359 O GLN A 171 -19.291 35.546 46.756 1.00 0.00 ATOM 1360 C GLN A 171 -18.090 35.335 46.502 1.00 0.00 ATOM 1361 N ASP A 172 -17.608 34.100 46.517 1.00 0.00 ATOM 1362 CA ASP A 172 -18.413 32.918 46.716 1.00 0.00 ATOM 1363 CB ASP A 172 -17.579 31.660 46.460 1.00 0.00 ATOM 1364 CG ASP A 172 -17.264 31.460 44.991 1.00 0.00 ATOM 1365 OD1 ASP A 172 -17.886 32.144 44.151 1.00 0.00 ATOM 1366 OD2 ASP A 172 -16.396 30.617 44.679 1.00 0.00 ATOM 1367 O ASP A 172 -20.234 32.649 48.255 1.00 0.00 ATOM 1368 C ASP A 172 -19.042 32.918 48.108 1.00 0.00 ATOM 1369 N VAL A 173 -18.241 33.223 49.124 1.00 0.00 ATOM 1370 CA VAL A 173 -18.741 33.275 50.493 1.00 0.00 ATOM 1371 CB VAL A 173 -17.655 33.293 51.538 1.00 0.00 ATOM 1372 CG1 VAL A 173 -16.834 32.008 51.462 1.00 0.00 ATOM 1373 CG2 VAL A 173 -16.743 34.512 51.415 1.00 0.00 ATOM 1374 O VAL A 173 -20.534 34.441 51.636 1.00 0.00 ATOM 1375 C VAL A 173 -19.695 34.442 50.732 1.00 0.00 ATOM 1376 N ARG A 174 -19.521 35.471 49.917 1.00 0.00 ATOM 1377 CA ARG A 174 -20.338 36.688 49.968 1.00 0.00 ATOM 1378 CB ARG A 174 -19.440 37.868 50.274 1.00 0.00 ATOM 1379 CG ARG A 174 -18.855 37.815 51.713 1.00 0.00 ATOM 1380 CD ARG A 174 -18.069 39.073 52.025 1.00 0.00 ATOM 1381 NE ARG A 174 -17.687 39.255 53.423 1.00 0.00 ATOM 1382 CZ ARG A 174 -16.771 38.533 54.057 1.00 0.00 ATOM 1383 NH1 ARG A 174 -16.149 37.547 53.423 1.00 0.00 ATOM 1384 NH2 ARG A 174 -16.435 38.847 55.304 1.00 0.00 ATOM 1385 O ARG A 174 -20.107 36.722 47.595 1.00 0.00 ATOM 1386 C ARG A 174 -20.877 36.905 48.551 1.00 0.00 ATOM 1387 N THR A 175 -22.157 37.218 48.399 1.00 0.00 ATOM 1388 CA THR A 175 -22.652 37.402 47.017 1.00 0.00 ATOM 1389 CB THR A 175 -24.121 37.132 46.833 1.00 0.00 ATOM 1390 CG2 THR A 175 -24.505 35.777 47.403 1.00 0.00 ATOM 1391 OG1 THR A 175 -24.869 38.165 47.492 1.00 0.00 ATOM 1392 O THR A 175 -22.112 39.713 47.309 1.00 0.00 ATOM 1393 C THR A 175 -22.262 38.796 46.520 1.00 0.00 ATOM 1394 N PRO A 176 -22.116 38.949 45.205 1.00 0.00 ATOM 1395 CA PRO A 176 -21.728 40.253 44.657 1.00 0.00 ATOM 1396 CB PRO A 176 -21.711 40.091 43.160 1.00 0.00 ATOM 1397 CG PRO A 176 -21.432 38.643 42.981 1.00 0.00 ATOM 1398 CD PRO A 176 -22.288 37.995 44.058 1.00 0.00 ATOM 1399 O PRO A 176 -22.111 42.496 45.441 1.00 0.00 ATOM 1400 C PRO A 176 -22.589 41.414 45.075 1.00 0.00 ATOM 1401 N ASP A 177 -23.919 41.258 44.999 1.00 0.00 ATOM 1402 CA ASP A 177 -24.828 42.339 45.344 1.00 0.00 ATOM 1403 CB ASP A 177 -26.279 41.801 45.125 1.00 0.00 ATOM 1404 CG ASP A 177 -26.716 41.738 43.666 1.00 0.00 ATOM 1405 OD1 ASP A 177 -26.017 42.331 42.830 1.00 0.00 ATOM 1406 OD2 ASP A 177 -27.758 41.107 43.380 1.00 0.00 ATOM 1407 O ASP A 177 -24.955 44.012 47.026 1.00 0.00 ATOM 1408 C ASP A 177 -24.691 42.827 46.763 1.00 0.00 ATOM 1409 N GLU A 178 -24.275 41.987 47.707 1.00 0.00 ATOM 1410 CA GLU A 178 -24.143 42.480 49.090 1.00 0.00 ATOM 1411 CB GLU A 178 -23.905 41.090 49.903 1.00 0.00 ATOM 1412 CG GLU A 178 -25.117 40.164 49.879 1.00 0.00 ATOM 1413 CD GLU A 178 -24.908 38.888 50.673 1.00 0.00 ATOM 1414 OE1 GLU A 178 -23.784 38.336 50.641 1.00 0.00 ATOM 1415 OE2 GLU A 178 -25.875 38.426 51.315 1.00 0.00 ATOM 1416 O GLU A 178 -23.112 44.443 50.010 1.00 0.00 ATOM 1417 C GLU A 178 -23.052 43.539 49.173 1.00 0.00 ATOM 1418 N MET A 179 -22.033 43.450 48.315 1.00 0.00 ATOM 1419 CA MET A 179 -20.945 44.420 48.315 1.00 0.00 ATOM 1420 CB MET A 179 -19.599 43.566 47.978 1.00 0.00 ATOM 1421 CG MET A 179 -18.324 44.430 47.656 1.00 0.00 ATOM 1422 SD MET A 179 -16.830 43.480 47.250 1.00 0.00 ATOM 1423 CE MET A 179 -17.210 42.947 45.595 1.00 0.00 ATOM 1424 O MET A 179 -20.594 46.717 47.776 1.00 0.00 ATOM 1425 C MET A 179 -21.316 45.724 47.627 1.00 0.00 ATOM 1426 N LEU A 180 -22.442 45.779 46.899 1.00 0.00 ATOM 1427 CA LEU A 180 -22.831 46.998 46.199 1.00 0.00 ATOM 1428 CB LEU A 180 -24.276 46.706 45.568 1.00 0.00 ATOM 1429 CG LEU A 180 -24.347 45.810 44.312 1.00 0.00 ATOM 1430 CD1 LEU A 180 -25.810 45.586 43.910 1.00 0.00 ATOM 1431 CD2 LEU A 180 -23.568 46.404 43.146 1.00 0.00 ATOM 1432 O LEU A 180 -22.380 49.302 46.784 1.00 0.00 ATOM 1433 C LEU A 180 -22.902 48.237 47.133 1.00 0.00 ATOM 1434 N TYR A 181 -23.492 48.153 48.422 1.00 0.00 ATOM 1435 CA TYR A 181 -23.495 49.253 49.394 1.00 0.00 ATOM 1436 CB TYR A 181 -24.120 48.787 50.710 1.00 0.00 ATOM 1437 CG TYR A 181 -24.163 49.855 51.781 1.00 0.00 ATOM 1438 CD1 TYR A 181 -25.128 50.853 51.752 1.00 0.00 ATOM 1439 CD2 TYR A 181 -23.237 49.858 52.816 1.00 0.00 ATOM 1440 CE1 TYR A 181 -25.172 51.833 52.726 1.00 0.00 ATOM 1441 CE2 TYR A 181 -23.266 50.831 53.799 1.00 0.00 ATOM 1442 CZ TYR A 181 -24.246 51.821 53.747 1.00 0.00 ATOM 1443 OH TYR A 181 -24.290 52.796 54.717 1.00 0.00 ATOM 1444 O TYR A 181 -21.823 50.924 49.753 1.00 0.00 ATOM 1445 C TYR A 181 -22.072 49.729 49.661 1.00 0.00 ATOM 1446 N GLN A 182 -21.143 48.796 49.804 1.00 0.00 ATOM 1447 CA GLN A 182 -19.752 49.129 50.060 1.00 0.00 ATOM 1448 CB GLN A 182 -19.348 48.526 51.384 1.00 0.00 ATOM 1449 CG GLN A 182 -20.038 49.219 52.544 1.00 0.00 ATOM 1450 CD GLN A 182 -19.875 48.545 53.819 1.00 0.00 ATOM 1451 OE1 GLN A 182 -19.824 47.308 53.918 1.00 0.00 ATOM 1452 NE2 GLN A 182 -19.891 49.363 54.864 1.00 0.00 ATOM 1453 O GLN A 182 -19.244 47.391 48.491 1.00 0.00 ATOM 1454 C GLN A 182 -18.895 48.453 48.996 1.00 0.00 ATOM 1455 N PHE A 183 -17.787 49.110 48.672 1.00 0.00 ATOM 1456 CA PHE A 183 -16.784 48.550 47.772 1.00 0.00 ATOM 1457 CB PHE A 183 -16.760 49.064 46.474 1.00 0.00 ATOM 1458 CG PHE A 183 -17.774 48.275 45.687 1.00 0.00 ATOM 1459 CD1 PHE A 183 -17.673 46.888 45.589 1.00 0.00 ATOM 1460 CD2 PHE A 183 -18.849 48.911 45.071 1.00 0.00 ATOM 1461 CE1 PHE A 183 -18.628 46.146 44.888 1.00 0.00 ATOM 1462 CE2 PHE A 183 -19.810 48.180 44.369 1.00 0.00 ATOM 1463 CZ PHE A 183 -19.699 46.796 44.278 1.00 0.00 ATOM 1464 O PHE A 183 -14.550 49.231 48.361 1.00 0.00 ATOM 1465 C PHE A 183 -15.423 48.373 48.469 1.00 0.00 ATOM 1466 N TYR A 184 -15.312 47.146 49.132 1.00 0.00 ATOM 1467 CA TYR A 184 -14.020 46.925 49.767 1.00 0.00 ATOM 1468 CB TYR A 184 -13.836 47.876 50.951 1.00 0.00 ATOM 1469 CG TYR A 184 -14.859 47.691 52.050 1.00 0.00 ATOM 1470 CD1 TYR A 184 -14.637 46.793 53.086 1.00 0.00 ATOM 1471 CD2 TYR A 184 -16.044 48.416 52.047 1.00 0.00 ATOM 1472 CE1 TYR A 184 -15.567 46.618 54.093 1.00 0.00 ATOM 1473 CE2 TYR A 184 -16.986 48.254 53.045 1.00 0.00 ATOM 1474 CZ TYR A 184 -16.737 47.345 54.074 1.00 0.00 ATOM 1475 OH TYR A 184 -17.664 47.173 55.075 1.00 0.00 ATOM 1476 O TYR A 184 -14.962 44.808 50.389 1.00 0.00 ATOM 1477 C TYR A 184 -13.942 45.488 50.266 1.00 0.00 ATOM 1478 N ASP A 185 -12.722 45.033 50.537 1.00 0.00 ATOM 1479 CA ASP A 185 -12.477 43.674 51.021 1.00 0.00 ATOM 1480 CB ASP A 185 -10.998 43.312 50.880 1.00 0.00 ATOM 1481 CG ASP A 185 -10.702 41.888 51.304 1.00 0.00 ATOM 1482 OD1 ASP A 185 -11.616 41.225 51.836 1.00 0.00 ATOM 1483 OD2 ASP A 185 -9.555 41.434 51.105 1.00 0.00 ATOM 1484 O ASP A 185 -12.150 44.053 53.367 1.00 0.00 ATOM 1485 C ASP A 185 -12.873 43.585 52.490 1.00 0.00 ATOM 1486 N LYS A 186 -14.022 42.967 52.757 1.00 0.00 ATOM 1487 CA LYS A 186 -14.527 42.861 54.123 1.00 0.00 ATOM 1488 CB LYS A 186 -15.987 42.402 54.128 1.00 0.00 ATOM 1489 CG LYS A 186 -16.973 43.477 53.717 1.00 0.00 ATOM 1490 CD LYS A 186 -18.407 42.976 53.828 1.00 0.00 ATOM 1491 CE LYS A 186 -19.411 44.075 53.522 1.00 0.00 ATOM 1492 NZ LYS A 186 -19.279 44.601 52.138 1.00 0.00 ATOM 1493 O LYS A 186 -13.444 42.173 56.144 1.00 0.00 ATOM 1494 C LYS A 186 -13.687 41.911 54.969 1.00 0.00 ATOM 1495 N ALA A 187 -13.207 40.832 54.360 1.00 0.00 ATOM 1496 CA ALA A 187 -12.379 39.870 55.084 1.00 0.00 ATOM 1497 CB ALA A 187 -12.225 38.587 54.265 1.00 0.00 ATOM 1498 O ALA A 187 -10.351 39.979 56.366 1.00 0.00 ATOM 1499 C ALA A 187 -11.002 40.442 55.428 1.00 0.00 ATOM 1500 N ILE A 188 -12.611 41.547 56.677 1.00 0.00 ATOM 1501 CA ILE A 188 -12.694 41.875 58.095 1.00 0.00 ATOM 1502 CB ILE A 188 -14.076 41.854 58.640 1.00 0.00 ATOM 1503 CG1 ILE A 188 -14.887 40.612 58.267 1.00 0.00 ATOM 1504 CG2 ILE A 188 -14.753 43.112 58.114 1.00 0.00 ATOM 1505 CD1 ILE A 188 -16.219 40.515 59.002 1.00 0.00 ATOM 1506 O ILE A 188 -12.015 40.506 59.935 1.00 0.00 ATOM 1507 C ILE A 188 -11.711 41.014 58.878 1.00 0.00 ATOM 1508 N SER A 189 -10.518 40.828 58.311 1.00 0.00 ATOM 1509 CA SER A 189 -9.565 39.891 58.873 1.00 0.00 ATOM 1510 CB SER A 189 -9.674 38.533 58.176 1.00 0.00 ATOM 1511 OG SER A 189 -8.720 37.620 58.686 1.00 0.00 ATOM 1512 O SER A 189 -7.792 40.730 57.533 1.00 0.00 ATOM 1513 C SER A 189 -8.181 40.456 58.671 1.00 0.00 ATOM 1514 N THR A 190 -7.430 40.587 59.757 1.00 0.00 ATOM 1515 CA THR A 190 -6.125 41.242 59.729 1.00 0.00 ATOM 1516 CB THR A 190 -5.505 41.322 61.136 1.00 0.00 ATOM 1517 CG2 THR A 190 -4.131 41.971 61.076 1.00 0.00 ATOM 1518 OG1 THR A 190 -6.350 42.102 61.991 1.00 0.00 ATOM 1519 O THR A 190 -4.366 41.136 58.016 1.00 0.00 ATOM 1520 C THR A 190 -5.124 40.508 58.794 1.00 0.00 ATOM 1521 N GLU A 191 -5.120 39.187 58.866 1.00 0.00 ATOM 1522 CA GLU A 191 -4.209 38.375 58.069 1.00 0.00 ATOM 1523 CB GLU A 191 -4.275 36.894 58.443 1.00 0.00 ATOM 1524 CG GLU A 191 -3.695 36.572 59.810 1.00 0.00 ATOM 1525 CD GLU A 191 -3.889 35.119 60.198 1.00 0.00 ATOM 1526 OE1 GLU A 191 -4.541 34.381 59.429 1.00 0.00 ATOM 1527 OE2 GLU A 191 -3.390 34.718 61.270 1.00 0.00 ATOM 1528 O GLU A 191 -3.630 38.647 55.745 1.00 0.00 ATOM 1529 C GLU A 191 -4.543 38.503 56.577 1.00 0.00 ATOM 1530 N THR A 192 -5.834 38.569 56.245 1.00 0.00 ATOM 1531 CA THR A 192 -6.241 38.712 54.832 1.00 0.00 ATOM 1532 CB THR A 192 -7.764 38.562 54.663 1.00 0.00 ATOM 1533 CG2 THR A 192 -8.160 38.753 53.208 1.00 0.00 ATOM 1534 OG1 THR A 192 -8.167 37.254 55.086 1.00 0.00 ATOM 1535 O THR A 192 -5.388 40.216 53.155 1.00 0.00 ATOM 1536 C THR A 192 -5.837 40.084 54.318 1.00 0.00 ATOM 1537 N ILE A 193 -6.020 41.108 55.154 1.00 0.00 ATOM 1538 CA ILE A 193 -5.645 42.461 54.742 1.00 0.00 ATOM 1539 CB ILE A 193 -5.944 43.491 55.847 1.00 0.00 ATOM 1540 CG1 ILE A 193 -7.453 43.630 56.052 1.00 0.00 ATOM 1541 CG2 ILE A 193 -5.379 44.853 55.473 1.00 0.00 ATOM 1542 CD1 ILE A 193 -7.831 44.411 57.291 1.00 0.00 ATOM 1543 O ILE A 193 -3.748 43.095 53.399 1.00 0.00 ATOM 1544 C ILE A 193 -4.156 42.545 54.424 1.00 0.00 ATOM 1545 N LEU A 194 -3.338 41.988 55.304 1.00 0.00 ATOM 1546 CA LEU A 194 -1.903 41.951 55.037 1.00 0.00 ATOM 1547 CB LEU A 194 -1.164 41.257 56.183 1.00 0.00 ATOM 1548 CG LEU A 194 0.354 41.129 56.030 1.00 0.00 ATOM 1549 CD1 LEU A 194 1.004 42.502 55.953 1.00 0.00 ATOM 1550 CD2 LEU A 194 0.952 40.388 57.216 1.00 0.00 ATOM 1551 O LEU A 194 -0.698 41.696 52.965 1.00 0.00 ATOM 1552 C LEU A 194 -1.532 41.214 53.743 1.00 0.00 ATOM 1553 N GLN A 195 -2.170 40.044 53.526 1.00 0.00 ATOM 1554 CA GLN A 195 -1.907 39.264 52.325 1.00 0.00 ATOM 1555 CB GLN A 195 -2.702 37.957 52.288 1.00 0.00 ATOM 1556 CG GLN A 195 -2.228 36.915 53.289 1.00 0.00 ATOM 1557 CD GLN A 195 -3.109 35.679 53.302 1.00 0.00 ATOM 1558 OE1 GLN A 195 -4.136 35.630 52.627 1.00 0.00 ATOM 1559 NE2 GLN A 195 -2.708 34.678 54.077 1.00 0.00 ATOM 1560 O GLN A 195 -1.508 40.084 50.078 1.00 0.00 ATOM 1561 C GLN A 195 -2.275 40.073 51.081 1.00 0.00 ATOM 1562 N LEU A 196 -3.395 40.766 51.085 1.00 0.00 ATOM 1563 CA LEU A 196 -3.796 41.577 49.931 1.00 0.00 ATOM 1564 CB LEU A 196 -5.121 42.290 50.211 1.00 0.00 ATOM 1565 CG LEU A 196 -6.367 41.405 50.275 1.00 0.00 ATOM 1566 CD1 LEU A 196 -7.571 42.206 50.745 1.00 0.00 ATOM 1567 CD2 LEU A 196 -6.686 40.826 48.904 1.00 0.00 ATOM 1568 O LEU A 196 -2.293 42.792 48.486 1.00 0.00 ATOM 1569 C LEU A 196 -2.720 42.617 49.639 1.00 0.00 ATOM 1570 N LEU A 197 -2.278 43.296 50.690 1.00 0.00 ATOM 1571 CA LEU A 197 -1.251 44.313 50.519 1.00 0.00 ATOM 1572 CB LEU A 197 -1.072 45.157 51.782 1.00 0.00 ATOM 1573 CG LEU A 197 -0.026 46.271 51.710 1.00 0.00 ATOM 1574 CD1 LEU A 197 -0.382 47.273 50.621 1.00 0.00 ATOM 1575 CD2 LEU A 197 0.056 47.017 53.033 1.00 0.00 ATOM 1576 O LEU A 197 0.849 44.189 49.402 1.00 0.00 ATOM 1577 C LEU A 197 0.105 43.674 50.213 1.00 0.00 ATOM 1578 N ASP A 198 0.381 42.519 50.800 1.00 0.00 ATOM 1579 CA ASP A 198 1.613 41.792 50.483 1.00 0.00 ATOM 1580 CB ASP A 198 1.704 40.510 51.313 1.00 0.00 ATOM 1581 CG ASP A 198 2.036 40.781 52.768 1.00 0.00 ATOM 1582 OD1 ASP A 198 2.428 41.924 53.084 1.00 0.00 ATOM 1583 OD2 ASP A 198 1.904 39.851 53.590 1.00 0.00 ATOM 1584 O ASP A 198 2.676 41.575 48.339 1.00 0.00 ATOM 1585 C ASP A 198 1.641 41.401 49.020 1.00 0.00 ATOM 1586 N MET A 199 0.525 40.870 48.533 1.00 0.00 ATOM 1587 CA MET A 199 0.431 40.440 47.136 1.00 0.00 ATOM 1588 CB MET A 199 -0.892 39.714 46.886 1.00 0.00 ATOM 1589 CG MET A 199 -1.005 38.370 47.588 1.00 0.00 ATOM 1590 SD MET A 199 0.292 37.217 47.095 1.00 0.00 ATOM 1591 CE MET A 199 -0.160 36.910 45.389 1.00 0.00 ATOM 1592 O MET A 199 1.052 41.461 45.059 1.00 0.00 ATOM 1593 C MET A 199 0.500 41.603 46.162 1.00 0.00 ATOM 1594 N VAL A 200 -0.051 42.751 46.549 1.00 0.00 ATOM 1595 CA VAL A 200 0.057 43.932 45.704 1.00 0.00 ATOM 1596 CB VAL A 200 -1.016 44.978 46.060 1.00 0.00 ATOM 1597 CG1 VAL A 200 -0.799 46.254 45.260 1.00 0.00 ATOM 1598 CG2 VAL A 200 -2.405 44.443 45.746 1.00 0.00 ATOM 1599 O VAL A 200 2.044 45.049 44.959 1.00 0.00 ATOM 1600 C VAL A 200 1.437 44.554 45.905 1.00 0.00 ATOM 1601 N VAL A 201 1.942 44.482 47.135 1.00 0.00 ATOM 1602 CA VAL A 201 3.276 45.039 47.410 1.00 0.00 ATOM 1603 CB VAL A 201 3.670 44.860 48.888 1.00 0.00 ATOM 1604 CG1 VAL A 201 5.120 45.263 49.105 1.00 0.00 ATOM 1605 CG2 VAL A 201 2.792 45.722 49.781 1.00 0.00 ATOM 1606 O VAL A 201 5.373 45.042 46.151 1.00 0.00 ATOM 1607 C VAL A 201 4.392 44.380 46.575 1.00 0.00 ATOM 1608 N CYS A 202 4.229 43.078 46.276 1.00 0.00 ATOM 1609 CA CYS A 202 5.226 42.383 45.481 1.00 0.00 ATOM 1610 CB CYS A 202 4.934 40.880 45.448 1.00 0.00 ATOM 1611 SG CYS A 202 5.177 40.040 47.030 1.00 0.00 ATOM 1612 O CYS A 202 6.320 43.160 43.488 1.00 0.00 ATOM 1613 C CYS A 202 5.247 42.956 44.065 1.00 0.00 ATOM 1614 N SER A 203 4.070 43.228 43.505 1.00 0.00 ATOM 1615 CA SER A 203 4.001 43.794 42.164 1.00 0.00 ATOM 1616 CB SER A 203 2.543 43.977 41.738 1.00 0.00 ATOM 1617 OG SER A 203 1.876 42.731 41.651 1.00 0.00 ATOM 1618 O SER A 203 5.400 45.458 41.137 1.00 0.00 ATOM 1619 C SER A 203 4.717 45.142 42.111 1.00 0.00 ATOM 1620 N GLU A 204 4.571 45.928 43.177 1.00 0.00 ATOM 1621 CA GLU A 204 5.221 47.231 43.260 1.00 0.00 ATOM 1622 CB GLU A 204 4.703 48.012 44.471 1.00 0.00 ATOM 1623 CG GLU A 204 3.222 48.349 44.404 1.00 0.00 ATOM 1624 CD GLU A 204 2.746 49.129 45.613 1.00 0.00 ATOM 1625 OE1 GLU A 204 3.323 50.202 45.892 1.00 0.00 ATOM 1626 OE2 GLU A 204 1.798 48.669 46.283 1.00 0.00 ATOM 1627 O GLU A 204 7.507 47.843 42.866 1.00 0.00 ATOM 1628 C GLU A 204 6.734 47.055 43.404 1.00 0.00 ATOM 1629 N GLY A 205 4.442 48.828 42.834 1.00 0.00 ATOM 1630 CA GLY A 205 5.013 50.191 42.730 1.00 0.00 ATOM 1631 O GLY A 205 3.211 50.935 41.325 1.00 0.00 ATOM 1632 C GLY A 205 3.931 51.176 42.304 1.00 0.00 ATOM 1633 N GLU A 206 3.799 52.278 43.051 1.00 0.00 ATOM 1634 CA GLU A 206 2.869 53.306 42.681 1.00 0.00 ATOM 1635 CB GLU A 206 2.837 53.479 41.161 1.00 0.00 ATOM 1636 CG GLU A 206 4.157 53.935 40.561 1.00 0.00 ATOM 1637 CD GLU A 206 4.091 54.078 39.052 1.00 0.00 ATOM 1638 OE1 GLU A 206 3.014 53.819 38.477 1.00 0.00 ATOM 1639 OE2 GLU A 206 5.118 54.450 38.447 1.00 0.00 ATOM 1640 O GLU A 206 0.739 52.695 41.719 1.00 0.00 ATOM 1641 C GLU A 206 1.446 52.761 42.727 1.00 0.00 ATOM 1642 N VAL A 207 1.105 52.275 43.982 1.00 0.00 ATOM 1643 CA VAL A 207 -0.223 51.741 44.238 1.00 0.00 ATOM 1644 CB VAL A 207 -0.374 50.410 44.998 1.00 0.00 ATOM 1645 CG1 VAL A 207 -1.788 50.262 45.537 1.00 0.00 ATOM 1646 CG2 VAL A 207 -0.086 49.235 44.077 1.00 0.00 ATOM 1647 O VAL A 207 -0.134 53.405 45.985 1.00 0.00 ATOM 1648 C VAL A 207 -0.816 52.808 45.129 1.00 0.00 ATOM 1649 N PHE A 208 -2.139 52.964 44.966 1.00 0.00 ATOM 1650 CA PHE A 208 -2.966 53.741 45.890 1.00 0.00 ATOM 1651 CB PHE A 208 -3.771 54.796 45.130 1.00 0.00 ATOM 1652 CG PHE A 208 -2.928 55.878 44.517 1.00 0.00 ATOM 1653 CD1 PHE A 208 -2.431 55.742 43.232 1.00 0.00 ATOM 1654 CD2 PHE A 208 -2.630 57.029 45.224 1.00 0.00 ATOM 1655 CE1 PHE A 208 -1.653 56.735 42.668 1.00 0.00 ATOM 1656 CE2 PHE A 208 -1.854 58.023 44.659 1.00 0.00 ATOM 1657 CZ PHE A 208 -1.366 57.880 43.387 1.00 0.00 ATOM 1658 O PHE A 208 -4.690 52.018 45.911 1.00 0.00 ATOM 1659 C PHE A 208 -3.906 52.714 46.574 1.00 0.00 ATOM 1660 N GLU A 209 -3.719 52.587 47.873 1.00 0.00 ATOM 1661 CA GLU A 209 -4.389 51.573 48.684 1.00 0.00 ATOM 1662 CB GLU A 209 -3.448 51.042 49.766 1.00 0.00 ATOM 1663 CG GLU A 209 -4.064 49.980 50.661 1.00 0.00 ATOM 1664 CD GLU A 209 -3.112 49.499 51.737 1.00 0.00 ATOM 1665 OE1 GLU A 209 -1.960 49.983 51.772 1.00 0.00 ATOM 1666 OE2 GLU A 209 -3.515 48.637 52.546 1.00 0.00 ATOM 1667 O GLU A 209 -5.489 52.959 50.266 1.00 0.00 ATOM 1668 C GLU A 209 -5.607 52.078 49.434 1.00 0.00 ATOM 1669 N ILE A 210 -6.770 51.494 49.150 1.00 0.00 ATOM 1670 CA ILE A 210 -8.005 51.903 49.809 1.00 0.00 ATOM 1671 CB ILE A 210 -9.084 52.420 49.163 1.00 0.00 ATOM 1672 CG1 ILE A 210 -8.833 53.923 49.026 1.00 0.00 ATOM 1673 CG2 ILE A 210 -10.413 52.158 49.917 1.00 0.00 ATOM 1674 CD1 ILE A 210 -9.808 54.590 48.109 1.00 0.00 ATOM 1675 O ILE A 210 -8.227 49.938 51.179 1.00 0.00 ATOM 1676 C ILE A 210 -8.217 51.178 51.146 1.00 0.00 ATOM 1677 N ASN A 211 -8.384 51.972 52.206 1.00 0.00 ATOM 1678 CA ASN A 211 -8.847 51.470 53.495 1.00 0.00 ATOM 1679 CB ASN A 211 -8.208 52.271 54.629 1.00 0.00 ATOM 1680 CG ASN A 211 -8.527 51.706 55.991 1.00 0.00 ATOM 1681 ND2 ASN A 211 -7.559 51.777 56.903 1.00 0.00 ATOM 1682 OD1 ASN A 211 -9.636 51.220 56.230 1.00 0.00 ATOM 1683 O ASN A 211 -10.815 52.830 53.676 1.00 0.00 ATOM 1684 C ASN A 211 -10.360 51.700 53.495 1.00 0.00 ATOM 1685 N CYS A 212 -11.140 50.660 53.280 1.00 0.00 ATOM 1686 CA CYS A 212 -12.608 50.745 53.235 1.00 0.00 ATOM 1687 CB CYS A 212 -13.102 50.352 51.866 1.00 0.00 ATOM 1688 SG CYS A 212 -12.586 51.575 50.618 1.00 0.00 ATOM 1689 O CYS A 212 -12.468 48.708 54.555 1.00 0.00 ATOM 1690 C CYS A 212 -13.190 49.588 54.078 1.00 0.00 ATOM 1691 N HIS A 213 -11.170 51.929 55.504 1.00 0.00 ATOM 1692 CA HIS A 213 -12.343 52.545 56.177 1.00 0.00 ATOM 1693 CB HIS A 213 -13.598 51.702 55.944 1.00 0.00 ATOM 1694 CG HIS A 213 -14.850 52.315 56.492 1.00 0.00 ATOM 1695 CD2 HIS A 213 -15.163 53.477 57.309 1.00 0.00 ATOM 1696 ND1 HIS A 213 -16.101 51.784 56.264 1.00 0.00 ATOM 1697 CE1 HIS A 213 -17.019 52.550 56.877 1.00 0.00 ATOM 1698 NE2 HIS A 213 -16.464 53.567 57.508 1.00 0.00 ATOM 1699 O HIS A 213 -11.858 51.520 58.244 1.00 0.00 ATOM 1700 C HIS A 213 -11.985 52.592 57.652 1.00 0.00 ATOM 1701 N PRO A 214 -11.838 53.805 58.232 1.00 0.00 ATOM 1702 CA PRO A 214 -11.349 53.913 59.597 1.00 0.00 ATOM 1703 CB PRO A 214 -10.601 55.247 59.616 1.00 0.00 ATOM 1704 CG PRO A 214 -11.415 56.146 58.750 1.00 0.00 ATOM 1705 CD PRO A 214 -11.950 55.284 57.640 1.00 0.00 ATOM 1706 O PRO A 214 -12.336 54.439 61.714 1.00 0.00 ATOM 1707 C PRO A 214 -12.484 53.908 60.614 1.00 0.00 ATOM 1708 N ALA A 215 -13.597 53.267 60.286 1.00 0.00 ATOM 1709 CA ALA A 215 -14.728 53.274 61.201 1.00 0.00 ATOM 1710 CB ALA A 215 -15.988 52.804 60.489 1.00 0.00 ATOM 1711 O ALA A 215 -13.691 51.414 62.325 1.00 0.00 ATOM 1712 C ALA A 215 -14.485 52.353 62.392 1.00 0.00 ATOM 1713 N PHE A 216 -15.193 52.640 63.478 1.00 0.00 ATOM 1714 CA PHE A 216 -15.246 51.775 64.644 1.00 0.00 ATOM 1715 CB PHE A 216 -15.478 52.598 65.913 1.00 0.00 ATOM 1716 CG PHE A 216 -15.519 51.777 67.169 1.00 0.00 ATOM 1717 CD1 PHE A 216 -14.354 51.280 67.727 1.00 0.00 ATOM 1718 CD2 PHE A 216 -16.723 51.502 67.794 1.00 0.00 ATOM 1719 CE1 PHE A 216 -14.391 50.525 68.884 1.00 0.00 ATOM 1720 CE2 PHE A 216 -16.761 50.747 68.950 1.00 0.00 ATOM 1721 CZ PHE A 216 -15.602 50.259 69.495 1.00 0.00 ATOM 1722 O PHE A 216 -17.505 51.233 64.115 1.00 0.00 ATOM 1723 C PHE A 216 -16.399 50.803 64.431 1.00 0.00 ATOM 1724 N ILE A 217 -16.131 49.506 64.583 1.00 0.00 ATOM 1725 CA ILE A 217 -17.076 48.465 64.211 1.00 0.00 ATOM 1726 CB ILE A 217 -16.439 47.444 63.250 1.00 0.00 ATOM 1727 CG1 ILE A 217 -15.895 48.148 62.008 1.00 0.00 ATOM 1728 CG2 ILE A 217 -17.469 46.416 62.809 1.00 0.00 ATOM 1729 CD1 ILE A 217 -16.948 48.887 61.213 1.00 0.00 ATOM 1730 O ILE A 217 -16.733 47.235 66.236 1.00 0.00 ATOM 1731 C ILE A 217 -17.551 47.714 65.450 1.00 0.00 ATOM 1732 N ASP A 218 -18.856 47.587 65.597 1.00 0.00 ATOM 1733 CA ASP A 218 -19.470 46.744 66.638 1.00 0.00 ATOM 1734 CB ASP A 218 -20.850 47.282 67.020 1.00 0.00 ATOM 1735 CG ASP A 218 -20.782 48.650 67.672 1.00 0.00 ATOM 1736 OD1 ASP A 218 -19.974 48.820 68.609 1.00 0.00 ATOM 1737 OD2 ASP A 218 -21.534 49.550 67.244 1.00 0.00 ATOM 1738 O ASP A 218 -19.956 44.426 67.045 1.00 0.00 ATOM 1739 C ASP A 218 -19.659 45.301 66.196 1.00 0.00 ATOM 1740 N THR A 219 -19.587 45.034 64.887 1.00 0.00 ATOM 1741 CA THR A 219 -19.959 43.726 64.350 1.00 0.00 ATOM 1742 CB THR A 219 -21.020 43.853 63.240 1.00 0.00 ATOM 1743 CG2 THR A 219 -22.275 44.526 63.778 1.00 0.00 ATOM 1744 OG1 THR A 219 -20.498 44.639 62.163 1.00 0.00 ATOM 1745 O THR A 219 -18.876 41.648 63.641 1.00 0.00 ATOM 1746 C THR A 219 -18.815 42.924 63.724 1.00 0.00 ATOM 1747 N ILE A 220 -17.805 43.652 63.258 1.00 0.00 ATOM 1748 CA ILE A 220 -16.678 43.041 62.514 1.00 0.00 ATOM 1749 CB ILE A 220 -15.565 44.068 62.233 1.00 0.00 ATOM 1750 CG1 ILE A 220 -14.569 43.510 61.215 1.00 0.00 ATOM 1751 CG2 ILE A 220 -14.813 44.401 63.512 1.00 0.00 ATOM 1752 CD1 ILE A 220 -13.633 44.551 60.644 1.00 0.00 ATOM 1753 O ILE A 220 -15.501 40.917 62.543 1.00 0.00 ATOM 1754 C ILE A 220 -15.959 41.852 63.217 1.00 0.00 ATOM 1755 N LEU A 221 -15.851 41.864 64.553 1.00 0.00 ATOM 1756 CA LEU A 221 -15.095 40.800 65.190 1.00 0.00 ATOM 1757 CB LEU A 221 -14.469 41.466 66.501 1.00 0.00 ATOM 1758 CG LEU A 221 -13.466 40.675 67.343 1.00 0.00 ATOM 1759 CD1 LEU A 221 -12.310 40.273 66.467 1.00 0.00 ATOM 1760 CD2 LEU A 221 -13.005 41.518 68.523 1.00 0.00 ATOM 1761 O LEU A 221 -15.198 38.432 65.486 1.00 0.00 ATOM 1762 C LEU A 221 -15.848 39.463 65.324 1.00 0.00 ATOM 1763 N GLN A 222 -17.154 39.456 65.261 1.00 0.00 ATOM 1764 CA GLN A 222 -17.921 38.216 65.389 1.00 0.00 ATOM 1765 CB GLN A 222 -19.427 38.483 65.337 1.00 0.00 ATOM 1766 CG GLN A 222 -19.949 39.324 66.490 1.00 0.00 ATOM 1767 CD GLN A 222 -21.420 39.660 66.347 1.00 0.00 ATOM 1768 OE1 GLN A 222 -22.040 39.352 65.329 1.00 0.00 ATOM 1769 NE2 GLN A 222 -21.983 40.296 67.367 1.00 0.00 ATOM 1770 O GLN A 222 -17.448 35.987 64.632 1.00 0.00 ATOM 1771 C GLN A 222 -17.564 37.175 64.330 1.00 0.00 ATOM 1772 N ASN A 223 -17.389 37.624 63.089 1.00 0.00 ATOM 1773 CA ASN A 223 -17.042 36.712 62.005 1.00 0.00 ATOM 1774 CB ASN A 223 -17.041 37.450 60.664 1.00 0.00 ATOM 1775 CG ASN A 223 -18.439 37.715 60.144 1.00 0.00 ATOM 1776 ND2 ASN A 223 -18.798 38.989 60.037 1.00 0.00 ATOM 1777 OD1 ASN A 223 -19.185 36.784 59.840 1.00 0.00 ATOM 1778 O ASN A 223 -15.434 34.932 61.974 1.00 0.00 ATOM 1779 C ASN A 223 -15.655 36.116 62.221 1.00 0.00 ATOM 1780 N GLN A 224 -14.735 36.938 62.726 1.00 0.00 ATOM 1781 CA GLN A 224 -13.385 36.457 62.983 1.00 0.00 ATOM 1782 CB GLN A 224 -12.456 36.824 61.824 1.00 0.00 ATOM 1783 CG GLN A 224 -12.817 36.160 60.505 1.00 0.00 ATOM 1784 CD GLN A 224 -11.939 36.623 59.359 1.00 0.00 ATOM 1785 OE1 GLN A 224 -11.228 37.621 59.475 1.00 0.00 ATOM 1786 NE2 GLN A 224 -11.987 35.899 58.248 1.00 0.00 ATOM 1787 O GLN A 224 -11.732 37.709 64.194 1.00 0.00 ATOM 1788 C GLN A 224 -12.782 37.073 64.247 1.00 0.00 ATOM 1789 N SER A 225 -13.440 36.863 65.385 1.00 0.00 ATOM 1790 CA SER A 225 -12.959 37.399 66.665 1.00 0.00 ATOM 1791 CB SER A 225 -13.770 36.815 67.823 1.00 0.00 ATOM 1792 OG SER A 225 -13.299 37.296 69.070 1.00 0.00 ATOM 1793 O SER A 225 -10.680 37.928 67.225 1.00 0.00 ATOM 1794 C SER A 225 -11.495 37.055 66.917 1.00 0.00 ATOM 1795 N GLY A 226 -11.171 35.772 66.809 1.00 0.00 ATOM 1796 CA GLY A 226 -9.809 35.330 67.049 1.00 0.00 ATOM 1797 O GLY A 226 -7.786 36.521 66.612 1.00 0.00 ATOM 1798 C GLY A 226 -8.796 35.997 66.145 1.00 0.00 ATOM 1799 N TYR A 227 -9.072 35.983 64.847 1.00 0.00 ATOM 1800 CA TYR A 227 -8.175 36.571 63.863 1.00 0.00 ATOM 1801 CB TYR A 227 -8.697 36.320 62.446 1.00 0.00 ATOM 1802 CG TYR A 227 -8.527 34.893 61.975 1.00 0.00 ATOM 1803 CD1 TYR A 227 -9.615 34.031 61.913 1.00 0.00 ATOM 1804 CD2 TYR A 227 -7.282 34.412 61.595 1.00 0.00 ATOM 1805 CE1 TYR A 227 -9.470 32.725 61.484 1.00 0.00 ATOM 1806 CE2 TYR A 227 -7.118 33.110 61.164 1.00 0.00 ATOM 1807 CZ TYR A 227 -8.227 32.265 61.110 1.00 0.00 ATOM 1808 OH TYR A 227 -8.079 30.967 60.682 1.00 0.00 ATOM 1809 O TYR A 227 -6.910 38.615 63.970 1.00 0.00 ATOM 1810 C TYR A 227 -8.020 38.081 64.043 1.00 0.00 ATOM 1811 N CYS A 228 -9.128 38.780 64.251 1.00 0.00 ATOM 1812 CA CYS A 228 -9.117 40.223 64.424 1.00 0.00 ATOM 1813 CB CYS A 228 -9.727 40.914 63.203 1.00 0.00 ATOM 1814 SG CYS A 228 -11.431 40.429 62.843 1.00 0.00 ATOM 1815 O CYS A 228 -10.896 40.245 66.011 1.00 0.00 ATOM 1816 C CYS A 228 -9.865 40.782 65.612 1.00 0.00 ATOM 1817 N MET A 229 -9.366 41.977 66.199 1.00 0.00 ATOM 1818 CA MET A 229 -10.042 42.693 67.267 1.00 0.00 ATOM 1819 CB MET A 229 -9.427 42.405 68.637 1.00 0.00 ATOM 1820 CG MET A 229 -10.213 42.980 69.804 1.00 0.00 ATOM 1821 SD MET A 229 -9.452 42.623 71.399 1.00 0.00 ATOM 1822 CE MET A 229 -9.844 40.886 71.580 1.00 0.00 ATOM 1823 O MET A 229 -8.794 44.540 66.396 1.00 0.00 ATOM 1824 C MET A 229 -9.867 44.141 66.848 1.00 0.00 ATOM 1825 N PRO A 230 -10.933 44.936 66.960 1.00 0.00 ATOM 1826 CA PRO A 230 -10.812 46.327 66.539 1.00 0.00 ATOM 1827 CB PRO A 230 -12.053 46.989 67.099 1.00 0.00 ATOM 1828 CG PRO A 230 -13.058 45.882 67.074 1.00 0.00 ATOM 1829 CD PRO A 230 -12.257 44.719 67.605 1.00 0.00 ATOM 1830 O PRO A 230 -8.950 47.855 66.540 1.00 0.00 ATOM 1831 C PRO A 230 -9.623 47.057 67.206 1.00 0.00 ATOM 1832 N ARG A 231 -9.399 46.811 68.493 1.00 0.00 ATOM 1833 CA ARG A 231 -8.294 47.446 69.210 1.00 0.00 ATOM 1834 CB ARG A 231 -8.310 47.029 70.682 1.00 0.00 ATOM 1835 CG ARG A 231 -9.411 47.672 71.500 1.00 0.00 ATOM 1836 CD ARG A 231 -9.565 46.989 72.850 1.00 0.00 ATOM 1837 NE ARG A 231 -10.539 47.670 73.700 1.00 0.00 ATOM 1838 CZ ARG A 231 -11.144 47.111 74.744 1.00 0.00 ATOM 1839 NH1 ARG A 231 -12.013 47.810 75.464 1.00 0.00 ATOM 1840 NH2 ARG A 231 -10.892 45.847 75.061 1.00 0.00 ATOM 1841 O ARG A 231 -6.070 47.939 68.441 1.00 0.00 ATOM 1842 C ARG A 231 -6.945 47.085 68.598 1.00 0.00 ATOM 1843 N ILE A 232 -6.783 45.814 68.252 1.00 0.00 ATOM 1844 CA ILE A 232 -5.541 45.335 67.664 1.00 0.00 ATOM 1845 CB ILE A 232 -5.562 43.800 67.530 1.00 0.00 ATOM 1846 CG1 ILE A 232 -5.774 43.168 68.904 1.00 0.00 ATOM 1847 CG2 ILE A 232 -4.259 43.309 66.907 1.00 0.00 ATOM 1848 CD1 ILE A 232 -6.038 41.678 68.850 1.00 0.00 ATOM 1849 O ILE A 232 -4.124 46.332 66.009 1.00 0.00 ATOM 1850 C ILE A 232 -5.257 45.949 66.294 1.00 0.00 ATOM 1851 N ARG A 233 -6.280 46.044 65.450 1.00 0.00 ATOM 1852 CA ARG A 233 -6.103 46.605 64.117 1.00 0.00 ATOM 1853 CB ARG A 233 -7.401 46.494 63.314 1.00 0.00 ATOM 1854 CG ARG A 233 -7.298 47.023 61.891 1.00 0.00 ATOM 1855 CD ARG A 233 -8.582 46.777 61.117 1.00 0.00 ATOM 1856 NE ARG A 233 -8.515 47.317 59.761 1.00 0.00 ATOM 1857 CZ ARG A 233 -9.520 47.282 58.893 1.00 0.00 ATOM 1858 NH1 ARG A 233 -9.366 47.797 57.680 1.00 0.00 ATOM 1859 NH2 ARG A 233 -10.676 46.731 59.238 1.00 0.00 ATOM 1860 O ARG A 233 -4.840 48.596 63.614 1.00 0.00 ATOM 1861 C ARG A 233 -5.716 48.080 64.312 1.00 0.00 ATOM 1862 N GLU A 234 -6.363 48.755 65.258 1.00 0.00 ATOM 1863 CA GLU A 234 -6.032 50.160 65.528 1.00 0.00 ATOM 1864 CB GLU A 234 -6.933 50.721 66.630 1.00 0.00 ATOM 1865 CG GLU A 234 -8.380 50.919 66.207 1.00 0.00 ATOM 1866 CD GLU A 234 -9.267 51.359 67.355 1.00 0.00 ATOM 1867 OE1 GLU A 234 -8.765 51.436 68.497 1.00 0.00 ATOM 1868 OE2 GLU A 234 -10.463 51.625 67.113 1.00 0.00 ATOM 1869 O GLU A 234 -3.872 51.205 65.615 1.00 0.00 ATOM 1870 C GLU A 234 -4.572 50.261 65.979 1.00 0.00 ATOM 1871 N VAL A 235 -4.106 49.290 66.758 1.00 0.00 ATOM 1872 CA VAL A 235 -2.719 49.314 67.211 1.00 0.00 ATOM 1873 CB VAL A 235 -2.418 48.145 68.168 1.00 0.00 ATOM 1874 CG1 VAL A 235 -0.924 48.084 68.468 1.00 0.00 ATOM 1875 CG2 VAL A 235 -3.205 48.326 69.460 1.00 0.00 ATOM 1876 O VAL A 235 -0.782 49.984 65.949 1.00 0.00 ATOM 1877 C VAL A 235 -1.768 49.238 66.009 1.00 0.00 ATOM 1878 N GLU A 236 -2.055 48.351 65.056 1.00 0.00 ATOM 1879 CA GLU A 236 -1.202 48.236 63.870 1.00 0.00 ATOM 1880 CB GLU A 236 -1.716 47.130 62.948 1.00 0.00 ATOM 1881 CG GLU A 236 -1.684 45.741 63.566 1.00 0.00 ATOM 1882 CD GLU A 236 -2.285 44.686 62.657 1.00 0.00 ATOM 1883 OE1 GLU A 236 -2.745 45.044 61.554 1.00 0.00 ATOM 1884 OE2 GLU A 236 -2.295 43.500 63.051 1.00 0.00 ATOM 1885 O GLU A 236 -0.158 50.012 62.620 1.00 0.00 ATOM 1886 C GLU A 236 -1.203 49.561 63.106 1.00 0.00 ATOM 1887 N ILE A 237 1.172 49.310 65.369 1.00 0.00 ATOM 1888 CA ILE A 237 2.631 49.482 65.334 1.00 0.00 ATOM 1889 CB ILE A 237 3.027 50.965 65.451 1.00 0.00 ATOM 1890 CG1 ILE A 237 4.468 51.172 64.981 1.00 0.00 ATOM 1891 CG2 ILE A 237 2.920 51.432 66.896 1.00 0.00 ATOM 1892 CD1 ILE A 237 4.677 50.884 63.512 1.00 0.00 ATOM 1893 O ILE A 237 4.529 48.476 66.419 1.00 0.00 ATOM 1894 C ILE A 237 3.324 48.743 66.472 1.00 0.00 ATOM 1895 N LEU A 238 2.594 48.438 67.523 1.00 0.00 ATOM 1896 CA LEU A 238 3.195 47.967 68.778 1.00 0.00 ATOM 1897 CB LEU A 238 2.636 48.751 69.967 1.00 0.00 ATOM 1898 CG LEU A 238 2.888 50.260 69.962 1.00 0.00 ATOM 1899 CD1 LEU A 238 2.190 50.925 71.139 1.00 0.00 ATOM 1900 CD2 LEU A 238 4.376 50.557 70.063 1.00 0.00 ATOM 1901 O LEU A 238 3.406 45.954 70.037 1.00 0.00 ATOM 1902 C LEU A 238 2.933 46.505 69.052 1.00 0.00 ATOM 1903 N THR A 239 2.105 45.911 68.220 1.00 0.00 ATOM 1904 CA THR A 239 1.689 44.538 68.397 1.00 0.00 ATOM 1905 CB THR A 239 0.204 44.444 68.791 1.00 0.00 ATOM 1906 CG2 THR A 239 -0.036 45.122 70.132 1.00 0.00 ATOM 1907 OG1 THR A 239 -0.600 45.089 67.795 1.00 0.00 ATOM 1908 O THR A 239 2.931 43.196 66.821 1.00 0.00 ATOM 1909 C THR A 239 1.853 43.688 67.143 1.00 0.00 ATOM 1910 N SER A 240 0.778 43.536 66.168 1.00 0.00 ATOM 1911 CA SER A 240 0.881 42.718 64.959 1.00 0.00 ATOM 1912 CB SER A 240 -0.435 42.744 64.179 1.00 0.00 ATOM 1913 OG SER A 240 -1.480 42.138 64.921 1.00 0.00 ATOM 1914 O SER A 240 2.546 42.292 63.255 1.00 0.00 ATOM 1915 C SER A 240 1.958 43.138 63.957 1.00 0.00 ATOM 1916 N GLN A 241 2.231 44.425 63.812 1.00 0.00 ATOM 1917 CA GLN A 241 3.225 44.886 62.852 1.00 0.00 ATOM 1918 CB GLN A 241 4.689 44.952 63.654 1.00 0.00 ATOM 1919 CG GLN A 241 4.662 44.907 65.186 1.00 0.00 ATOM 1920 CD GLN A 241 6.121 44.974 65.626 1.00 0.00 ATOM 1921 OE1 GLN A 241 6.983 44.211 65.296 1.00 0.00 ATOM 1922 NE2 GLN A 241 6.486 46.034 66.345 1.00 0.00 ATOM 1923 O GLN A 241 4.190 44.295 60.729 1.00 0.00 ATOM 1924 C GLN A 241 3.154 44.361 61.418 1.00 0.00 ATOM 1925 N GLU A 242 1.954 44.143 60.881 1.00 0.00 ATOM 1926 CA GLU A 242 1.881 43.589 59.564 1.00 0.00 ATOM 1927 CB GLU A 242 0.861 42.451 59.477 1.00 0.00 ATOM 1928 CG GLU A 242 1.175 41.267 60.375 1.00 0.00 ATOM 1929 CD GLU A 242 2.534 40.659 60.083 1.00 0.00 ATOM 1930 OE1 GLU A 242 2.837 40.425 58.894 1.00 0.00 ATOM 1931 OE2 GLU A 242 3.293 40.414 61.043 1.00 0.00 ATOM 1932 O GLU A 242 2.135 44.068 57.256 1.00 0.00 ATOM 1933 C GLU A 242 1.677 44.451 58.320 1.00 0.00 ATOM 1934 N VAL A 243 0.941 45.634 58.408 1.00 0.00 ATOM 1935 CA VAL A 243 0.695 46.418 57.196 1.00 0.00 ATOM 1936 CB VAL A 243 -0.655 47.137 57.363 1.00 0.00 ATOM 1937 CG1 VAL A 243 -0.960 47.988 56.139 1.00 0.00 ATOM 1938 CG2 VAL A 243 -1.780 46.128 57.537 1.00 0.00 ATOM 1939 O VAL A 243 2.413 47.433 55.886 1.00 0.00 ATOM 1940 C VAL A 243 1.747 47.480 56.924 1.00 0.00 ATOM 1941 N LYS A 244 1.912 48.453 57.827 1.00 0.00 ATOM 1942 CA LYS A 244 3.005 49.402 57.642 1.00 0.00 ATOM 1943 CB LYS A 244 2.990 50.473 58.734 1.00 0.00 ATOM 1944 CG LYS A 244 1.895 51.511 58.547 1.00 0.00 ATOM 1945 CD LYS A 244 1.744 52.420 59.764 1.00 0.00 ATOM 1946 CE LYS A 244 3.024 53.153 60.121 1.00 0.00 ATOM 1947 NZ LYS A 244 2.797 54.134 61.237 1.00 0.00 ATOM 1948 O LYS A 244 5.247 48.933 56.922 1.00 0.00 ATOM 1949 C LYS A 244 4.352 48.701 57.746 1.00 0.00 ATOM 1950 N GLU A 245 4.525 47.882 58.786 1.00 0.00 ATOM 1951 CA GLU A 245 5.801 47.146 58.916 1.00 0.00 ATOM 1952 CB GLU A 245 5.759 46.204 60.121 1.00 0.00 ATOM 1953 CG GLU A 245 5.791 46.915 61.464 1.00 0.00 ATOM 1954 CD GLU A 245 7.030 47.771 61.641 1.00 0.00 ATOM 1955 OE1 GLU A 245 8.148 47.246 61.449 1.00 0.00 ATOM 1956 OE2 GLU A 245 6.885 48.967 61.971 1.00 0.00 ATOM 1957 O GLU A 245 7.246 46.269 57.215 1.00 0.00 ATOM 1958 C GLU A 245 6.094 46.306 57.677 1.00 0.00 ATOM 1959 N ALA A 246 5.094 45.582 57.156 1.00 0.00 ATOM 1960 CA ALA A 246 5.347 44.764 55.972 1.00 0.00 ATOM 1961 CB ALA A 246 4.071 44.067 55.527 1.00 0.00 ATOM 1962 O ALA A 246 6.832 45.218 54.160 1.00 0.00 ATOM 1963 C ALA A 246 5.813 45.556 54.781 1.00 0.00 ATOM 1964 N ILE A 247 5.111 46.659 54.466 1.00 0.00 ATOM 1965 CA ILE A 247 5.471 47.471 53.330 1.00 0.00 ATOM 1966 CB ILE A 247 4.426 48.565 53.046 1.00 0.00 ATOM 1967 CG1 ILE A 247 3.103 47.937 52.603 1.00 0.00 ATOM 1968 CG2 ILE A 247 4.913 49.493 51.942 1.00 0.00 ATOM 1969 CD1 ILE A 247 1.949 48.915 52.556 1.00 0.00 ATOM 1970 O ILE A 247 7.648 48.126 52.540 1.00 0.00 ATOM 1971 C ILE A 247 6.855 48.107 53.483 1.00 0.00 ATOM 1972 N GLU A 248 7.154 48.637 54.670 1.00 0.00 ATOM 1973 CA GLU A 248 8.458 49.248 54.910 1.00 0.00 ATOM 1974 CB GLU A 248 8.586 49.852 56.310 1.00 0.00 ATOM 1975 CG GLU A 248 7.777 51.122 56.515 1.00 0.00 ATOM 1976 CD GLU A 248 7.829 51.623 57.945 1.00 0.00 ATOM 1977 OE1 GLU A 248 8.438 50.936 58.793 1.00 0.00 ATOM 1978 OE2 GLU A 248 7.262 52.702 58.219 1.00 0.00 ATOM 1979 O GLU A 248 10.581 48.381 54.156 1.00 0.00 ATOM 1980 C GLU A 248 9.529 48.141 54.742 1.00 0.00 ATOM 1981 N GLU A 249 9.247 46.927 55.235 1.00 0.00 ATOM 1982 CA GLU A 249 10.242 45.820 55.074 1.00 0.00 ATOM 1983 CB GLU A 249 9.775 44.567 55.819 1.00 0.00 ATOM 1984 CG GLU A 249 9.812 44.696 57.333 1.00 0.00 ATOM 1985 CD GLU A 249 9.275 43.465 58.036 1.00 0.00 ATOM 1986 OE1 GLU A 249 8.837 42.527 57.338 1.00 0.00 ATOM 1987 OE2 GLU A 249 9.294 43.438 59.284 1.00 0.00 ATOM 1988 O GLU A 249 11.587 44.841 53.301 1.00 0.00 ATOM 1989 C GLU A 249 10.530 45.428 53.637 1.00 0.00 ATOM 1990 N ARG A 250 9.622 45.754 52.762 1.00 0.00 ATOM 1991 CA ARG A 250 9.737 45.461 51.357 1.00 0.00 ATOM 1992 CB ARG A 250 8.400 45.162 50.676 1.00 0.00 ATOM 1993 CG ARG A 250 7.734 43.880 51.149 1.00 0.00 ATOM 1994 CD ARG A 250 8.440 42.655 50.591 1.00 0.00 ATOM 1995 NE ARG A 250 7.722 41.422 50.902 1.00 0.00 ATOM 1996 CZ ARG A 250 8.050 40.225 50.425 1.00 0.00 ATOM 1997 NH1 ARG A 250 7.339 39.157 50.765 1.00 0.00 ATOM 1998 NH2 ARG A 250 9.088 40.097 49.610 1.00 0.00 ATOM 1999 O ARG A 250 10.467 46.611 49.425 1.00 0.00 ATOM 2000 C ARG A 250 10.353 46.664 50.635 1.00 0.00 ATOM 2001 N GLY A 251 10.674 47.725 51.373 1.00 0.00 ATOM 2002 CA GLY A 251 11.343 48.854 50.766 1.00 0.00 ATOM 2003 O GLY A 251 10.914 50.710 49.370 1.00 0.00 ATOM 2004 C GLY A 251 10.418 49.919 50.174 1.00 0.00 ATOM 2005 N ILE A 252 9.210 50.022 50.628 1.00 0.00 ATOM 2006 CA ILE A 252 8.242 51.011 50.129 1.00 0.00 ATOM 2007 CB ILE A 252 6.758 50.619 50.263 1.00 0.00 ATOM 2008 CG1 ILE A 252 6.455 49.384 49.412 1.00 0.00 ATOM 2009 CG2 ILE A 252 5.862 51.757 49.799 1.00 0.00 ATOM 2010 CD1 ILE A 252 6.789 49.555 47.947 1.00 0.00 ATOM 2011 O ILE A 252 8.291 52.248 52.184 1.00 0.00 ATOM 2012 C ILE A 252 8.251 52.295 50.948 1.00 0.00 ATOM 2013 N LEU A 253 8.247 53.423 50.257 1.00 0.00 ATOM 2014 CA LEU A 253 8.230 54.739 50.876 1.00 0.00 ATOM 2015 CB LEU A 253 9.088 55.727 50.084 1.00 0.00 ATOM 2016 CG LEU A 253 10.566 55.364 49.922 1.00 0.00 ATOM 2017 CD1 LEU A 253 11.277 56.384 49.047 1.00 0.00 ATOM 2018 CD2 LEU A 253 11.263 55.328 51.273 1.00 0.00 ATOM 2019 O LEU A 253 6.082 54.983 49.831 1.00 0.00 ATOM 2020 C LEU A 253 6.744 55.113 50.862 1.00 0.00 ATOM 2021 N LEU A 254 6.199 55.646 51.937 1.00 0.00 ATOM 2022 CA LEU A 254 4.798 56.040 51.929 1.00 0.00 ATOM 2023 CB LEU A 254 4.173 55.825 53.308 1.00 0.00 ATOM 2024 CG LEU A 254 4.129 54.383 53.816 1.00 0.00 ATOM 2025 CD1 LEU A 254 3.574 54.328 55.232 1.00 0.00 ATOM 2026 CD2 LEU A 254 3.242 53.527 52.924 1.00 0.00 ATOM 2027 O LEU A 254 5.429 58.360 52.098 1.00 0.00 ATOM 2028 C LEU A 254 4.702 57.497 51.561 1.00 0.00 ATOM 2029 N ALA A 255 3.743 57.835 50.679 1.00 0.00 ATOM 2030 CA ALA A 255 3.554 59.215 50.199 1.00 0.00 ATOM 2031 CB ALA A 255 3.999 59.338 48.749 1.00 0.00 ATOM 2032 O ALA A 255 1.204 58.734 50.300 1.00 0.00 ATOM 2033 C ALA A 255 2.078 59.588 50.300 1.00 0.00 ATOM 2034 N ASN A 256 1.831 60.886 50.343 1.00 0.00 ATOM 2035 CA ASN A 256 0.452 61.356 50.210 1.00 0.00 ATOM 2036 CB ASN A 256 0.311 62.770 50.776 1.00 0.00 ATOM 2037 CG ASN A 256 0.546 62.824 52.274 1.00 0.00 ATOM 2038 ND2 ASN A 256 1.552 63.587 52.686 1.00 0.00 ATOM 2039 OD1 ASN A 256 -0.167 62.185 53.047 1.00 0.00 ATOM 2040 O ASN A 256 0.938 61.398 47.831 1.00 0.00 ATOM 2041 C ASN A 256 0.069 61.368 48.717 1.00 0.00 ATOM 2042 N TYR A 257 -1.229 61.538 48.448 1.00 0.00 ATOM 2043 CA TYR A 257 -1.624 61.630 47.049 1.00 0.00 ATOM 2044 CB TYR A 257 -3.142 61.779 46.929 1.00 0.00 ATOM 2045 CG TYR A 257 -3.632 61.922 45.505 1.00 0.00 ATOM 2046 CD1 TYR A 257 -3.768 60.810 44.685 1.00 0.00 ATOM 2047 CD2 TYR A 257 -3.957 63.169 44.987 1.00 0.00 ATOM 2048 CE1 TYR A 257 -4.216 60.931 43.383 1.00 0.00 ATOM 2049 CE2 TYR A 257 -4.406 63.310 43.688 1.00 0.00 ATOM 2050 CZ TYR A 257 -4.533 62.176 42.886 1.00 0.00 ATOM 2051 OH TYR A 257 -4.980 62.300 41.590 1.00 0.00 ATOM 2052 O TYR A 257 -0.507 62.660 45.192 1.00 0.00 ATOM 2053 C TYR A 257 -0.995 62.828 46.319 1.00 0.00 ATOM 2054 N GLU A 258 -0.981 64.036 46.898 1.00 0.00 ATOM 2055 CA GLU A 258 -0.326 65.168 46.253 1.00 0.00 ATOM 2056 CB GLU A 258 -0.513 66.440 47.084 1.00 0.00 ATOM 2057 CG GLU A 258 0.087 67.685 46.454 1.00 0.00 ATOM 2058 CD GLU A 258 -0.167 68.934 47.276 1.00 0.00 ATOM 2059 OE1 GLU A 258 -0.829 68.827 48.330 1.00 0.00 ATOM 2060 OE2 GLU A 258 0.296 70.021 46.867 1.00 0.00 ATOM 2061 O GLU A 258 1.712 65.381 45.001 1.00 0.00 ATOM 2062 C GLU A 258 1.183 65.008 46.053 1.00 0.00 ATOM 2063 N SER A 259 1.872 64.470 47.053 1.00 0.00 ATOM 2064 CA SER A 259 3.318 64.311 46.957 1.00 0.00 ATOM 2065 CB SER A 259 3.930 64.145 48.350 1.00 0.00 ATOM 2066 OG SER A 259 3.514 62.930 48.949 1.00 0.00 ATOM 2067 O SER A 259 4.896 62.926 45.782 1.00 0.00 ATOM 2068 C SER A 259 3.721 63.100 46.115 1.00 0.00 ATOM 2069 N LEU A 260 2.779 62.258 45.766 1.00 0.00 ATOM 2070 CA LEU A 260 3.079 61.097 44.930 1.00 0.00 ATOM 2071 CB LEU A 260 1.784 60.374 44.551 1.00 0.00 ATOM 2072 CG LEU A 260 1.938 59.112 43.697 1.00 0.00 ATOM 2073 CD1 LEU A 260 2.746 58.058 44.439 1.00 0.00 ATOM 2074 CD2 LEU A 260 0.578 58.521 43.362 1.00 0.00 ATOM 2075 O LEU A 260 4.763 60.846 43.241 1.00 0.00 ATOM 2076 C LEU A 260 3.796 61.493 43.647 1.00 0.00 ATOM 2077 N ALA A 261 3.330 62.562 43.016 1.00 0.00 ATOM 2078 CA ALA A 261 3.943 63.045 41.781 1.00 0.00 ATOM 2079 CB ALA A 261 3.099 64.150 41.162 1.00 0.00 ATOM 2080 O ALA A 261 6.248 63.446 41.250 1.00 0.00 ATOM 2081 C ALA A 261 5.329 63.628 42.047 1.00 0.00 ATOM 2082 N MET A 262 5.472 64.333 43.167 1.00 0.00 ATOM 2083 CA MET A 262 6.750 64.951 43.519 1.00 0.00 ATOM 2084 CB MET A 262 6.558 65.985 44.632 1.00 0.00 ATOM 2085 CG MET A 262 5.789 67.223 44.201 1.00 0.00 ATOM 2086 SD MET A 262 6.668 68.189 42.957 1.00 0.00 ATOM 2087 CE MET A 262 7.995 68.881 43.940 1.00 0.00 ATOM 2088 O MET A 262 8.947 64.008 43.614 1.00 0.00 ATOM 2089 C MET A 262 7.789 63.959 44.022 1.00 0.00 ENDMDL EXPDTA 2i5iA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2i5iA ATOM 1 C SER 2 10.664 51.647 41.113 1.00 0.00 ATOM 2 N ASN A 3 10.582 53.087 41.785 1.00 0.00 ATOM 3 CA ASN A 3 10.057 52.866 43.136 1.00 0.00 ATOM 4 CB ASN A 3 10.525 53.970 44.078 1.00 0.00 ATOM 5 CG ASN A 3 10.348 55.348 43.472 1.00 0.00 ATOM 6 ND2 ASN A 3 11.294 56.238 43.752 1.00 0.00 ATOM 7 OD1 ASN A 3 9.366 55.582 42.765 1.00 0.00 ATOM 8 O ASN A 3 7.900 53.116 42.080 1.00 0.00 ATOM 9 C ASN A 3 8.537 52.743 43.073 1.00 0.00 ATOM 10 N LYS A 4 7.965 52.192 44.143 1.00 0.00 ATOM 11 CA LYS A 4 6.521 52.012 44.243 1.00 0.00 ATOM 12 CB LYS A 4 6.129 50.581 44.576 1.00 0.00 ATOM 13 CG LYS A 4 6.765 49.544 43.655 1.00 0.00 ATOM 14 CD LYS A 4 5.784 49.142 42.561 1.00 0.00 ATOM 15 CE LYS A 4 6.419 48.257 41.502 1.00 0.00 ATOM 16 NZ LYS A 4 5.799 46.907 41.379 1.00 0.00 ATOM 17 O LYS A 4 6.552 52.984 46.416 1.00 0.00 ATOM 18 C LYS A 4 6.002 52.973 45.314 1.00 0.00 ATOM 19 N LYS A 5 4.988 53.752 44.954 1.00 0.00 ATOM 20 CA LYS A 5 4.439 54.713 45.921 1.00 0.00 ATOM 21 CB LYS A 5 4.424 56.111 45.324 1.00 0.00 ATOM 22 CG LYS A 5 5.830 56.606 44.975 1.00 0.00 ATOM 23 CD LYS A 5 5.688 57.946 44.262 1.00 0.00 ATOM 24 CE LYS A 5 6.125 57.778 42.812 1.00 0.00 ATOM 25 NZ LYS A 5 7.587 58.037 42.720 1.00 0.00 ATOM 26 O LYS A 5 2.153 54.079 45.509 1.00 0.00 ATOM 27 C LYS A 5 3.048 54.265 46.339 1.00 0.00 ATOM 28 N LEU A 6 2.894 54.083 47.644 1.00 0.00 ATOM 29 CA LEU A 6 1.686 53.540 48.221 1.00 0.00 ATOM 30 CB LEU A 6 1.960 52.279 49.037 1.00 0.00 ATOM 31 CG LEU A 6 0.745 51.675 49.732 1.00 0.00 ATOM 32 CD1 LEU A 6 -0.335 51.286 48.729 1.00 0.00 ATOM 33 CD2 LEU A 6 1.102 50.437 50.556 1.00 0.00 ATOM 34 O LEU A 6 1.574 54.975 50.135 1.00 0.00 ATOM 35 C LEU A 6 1.005 54.571 49.140 1.00 0.00 ATOM 36 N ILE A 7 -0.176 54.972 48.726 1.00 0.00 ATOM 37 CA ILE A 7 -1.074 55.836 49.457 1.00 0.00 ATOM 38 CB ILE A 7 -1.805 56.781 48.500 1.00 0.00 ATOM 39 CG1 ILE A 7 -0.890 57.679 47.677 1.00 0.00 ATOM 40 CG2 ILE A 7 -2.841 57.587 49.268 1.00 0.00 ATOM 41 CD1 ILE A 7 -1.620 58.407 46.572 1.00 0.00 ATOM 42 O ILE A 7 -2.726 54.083 49.584 1.00 0.00 ATOM 43 C ILE A 7 -2.042 54.911 50.190 1.00 0.00 ATOM 44 N ILE A 8 -2.087 55.006 51.498 1.00 0.00 ATOM 45 CA ILE A 8 -2.990 54.317 52.408 1.00 0.00 ATOM 46 CB ILE A 8 -2.246 53.539 53.506 1.00 0.00 ATOM 47 CG1 ILE A 8 -1.225 52.597 52.896 1.00 0.00 ATOM 48 CG2 ILE A 8 -3.200 52.790 54.419 1.00 0.00 ATOM 49 CD1 ILE A 8 -0.432 51.748 53.849 1.00 0.00 ATOM 50 O ILE A 8 -3.512 56.255 53.751 1.00 0.00 ATOM 51 C ILE A 8 -3.899 55.395 52.974 1.00 0.00 ATOM 52 N ASN A 9 -5.133 55.355 52.467 1.00 0.00 ATOM 53 CA ASN A 9 -6.058 56.457 52.710 1.00 0.00 ATOM 54 CB ASN A 9 -6.579 57.096 51.411 1.00 0.00 ATOM 55 CG ASN A 9 -7.481 58.287 51.687 1.00 0.00 ATOM 56 ND2 ASN A 9 -8.732 57.980 51.953 1.00 0.00 ATOM 57 OD1 ASN A 9 -7.059 59.451 51.648 1.00 0.00 ATOM 58 O ASN A 9 -7.920 54.999 53.129 1.00 0.00 ATOM 59 C ASN A 9 -7.230 55.937 53.522 1.00 0.00 ATOM 60 N ALA A 10 -7.443 56.605 54.651 1.00 0.00 ATOM 61 CA ALA A 10 -8.581 56.296 55.507 1.00 0.00 ATOM 62 CB ALA A 10 -8.259 56.635 56.962 1.00 0.00 ATOM 63 O ALA A 10 -9.788 58.312 55.065 1.00 0.00 ATOM 64 C ALA A 10 -9.798 57.079 55.054 1.00 0.00 ATOM 65 N ASP A 11 -10.862 56.401 54.652 1.00 0.00 ATOM 66 CA ASP A 11 -12.085 57.102 54.299 1.00 0.00 ATOM 67 CB ASP A 11 -12.927 56.204 53.383 1.00 0.00 ATOM 68 CG ASP A 11 -12.255 55.916 52.054 1.00 0.00 ATOM 69 OD1 ASP A 11 -11.099 56.339 51.838 1.00 0.00 ATOM 70 OD2 ASP A 11 -12.896 55.250 51.207 1.00 0.00 ATOM 71 O ASP A 11 -12.764 56.890 56.606 1.00 0.00 ATOM 72 C ASP A 11 -12.877 57.519 55.545 1.00 0.00 ATOM 73 N ASP A 12 -13.641 58.589 55.428 1.00 0.00 ATOM 74 CA ASP A 12 -14.651 59.021 56.374 1.00 0.00 ATOM 75 CB ASP A 12 -15.380 57.810 56.982 1.00 0.00 ATOM 76 CG ASP A 12 -16.225 57.039 55.985 1.00 0.00 ATOM 77 OD1 ASP A 12 -16.539 57.635 54.936 1.00 0.00 ATOM 78 OD2 ASP A 12 -16.575 55.856 56.225 1.00 0.00 ATOM 79 O ASP A 12 -14.732 59.954 58.580 1.00 0.00 ATOM 80 C ASP A 12 -14.123 59.893 57.508 1.00 0.00 ATOM 81 N PHE A 13 -13.035 60.612 57.292 1.00 0.00 ATOM 82 CA PHE A 13 -12.621 61.626 58.295 1.00 0.00 ATOM 83 CB PHE A 13 -11.382 62.370 57.806 1.00 0.00 ATOM 84 CG PHE A 13 -10.559 63.005 58.925 1.00 0.00 ATOM 85 CD1 PHE A 13 -9.933 62.182 59.856 1.00 0.00 ATOM 86 CD2 PHE A 13 -10.441 64.377 58.998 1.00 0.00 ATOM 87 CE1 PHE A 13 -9.188 62.764 60.874 1.00 0.00 ATOM 88 CE2 PHE A 13 -9.690 64.966 60.012 1.00 0.00 ATOM 89 CZ PHE A 13 -9.065 64.142 60.925 1.00 0.00 ATOM 90 O PHE A 13 -14.485 63.014 57.700 1.00 0.00 ATOM 91 C PHE A 13 -13.754 62.577 58.594 1.00 0.00 ATOM 92 N GLY A 14 -13.979 62.946 59.860 1.00 0.00 ATOM 93 CA GLY A 14 -15.056 63.829 60.230 1.00 0.00 ATOM 94 O GLY A 14 -17.408 63.863 60.556 1.00 0.00 ATOM 95 C GLY A 14 -16.424 63.180 60.266 1.00 0.00 ATOM 96 N TYR A 15 -16.512 61.885 59.975 1.00 0.00 ATOM 97 CA TYR A 15 -17.785 61.183 59.981 1.00 0.00 ATOM 98 CB TYR A 15 -17.562 59.742 59.559 1.00 0.00 ATOM 99 CG TYR A 15 -18.775 58.936 59.170 1.00 0.00 ATOM 100 CD1 TYR A 15 -20.003 59.523 58.887 1.00 0.00 ATOM 101 CD2 TYR A 15 -18.668 57.556 59.088 1.00 0.00 ATOM 102 CE1 TYR A 15 -21.079 58.733 58.535 1.00 0.00 ATOM 103 CE2 TYR A 15 -19.748 56.764 58.730 1.00 0.00 ATOM 104 CZ TYR A 15 -20.953 57.364 58.457 1.00 0.00 ATOM 105 OH TYR A 15 -22.033 56.577 58.100 1.00 0.00 ATOM 106 O TYR A 15 -19.551 61.766 61.545 1.00 0.00 ATOM 107 C TYR A 15 -18.423 61.302 61.359 1.00 0.00 ATOM 108 N THR A 16 -17.680 60.846 62.367 1.00 0.00 ATOM 109 CA THR A 16 -18.076 61.021 63.767 1.00 0.00 ATOM 110 CB THR A 16 -18.914 59.867 64.320 1.00 0.00 ATOM 111 CG2 THR A 16 -19.468 58.868 63.292 1.00 0.00 ATOM 112 OG1 THR A 16 -18.118 58.992 65.117 1.00 0.00 ATOM 113 O THR A 16 -15.710 60.949 64.187 1.00 0.00 ATOM 114 C THR A 16 -16.825 61.276 64.610 1.00 0.00 ATOM 115 N PRO A 17 -16.962 61.862 65.790 1.00 0.00 ATOM 116 CA PRO A 17 -15.780 62.103 66.641 1.00 0.00 ATOM 117 CB PRO A 17 -16.436 62.532 67.976 1.00 0.00 ATOM 118 CG PRO A 17 -17.649 63.276 67.493 1.00 0.00 ATOM 119 CD PRO A 17 -18.187 62.351 66.410 1.00 0.00 ATOM 120 O PRO A 17 -13.653 61.038 66.822 1.00 0.00 ATOM 121 C PRO A 17 -14.872 60.904 66.851 1.00 0.00 ATOM 122 N ALA A 18 -15.374 59.692 67.077 1.00 0.00 ATOM 123 CA ALA A 18 -14.543 58.529 67.273 1.00 0.00 ATOM 124 CB ALA A 18 -15.334 57.378 67.903 1.00 0.00 ATOM 125 O ALA A 18 -12.836 57.412 66.020 1.00 0.00 ATOM 126 C ALA A 18 -13.916 57.984 65.987 1.00 0.00 ATOM 127 N VAL A 19 -14.613 58.152 64.865 1.00 0.00 ATOM 128 CA VAL A 19 -14.000 57.791 63.591 1.00 0.00 ATOM 129 CB VAL A 19 -14.969 57.920 62.409 1.00 0.00 ATOM 130 CG1 VAL A 19 -14.192 57.762 61.099 1.00 0.00 ATOM 131 CG2 VAL A 19 -16.082 56.889 62.479 1.00 0.00 ATOM 132 O VAL A 19 -11.691 58.173 63.204 1.00 0.00 ATOM 133 C VAL A 19 -12.778 58.695 63.409 1.00 0.00 ATOM 134 N THR A 20 -12.946 60.006 63.523 1.00 0.00 ATOM 135 CA THR A 20 -11.847 60.965 63.387 1.00 0.00 ATOM 136 CB THR A 20 -12.333 62.373 63.718 1.00 0.00 ATOM 137 CG2 THR A 20 -11.231 63.418 63.766 1.00 0.00 ATOM 138 OG1 THR A 20 -13.258 62.774 62.662 1.00 0.00 ATOM 139 O THR A 20 -9.497 60.557 63.872 1.00 0.00 ATOM 140 C THR A 20 -10.665 60.573 64.264 1.00 0.00 ATOM 141 N GLN A 21 -10.934 60.214 65.529 1.00 0.00 ATOM 142 CA GLN A 21 -9.765 59.905 66.377 1.00 0.00 ATOM 143 CB GLN A 21 -10.142 60.005 67.853 1.00 0.00 ATOM 144 CG GLN A 21 -10.531 61.404 68.314 1.00 0.00 ATOM 145 CD GLN A 21 -9.393 62.392 68.153 1.00 0.00 ATOM 146 OE1 GLN A 21 -8.244 62.067 68.414 1.00 0.00 ATOM 147 NE2 GLN A 21 -9.668 63.638 67.769 1.00 0.00 ATOM 148 O GLN A 21 -7.968 58.305 66.212 1.00 0.00 ATOM 149 C GLN A 21 -9.168 58.538 66.068 1.00 0.00 ATOM 150 N GLY A 22 -9.986 57.593 65.613 1.00 0.00 ATOM 151 CA GLY A 22 -9.444 56.323 65.163 1.00 0.00 ATOM 152 O GLY A 22 -7.499 55.863 63.866 1.00 0.00 ATOM 153 C GLY A 22 -8.547 56.492 63.948 1.00 0.00 ATOM 154 N ILE A 23 -8.957 57.356 63.014 1.00 0.00 ATOM 155 CA ILE A 23 -8.058 57.629 61.885 1.00 0.00 ATOM 156 CB ILE A 23 -8.777 58.502 60.841 1.00 0.00 ATOM 157 CG1 ILE A 23 -9.884 57.710 60.128 1.00 0.00 ATOM 158 CG2 ILE A 23 -7.821 59.076 59.824 1.00 0.00 ATOM 159 CD1 ILE A 23 -10.923 58.565 59.457 1.00 0.00 ATOM 160 O ILE A 23 -5.673 57.894 61.909 1.00 0.00 ATOM 161 C ILE A 23 -6.766 58.277 62.329 1.00 0.00 ATOM 162 N ILE A 24 -6.847 59.279 63.221 1.00 0.00 ATOM 163 CA ILE A 24 -5.617 59.916 63.694 1.00 0.00 ATOM 164 CB ILE A 24 -5.972 61.084 64.642 1.00 0.00 ATOM 165 CG1 ILE A 24 -6.576 62.268 63.897 1.00 0.00 ATOM 166 CG2 ILE A 24 -4.763 61.519 65.467 1.00 0.00 ATOM 167 CD1 ILE A 24 -7.126 63.425 64.710 1.00 0.00 ATOM 168 O ILE A 24 -3.466 58.977 64.109 1.00 0.00 ATOM 169 C ILE A 24 -4.679 58.907 64.326 1.00 0.00 ATOM 170 N GLU A 25 -5.199 57.948 65.087 1.00 0.00 ATOM 171 CA GLU A 25 -4.385 56.894 65.692 1.00 0.00 ATOM 172 CB GLU A 25 -5.309 56.013 66.537 1.00 0.00 ATOM 173 CG GLU A 25 -4.599 54.924 67.310 1.00 0.00 ATOM 174 CD GLU A 25 -3.713 55.370 68.454 1.00 0.00 ATOM 175 OE1 GLU A 25 -3.758 56.545 68.879 1.00 0.00 ATOM 176 OE2 GLU A 25 -2.939 54.509 68.949 1.00 0.00 ATOM 177 O GLU A 25 -2.459 55.727 64.779 1.00 0.00 ATOM 178 C GLU A 25 -3.632 56.043 64.670 1.00 0.00 ATOM 179 N ALA A 26 -4.400 55.638 63.663 1.00 0.00 ATOM 180 CA ALA A 26 -3.904 54.807 62.576 1.00 0.00 ATOM 181 CB ALA A 26 -5.104 54.440 61.692 1.00 0.00 ATOM 182 O ALA A 26 -1.931 54.881 61.230 1.00 0.00 ATOM 183 C ALA A 26 -2.820 55.520 61.786 1.00 0.00 ATOM 184 N HIS A 27 -2.867 56.848 61.732 1.00 0.00 ATOM 185 CA HIS A 27 -1.795 57.590 61.074 1.00 0.00 ATOM 186 CB HIS A 27 -2.301 58.965 60.647 1.00 0.00 ATOM 187 CG HIS A 27 -1.267 59.951 60.238 1.00 0.00 ATOM 188 CD2 HIS A 27 -0.770 61.060 60.831 1.00 0.00 ATOM 189 ND1 HIS A 27 -0.586 59.838 59.043 1.00 0.00 ATOM 190 CE1 HIS A 27 0.279 60.824 58.921 1.00 0.00 ATOM 191 NE2 HIS A 27 0.186 61.592 59.990 1.00 0.00 ATOM 192 O HIS A 27 0.556 57.424 61.591 1.00 0.00 ATOM 193 C HIS A 27 -0.578 57.736 61.976 1.00 0.00 ATOM 194 N LYS A 28 -0.809 58.207 63.198 1.00 0.00 ATOM 195 CA LYS A 28 0.294 58.583 64.085 1.00 0.00 ATOM 196 CB LYS A 28 -0.240 59.422 65.253 1.00 0.00 ATOM 197 CG LYS A 28 -0.680 60.822 64.838 1.00 0.00 ATOM 198 CD LYS A 28 -1.248 61.601 66.016 1.00 0.00 ATOM 199 CE LYS A 28 -0.184 62.497 66.635 1.00 0.00 ATOM 200 NZ LYS A 28 -0.561 62.860 68.045 1.00 0.00 ATOM 201 O LYS A 28 2.275 57.474 64.748 1.00 0.00 ATOM 202 C LYS A 28 1.059 57.368 64.590 1.00 0.00 ATOM 203 N ARG A 29 0.379 56.260 64.846 1.00 0.00 ATOM 204 CA ARG A 29 0.970 55.027 65.313 1.00 0.00 ATOM 205 CB ARG A 29 0.110 54.427 66.459 1.00 0.00 ATOM 206 CG ARG A 29 0.973 53.625 67.432 1.00 0.00 ATOM 207 CD ARG A 29 0.137 52.847 68.448 1.00 0.00 ATOM 208 NE ARG A 29 -0.574 53.784 69.310 1.00 0.00 ATOM 209 CZ ARG A 29 -0.056 54.443 70.338 1.00 0.00 ATOM 210 NH1 ARG A 29 1.207 54.299 70.700 1.00 0.00 ATOM 211 NH2 ARG A 29 -0.821 55.274 71.040 1.00 0.00 ATOM 212 O ARG A 29 1.579 52.862 64.468 1.00 0.00 ATOM 213 C ARG A 29 1.092 53.961 64.233 1.00 0.00 ATOM 214 N GLY A 30 0.608 54.232 63.020 1.00 0.00 ATOM 215 CA GLY A 30 0.429 53.182 62.031 1.00 0.00 ATOM 216 O GLY A 30 1.537 54.618 60.477 1.00 0.00 ATOM 217 C GLY A 30 0.799 53.654 60.629 1.00 0.00 ATOM 218 N VAL A 31 0.270 52.991 59.598 1.00 0.00 ATOM 219 CA VAL A 31 0.759 53.314 58.249 1.00 0.00 ATOM 220 CB VAL A 31 1.148 52.000 57.524 1.00 0.00 ATOM 221 CG1 VAL A 31 2.347 51.359 58.220 1.00 0.00 ATOM 222 CG2 VAL A 31 -0.022 51.043 57.456 1.00 0.00 ATOM 223 O VAL A 31 0.071 54.358 56.208 1.00 0.00 ATOM 224 C VAL A 31 -0.201 54.131 57.400 1.00 0.00 ATOM 225 N VAL A 32 -1.304 54.633 57.936 1.00 0.00 ATOM 226 CA VAL A 32 -2.216 55.516 57.211 1.00 0.00 ATOM 227 CB VAL A 32 -3.518 55.800 57.978 1.00 0.00 ATOM 228 CG1 VAL A 32 -4.338 56.879 57.284 1.00 0.00 ATOM 229 CG2 VAL A 32 -4.314 54.511 58.151 1.00 0.00 ATOM 230 O VAL A 32 -0.966 57.509 57.774 1.00 0.00 ATOM 231 C VAL A 32 -1.501 56.826 56.893 1.00 0.00 ATOM 232 N THR A 33 -1.456 57.200 55.612 1.00 0.00 ATOM 233 CA THR A 33 -0.724 58.409 55.235 1.00 0.00 ATOM 234 CB THR A 33 0.255 58.105 54.064 1.00 0.00 ATOM 235 CG2 THR A 33 1.015 56.813 54.249 1.00 0.00 ATOM 236 OG1 THR A 33 -0.580 57.947 52.908 1.00 0.00 ATOM 237 O THR A 33 -1.162 60.700 54.624 1.00 0.00 ATOM 238 C THR A 33 -1.612 59.549 54.789 1.00 0.00 ATOM 239 N SER A 34 -2.884 59.261 54.600 1.00 0.00 ATOM 240 CA SER A 34 -3.879 60.168 54.067 1.00 0.00 ATOM 241 CB SER A 34 -3.816 60.036 52.540 1.00 0.00 ATOM 242 OG SER A 34 -4.782 60.847 51.906 1.00 0.00 ATOM 243 O SER A 34 -5.500 58.691 55.000 1.00 0.00 ATOM 244 C SER A 34 -5.270 59.834 54.573 1.00 0.00 ATOM 245 N THR A 35 -6.168 60.794 54.501 1.00 0.00 ATOM 246 CA THR A 35 -7.584 60.575 54.759 1.00 0.00 ATOM 247 CB THR A 35 -7.909 60.819 56.241 1.00 0.00 ATOM 248 CG2 THR A 35 -7.830 62.320 56.520 1.00 0.00 ATOM 249 OG1 THR A 35 -9.226 60.376 56.610 1.00 0.00 ATOM 250 O THR A 35 -7.911 62.477 53.323 1.00 0.00 ATOM 251 C THR A 35 -8.408 61.472 53.853 1.00 0.00 ATOM 252 N THR A 36 -9.676 61.114 53.709 1.00 0.00 ATOM 253 CA THR A 36 -10.606 62.002 52.992 1.00 0.00 ATOM 254 CB THR A 36 -11.051 61.438 51.641 1.00 0.00 ATOM 255 CG2 THR A 36 -9.862 61.525 50.683 1.00 0.00 ATOM 256 OG1 THR A 36 -11.449 60.074 51.759 1.00 0.00 ATOM 257 O THR A 36 -12.304 61.291 54.463 1.00 0.00 ATOM 258 C THR A 36 -11.818 62.270 53.884 1.00 0.00 ATOM 259 N ALA A 37 -12.179 63.532 53.958 1.00 0.00 ATOM 260 CA ALA A 37 -13.121 64.079 54.918 1.00 0.00 ATOM 261 CB ALA A 37 -12.457 65.312 55.551 1.00 0.00 ATOM 262 O ALA A 37 -14.524 65.013 53.230 1.00 0.00 ATOM 263 C ALA A 37 -14.464 64.487 54.345 1.00 0.00 ATOM 264 N LEU A 38 -15.523 64.275 55.128 1.00 0.00 ATOM 265 CA LEU A 38 -16.882 64.632 54.744 1.00 0.00 ATOM 266 CB LEU A 38 -17.845 63.597 55.310 1.00 0.00 ATOM 267 CG LEU A 38 -17.687 62.133 54.899 1.00 0.00 ATOM 268 CD1 LEU A 38 -18.163 61.218 56.015 1.00 0.00 ATOM 269 CD2 LEU A 38 -18.465 61.864 53.598 1.00 0.00 ATOM 270 O LEU A 38 -17.712 66.219 56.349 1.00 0.00 ATOM 271 C LEU A 38 -17.297 66.019 55.199 1.00 0.00 ATOM 272 N PRO A 39 -17.282 67.035 54.344 1.00 0.00 ATOM 273 CA PRO A 39 -17.844 68.327 54.712 1.00 0.00 ATOM 274 CB PRO A 39 -17.613 69.216 53.470 1.00 0.00 ATOM 275 CG PRO A 39 -17.132 68.308 52.405 1.00 0.00 ATOM 276 CD PRO A 39 -16.728 67.000 52.977 1.00 0.00 ATOM 277 O PRO A 39 -19.883 69.254 55.627 1.00 0.00 ATOM 278 C PRO A 39 -19.341 68.328 55.010 1.00 0.00 ATOM 279 N THR A 40 -20.052 67.296 54.571 1.00 0.00 ATOM 280 CA THR A 40 -21.480 67.156 54.777 1.00 0.00 ATOM 281 CB THR A 40 -22.095 66.130 53.797 1.00 0.00 ATOM 282 CG2 THR A 40 -22.299 66.825 52.456 1.00 0.00 ATOM 283 OG1 THR A 40 -21.199 65.034 53.605 1.00 0.00 ATOM 284 O THR A 40 -22.924 66.717 56.656 1.00 0.00 ATOM 285 C THR A 40 -21.780 66.717 56.205 1.00 0.00 ATOM 286 N SER A 41 -20.706 66.354 56.914 1.00 0.00 ATOM 287 CA SER A 41 -20.853 65.950 58.312 1.00 0.00 ATOM 288 CB SER A 41 -19.738 64.946 58.645 1.00 0.00 ATOM 289 OG SER A 41 -20.004 64.347 59.906 1.00 0.00 ATOM 290 O SER A 41 -19.938 67.997 59.221 1.00 0.00 ATOM 291 C SER A 41 -20.772 67.105 59.286 1.00 0.00 ATOM 292 N PRO A 42 -21.648 67.149 60.285 1.00 0.00 ATOM 293 CA PRO A 42 -21.587 68.329 61.178 1.00 0.00 ATOM 294 CB PRO A 42 -22.788 68.123 62.089 1.00 0.00 ATOM 295 CG PRO A 42 -23.163 66.700 61.976 1.00 0.00 ATOM 296 CD PRO A 42 -22.688 66.196 60.634 1.00 0.00 ATOM 297 O PRO A 42 -19.875 69.461 62.432 1.00 0.00 ATOM 298 C PRO A 42 -20.285 68.396 61.972 1.00 0.00 ATOM 299 N TYR A 43 -19.602 67.276 62.131 1.00 0.00 ATOM 300 CA TYR A 43 -18.324 67.155 62.817 1.00 0.00 ATOM 301 CB TYR A 43 -18.137 65.699 63.291 1.00 0.00 ATOM 302 CG TYR A 43 -19.305 65.223 64.105 1.00 0.00 ATOM 303 CD1 TYR A 43 -19.448 65.701 65.411 1.00 0.00 ATOM 304 CD2 TYR A 43 -20.246 64.334 63.615 1.00 0.00 ATOM 305 CE1 TYR A 43 -20.500 65.292 66.187 1.00 0.00 ATOM 306 CE2 TYR A 43 -21.304 63.932 64.409 1.00 0.00 ATOM 307 CZ TYR A 43 -21.424 64.409 65.691 1.00 0.00 ATOM 308 OH TYR A 43 -22.475 64.027 66.492 1.00 0.00 ATOM 309 O TYR A 43 -15.989 67.397 62.382 1.00 0.00 ATOM 310 C TYR A 43 -17.136 67.521 61.943 1.00 0.00 ATOM 311 N PHE A 44 -17.363 67.961 60.702 1.00 0.00 ATOM 312 CA PHE A 44 -16.214 68.193 59.820 1.00 0.00 ATOM 313 CB PHE A 44 -16.709 68.689 58.456 1.00 0.00 ATOM 314 CG PHE A 44 -15.628 69.226 57.542 1.00 0.00 ATOM 315 CD1 PHE A 44 -14.708 68.373 56.958 1.00 0.00 ATOM 316 CD2 PHE A 44 -15.560 70.576 57.289 1.00 0.00 ATOM 317 CE1 PHE A 44 -13.714 68.879 56.123 1.00 0.00 ATOM 318 CE2 PHE A 44 -14.593 71.100 56.446 1.00 0.00 ATOM 319 CZ PHE A 44 -13.691 70.224 55.864 1.00 0.00 ATOM 320 O PHE A 44 -13.990 68.914 60.329 1.00 0.00 ATOM 321 C PHE A 44 -15.183 69.189 60.324 1.00 0.00 ATOM 322 N LEU A 45 -15.637 70.387 60.709 1.00 0.00 ATOM 323 CA LEU A 45 -14.710 71.435 61.096 1.00 0.00 ATOM 324 CB LEU A 45 -15.463 72.772 61.177 1.00 0.00 ATOM 325 CG LEU A 45 -15.782 73.479 59.865 1.00 0.00 ATOM 326 CD1 LEU A 45 -16.443 74.836 60.124 1.00 0.00 ATOM 327 CD2 LEU A 45 -14.561 73.724 58.996 1.00 0.00 ATOM 328 O LEU A 45 -12.773 71.272 62.522 1.00 0.00 ATOM 329 C LEU A 45 -13.985 71.052 62.367 1.00 0.00 ATOM 330 N GLU A 46 -14.679 70.424 63.298 1.00 0.00 ATOM 331 CA GLU A 46 -13.985 69.923 64.500 1.00 0.00 ATOM 332 CB GLU A 46 -15.004 69.267 65.437 1.00 0.00 ATOM 333 CG GLU A 46 -15.991 70.269 66.013 1.00 0.00 ATOM 334 CD GLU A 46 -17.179 69.603 66.674 1.00 0.00 ATOM 335 OE1 GLU A 46 -17.250 68.363 66.648 1.00 0.00 ATOM 336 OE2 GLU A 46 -18.029 70.343 67.216 1.00 0.00 ATOM 337 O GLU A 46 -11.761 68.945 64.660 1.00 0.00 ATOM 338 C GLU A 46 -12.889 68.943 64.149 1.00 0.00 ATOM 339 N ALA A 47 -13.197 68.034 63.227 1.00 0.00 ATOM 340 CA ALA A 47 -12.209 67.070 62.770 1.00 0.00 ATOM 341 CB ALA A 47 -12.860 66.129 61.757 1.00 0.00 ATOM 342 O ALA A 47 -9.825 67.420 62.400 1.00 0.00 ATOM 343 C ALA A 47 -10.995 67.760 62.180 1.00 0.00 ATOM 344 N MET A 48 -11.244 68.806 61.378 1.00 0.00 ATOM 345 CA MET A 48 -10.126 69.471 60.728 1.00 0.00 ATOM 346 CB MET A 48 -10.686 70.387 59.620 1.00 0.00 ATOM 347 CG MET A 48 -11.371 69.584 58.519 1.00 0.00 ATOM 348 SD MET A 48 -10.270 68.543 57.537 1.00 0.00 ATOM 349 CE MET A 48 -9.148 69.783 56.892 1.00 0.00 ATOM 350 O MET A 48 -8.055 70.263 61.662 1.00 0.00 ATOM 351 C MET A 48 -9.279 70.212 61.754 1.00 0.00 ATOM 352 N GLU A 49 -9.931 70.759 62.784 1.00 0.00 ATOM 353 CA GLU A 49 -9.184 71.371 63.890 1.00 0.00 ATOM 354 CB GLU A 49 -10.167 72.038 64.858 1.00 0.00 ATOM 355 CG GLU A 49 -9.608 72.572 66.158 1.00 0.00 ATOM 356 CD GLU A 49 -8.439 73.516 66.032 1.00 0.00 ATOM 357 OE1 GLU A 49 -8.216 74.116 64.959 1.00 0.00 ATOM 358 OE2 GLU A 49 -7.719 73.667 67.044 1.00 0.00 ATOM 359 O GLU A 49 -7.160 70.557 64.932 1.00 0.00 ATOM 360 C GLU A 49 -8.345 70.332 64.629 1.00 0.00 ATOM 361 N SER A 50 -8.901 69.179 64.937 1.00 0.00 ATOM 362 CA SER A 50 -8.137 68.134 65.632 1.00 0.00 ATOM 363 CB SER A 50 -9.046 66.931 65.895 1.00 0.00 ATOM 364 OG SER A 50 -8.391 65.919 66.624 1.00 0.00 ATOM 365 O SER A 50 -5.780 67.500 65.281 1.00 0.00 ATOM 366 C SER A 50 -6.913 67.721 64.843 1.00 0.00 ATOM 367 N ALA A 51 -7.133 67.618 63.511 1.00 0.00 ATOM 368 CA ALA A 51 -5.961 67.287 62.688 1.00 0.00 ATOM 369 CB ALA A 51 -6.434 67.058 61.246 1.00 0.00 ATOM 370 O ALA A 51 -3.691 68.039 62.843 1.00 0.00 ATOM 371 C ALA A 51 -4.882 68.348 62.769 1.00 0.00 ATOM 372 N ARG A 52 -5.286 69.605 62.717 1.00 0.00 ATOM 373 CA ARG A 52 -4.349 70.704 62.744 1.00 0.00 ATOM 374 CB ARG A 52 -5.067 72.047 62.715 1.00 0.00 ATOM 375 CG ARG A 52 -4.168 73.261 62.760 1.00 0.00 ATOM 376 CD ARG A 52 -4.960 74.563 62.838 1.00 0.00 ATOM 377 NE ARG A 52 -5.606 74.727 64.137 1.00 0.00 ATOM 378 CZ ARG A 52 -5.117 75.351 65.196 1.00 0.00 ATOM 379 NH1 ARG A 52 -3.923 75.932 65.192 1.00 0.00 ATOM 380 NH2 ARG A 52 -5.843 75.401 66.306 1.00 0.00 ATOM 381 O ARG A 52 -2.303 70.916 63.935 1.00 0.00 ATOM 382 C ARG A 52 -3.484 70.661 64.011 1.00 0.00 ATOM 383 N ILE A 53 -4.156 70.337 65.117 1.00 0.00 ATOM 384 CA ILE A 53 -3.363 70.450 66.358 1.00 0.00 ATOM 385 CB ILE A 53 -4.203 71.020 67.504 1.00 0.00 ATOM 386 CG1 ILE A 53 -5.281 70.095 68.048 1.00 0.00 ATOM 387 CG2 ILE A 53 -4.825 72.347 67.070 1.00 0.00 ATOM 388 CD1 ILE A 53 -6.053 70.682 69.217 1.00 0.00 ATOM 389 O ILE A 53 -1.674 69.175 67.378 1.00 0.00 ATOM 390 C ILE A 53 -2.744 69.129 66.747 1.00 0.00 ATOM 391 N SER A 54 -3.361 68.003 66.415 1.00 0.00 ATOM 392 CA SER A 54 -2.840 66.718 66.879 1.00 0.00 ATOM 393 CB SER A 54 -3.912 66.065 67.770 1.00 0.00 ATOM 394 OG SER A 54 -4.885 65.372 67.048 1.00 0.00 ATOM 395 O SER A 54 -1.700 64.781 66.092 1.00 0.00 ATOM 396 C SER A 54 -2.368 65.784 65.775 1.00 0.00 ATOM 397 N ALA A 55 -2.626 66.051 64.492 1.00 0.00 ATOM 398 CA ALA A 55 -2.109 65.224 63.400 1.00 0.00 ATOM 399 CB ALA A 55 -3.190 64.269 62.907 1.00 0.00 ATOM 400 O ALA A 55 -2.077 65.890 61.109 1.00 0.00 ATOM 401 C ALA A 55 -1.613 66.080 62.236 1.00 0.00 ATOM 402 N PRO A 56 -0.714 67.026 62.470 1.00 0.00 ATOM 403 CA PRO A 56 -0.329 68.012 61.456 1.00 0.00 ATOM 404 CB PRO A 56 0.687 68.908 62.177 1.00 0.00 ATOM 405 CG PRO A 56 1.205 68.050 63.296 1.00 0.00 ATOM 406 CD PRO A 56 0.022 67.235 63.732 1.00 0.00 ATOM 407 O PRO A 56 0.439 68.010 59.185 1.00 0.00 ATOM 408 C PRO A 56 0.351 67.376 60.242 1.00 0.00 ATOM 409 N THR A 57 0.833 66.144 60.368 1.00 0.00 ATOM 410 CA THR A 57 1.463 65.460 59.263 1.00 0.00 ATOM 411 CB THR A 57 2.475 64.409 59.756 1.00 0.00 ATOM 412 CG2 THR A 57 3.628 65.080 60.498 1.00 0.00 ATOM 413 OG1 THR A 57 1.849 63.537 60.703 1.00 0.00 ATOM 414 O THR A 57 0.813 64.157 57.341 1.00 0.00 ATOM 415 C THR A 57 0.445 64.763 58.359 1.00 0.00 ATOM 416 N LEU A 58 -0.834 64.796 58.732 1.00 0.00 ATOM 417 CA LEU A 58 -1.793 63.963 57.989 1.00 0.00 ATOM 418 CB LEU A 58 -2.937 63.555 58.910 1.00 0.00 ATOM 419 CG LEU A 58 -4.110 62.797 58.287 1.00 0.00 ATOM 420 CD1 LEU A 58 -3.632 61.501 57.657 1.00 0.00 ATOM 421 CD2 LEU A 58 -5.201 62.514 59.307 1.00 0.00 ATOM 422 O LEU A 58 -2.777 65.797 56.808 1.00 0.00 ATOM 423 C LEU A 58 -2.310 64.663 56.744 1.00 0.00 ATOM 424 N ALA A 59 -2.211 63.967 55.603 1.00 0.00 ATOM 425 CA ALA A 59 -2.723 64.568 54.367 1.00 0.00 ATOM 426 CB ALA A 59 -1.972 64.022 53.166 1.00 0.00 ATOM 427 O ALA A 59 -4.761 63.290 54.625 1.00 0.00 ATOM 428 C ALA A 59 -4.224 64.340 54.270 1.00 0.00 ATOM 429 N ILE A 60 -4.952 65.359 53.795 1.00 0.00 ATOM 430 CA ILE A 60 -6.400 65.298 53.800 1.00 0.00 ATOM 431 CB ILE A 60 -6.983 66.156 54.946 1.00 0.00 ATOM 432 CG1 ILE A 60 -6.383 65.776 56.304 1.00 0.00 ATOM 433 CG2 ILE A 60 -8.496 66.093 54.962 1.00 0.00 ATOM 434 CD1 ILE A 60 -6.906 66.655 57.428 1.00 0.00 ATOM 435 O ILE A 60 -6.758 66.885 52.050 1.00 0.00 ATOM 436 C ILE A 60 -7.039 65.772 52.484 1.00 0.00 ATOM 437 N GLY A 61 -7.874 64.921 51.912 1.00 0.00 ATOM 438 CA GLY A 61 -8.632 65.197 50.700 1.00 0.00 ATOM 439 O GLY A 61 -10.563 65.132 52.160 1.00 0.00 ATOM 440 C GLY A 61 -10.113 65.292 51.013 1.00 0.00 ATOM 441 N VAL A 62 -10.913 65.549 49.970 1.00 0.00 ATOM 442 CA VAL A 62 -12.349 65.751 50.171 1.00 0.00 ATOM 443 CB VAL A 62 -12.850 67.023 49.466 1.00 0.00 ATOM 444 CG1 VAL A 62 -12.530 67.018 47.969 1.00 0.00 ATOM 445 CG2 VAL A 62 -14.344 67.233 49.668 1.00 0.00 ATOM 446 O VAL A 62 -12.968 64.009 48.609 1.00 0.00 ATOM 447 C VAL A 62 -13.129 64.512 49.727 1.00 0.00 ATOM 448 N HIS A 63 -13.963 64.011 50.634 1.00 0.00 ATOM 449 CA HIS A 63 -14.823 62.863 50.477 1.00 0.00 ATOM 450 CB HIS A 63 -14.950 62.119 51.805 1.00 0.00 ATOM 451 CG HIS A 63 -15.111 60.636 51.706 1.00 0.00 ATOM 452 CD2 HIS A 63 -15.869 59.767 52.409 1.00 0.00 ATOM 453 ND1 HIS A 63 -14.430 59.861 50.805 1.00 0.00 ATOM 454 CE1 HIS A 63 -14.751 58.592 50.938 1.00 0.00 ATOM 455 NE2 HIS A 63 -15.636 58.503 51.917 1.00 0.00 ATOM 456 O HIS A 63 -17.100 63.636 50.778 1.00 0.00 ATOM 457 C HIS A 63 -16.208 63.301 49.999 1.00 0.00 ATOM 458 N LEU A 64 -16.403 63.348 48.671 1.00 0.00 ATOM 459 CA LEU A 64 -17.714 63.750 48.157 1.00 0.00 ATOM 460 CB LEU A 64 -17.629 64.039 46.658 1.00 0.00 ATOM 461 CG LEU A 64 -16.649 65.125 46.210 1.00 0.00 ATOM 462 CD1 LEU A 64 -16.564 65.042 44.683 1.00 0.00 ATOM 463 CD2 LEU A 64 -17.053 66.508 46.663 1.00 0.00 ATOM 464 O LEU A 64 -18.384 61.496 48.483 1.00 0.00 ATOM 465 C LEU A 64 -18.755 62.665 48.403 1.00 0.00 ATOM 466 N THR A 65 -20.032 63.026 48.517 1.00 0.00 ATOM 467 CA THR A 65 -21.104 62.082 48.726 1.00 0.00 ATOM 468 CB THR A 65 -21.349 61.841 50.245 1.00 0.00 ATOM 469 CG2 THR A 65 -21.925 63.084 50.871 1.00 0.00 ATOM 470 OG1 THR A 65 -22.273 60.762 50.411 1.00 0.00 ATOM 471 O THR A 65 -22.756 63.672 47.898 1.00 0.00 ATOM 472 C THR A 65 -22.433 62.496 48.090 1.00 0.00 ATOM 473 N LEU A 66 -23.189 61.459 47.761 1.00 0.00 ATOM 474 CA LEU A 66 -24.565 61.546 47.344 1.00 0.00 ATOM 475 CB LEU A 66 -24.720 61.155 45.865 1.00 0.00 ATOM 476 CG LEU A 66 -24.116 62.134 44.859 1.00 0.00 ATOM 477 CD1 LEU A 66 -24.224 61.595 43.437 1.00 0.00 ATOM 478 CD2 LEU A 66 -24.774 63.500 44.948 1.00 0.00 ATOM 479 O LEU A 66 -26.661 60.577 47.945 1.00 0.00 ATOM 480 C LEU A 66 -25.459 60.625 48.171 1.00 0.00 ATOM 481 N THR A 67 -24.879 59.887 49.125 1.00 0.00 ATOM 482 CA THR A 67 -25.605 58.777 49.737 1.00 0.00 ATOM 483 CB THR A 67 -25.175 57.439 49.081 1.00 0.00 ATOM 484 CG2 THR A 67 -25.311 57.450 47.569 1.00 0.00 ATOM 485 OG1 THR A 67 -23.779 57.242 49.343 1.00 0.00 ATOM 486 O THR A 67 -25.655 57.636 51.840 1.00 0.00 ATOM 487 C THR A 67 -25.352 58.663 51.237 1.00 0.00 ATOM 488 N LEU A 68 -24.778 59.691 51.857 1.00 0.00 ATOM 489 CA LEU A 68 -24.421 59.597 53.275 1.00 0.00 ATOM 490 CB LEU A 68 -23.602 60.776 53.744 1.00 0.00 ATOM 491 CG LEU A 68 -23.077 60.832 55.178 1.00 0.00 ATOM 492 CD1 LEU A 68 -22.009 59.785 55.432 1.00 0.00 ATOM 493 CD2 LEU A 68 -22.501 62.211 55.486 1.00 0.00 ATOM 494 O LEU A 68 -26.585 60.304 54.107 1.00 0.00 ATOM 495 C LEU A 68 -25.702 59.448 54.103 1.00 0.00 ATOM 496 N ASN A 69 -25.761 58.319 54.797 1.00 0.00 ATOM 497 CA ASN A 69 -26.875 58.006 55.663 1.00 0.00 ATOM 498 CB ASN A 69 -26.636 56.652 56.327 1.00 0.00 ATOM 499 CG ASN A 69 -27.783 56.171 57.180 1.00 0.00 ATOM 500 ND2 ASN A 69 -29.009 56.056 56.689 1.00 0.00 ATOM 501 OD1 ASN A 69 -27.514 55.886 58.347 1.00 0.00 ATOM 502 O ASN A 69 -26.141 59.586 57.301 1.00 0.00 ATOM 503 C ASN A 69 -27.080 59.138 56.665 1.00 0.00 ATOM 504 N GLN A 70 -28.311 59.600 56.752 1.00 0.00 ATOM 505 CA GLN A 70 -28.849 60.512 57.736 1.00 0.00 ATOM 506 CB GLN A 70 -28.610 59.947 59.141 1.00 0.00 ATOM 507 CG GLN A 70 -29.493 58.716 59.407 1.00 0.00 ATOM 508 CD GLN A 70 -29.068 58.063 60.717 1.00 0.00 ATOM 509 OE1 GLN A 70 -28.691 56.884 60.723 1.00 0.00 ATOM 510 NE2 GLN A 70 -29.087 58.859 61.766 1.00 0.00 ATOM 511 O GLN A 70 -28.282 62.715 58.554 1.00 0.00 ATOM 512 C GLN A 70 -28.283 61.913 57.618 1.00 0.00 ATOM 513 N ALA A 71 -27.814 62.232 56.411 1.00 0.00 ATOM 514 CA ALA A 71 -27.318 63.581 56.176 1.00 0.00 ATOM 515 CB ALA A 71 -25.830 63.557 55.926 1.00 0.00 ATOM 516 O ALA A 71 -28.698 63.504 54.202 1.00 0.00 ATOM 517 C ALA A 71 -28.046 64.202 54.982 1.00 0.00 ATOM 518 N LYS A 72 -27.917 65.499 54.888 1.00 0.00 ATOM 519 CA LYS A 72 -28.509 66.305 53.837 1.00 0.00 ATOM 520 CB LYS A 72 -29.328 67.442 54.428 1.00 0.00 ATOM 521 CG LYS A 72 -30.404 67.025 55.417 1.00 0.00 ATOM 522 CD LYS A 72 -31.260 68.207 55.839 1.00 0.00 ATOM 523 CE LYS A 72 -32.636 67.745 56.271 1.00 0.00 ATOM 524 NZ LYS A 72 -33.541 68.863 56.606 1.00 0.00 ATOM 525 O LYS A 72 -26.267 67.069 53.426 1.00 0.00 ATOM 526 C LYS A 72 -27.393 66.895 52.976 1.00 0.00 ATOM 527 N PRO A 73 -27.691 67.245 51.734 1.00 0.00 ATOM 528 CA PRO A 73 -26.702 67.988 50.947 1.00 0.00 ATOM 529 CB PRO A 73 -27.363 68.152 49.581 1.00 0.00 ATOM 530 CG PRO A 73 -28.714 67.550 49.662 1.00 0.00 ATOM 531 CD PRO A 73 -28.932 66.969 51.019 1.00 0.00 ATOM 532 O PRO A 73 -27.176 69.906 52.336 1.00 0.00 ATOM 533 C PRO A 73 -26.417 69.355 51.542 1.00 0.00 ATOM 534 N ILE A 74 -25.301 69.927 51.099 1.00 0.00 ATOM 535 CA ILE A 74 -24.923 71.299 51.406 1.00 0.00 ATOM 536 CB ILE A 74 -23.536 71.593 50.807 1.00 0.00 ATOM 537 CG1 ILE A 74 -22.401 70.680 51.327 1.00 0.00 ATOM 538 CG2 ILE A 74 -23.152 73.036 51.008 1.00 0.00 ATOM 539 CD1 ILE A 74 -22.282 70.841 52.837 1.00 0.00 ATOM 540 O ILE A 74 -26.365 73.264 51.540 1.00 0.00 ATOM 541 C ILE A 74 -25.933 72.309 50.884 1.00 0.00 ATOM 542 N LEU A 75 -26.359 72.137 49.620 1.00 0.00 ATOM 543 CA LEU A 75 -27.288 73.063 48.998 1.00 0.00 ATOM 544 CB LEU A 75 -27.174 72.974 47.469 1.00 0.00 ATOM 545 CG LEU A 75 -25.817 73.382 46.884 1.00 0.00 ATOM 546 CD1 LEU A 75 -25.760 73.111 45.387 1.00 0.00 ATOM 547 CD2 LEU A 75 -25.535 74.849 47.182 1.00 0.00 ATOM 548 O LEU A 75 -29.082 71.640 49.696 1.00 0.00 ATOM 549 C LEU A 75 -28.725 72.787 49.432 1.00 0.00 ATOM 550 N PRO A 76 -29.527 73.834 49.525 1.00 0.00 ATOM 551 CA PRO A 76 -30.931 73.628 49.959 1.00 0.00 ATOM 552 CB PRO A 76 -31.531 75.019 49.965 1.00 0.00 ATOM 553 CG PRO A 76 -30.409 75.986 49.833 1.00 0.00 ATOM 554 CD PRO A 76 -29.237 75.251 49.267 1.00 0.00 ATOM 555 O PRO A 76 -31.286 72.633 47.778 1.00 0.00 ATOM 556 C PRO A 76 -31.623 72.703 48.960 1.00 0.00 ATOM 557 N ARG A 77 -32.572 71.961 49.489 1.00 0.00 ATOM 558 CA ARG A 77 -33.277 70.931 48.749 1.00 0.00 ATOM 559 CB ARG A 77 -34.386 70.295 49.594 1.00 0.00 ATOM 560 CG ARG A 77 -35.331 71.226 50.317 1.00 0.00 ATOM 561 CD ARG A 77 -36.294 70.481 51.234 1.00 0.00 ATOM 562 NE ARG A 77 -36.982 69.376 50.575 1.00 0.00 ATOM 563 CZ ARG A 77 -37.622 68.400 51.210 1.00 0.00 ATOM 564 NH1 ARG A 77 -37.673 68.381 52.537 1.00 0.00 ATOM 565 NH2 ARG A 77 -38.218 67.430 50.529 1.00 0.00 ATOM 566 O ARG A 77 -33.923 70.817 46.433 1.00 0.00 ATOM 567 C ARG A 77 -33.884 71.481 47.463 1.00 0.00 ATOM 568 N GLU A 78 -34.388 72.704 47.516 1.00 0.00 ATOM 569 CA GLU A 78 -35.016 73.332 46.359 1.00 0.00 ATOM 570 CB GLU A 78 -35.512 74.728 46.758 1.00 0.00 ATOM 571 CG GLU A 78 -36.653 74.752 47.752 1.00 0.00 ATOM 572 CD GLU A 78 -36.235 74.520 49.187 1.00 0.00 ATOM 573 OE1 GLU A 78 -35.031 74.674 49.483 1.00 0.00 ATOM 574 OE2 GLU A 78 -37.113 74.177 50.013 1.00 0.00 ATOM 575 O GLU A 78 -34.434 73.428 44.010 1.00 0.00 ATOM 576 C GLU A 78 -34.057 73.426 45.184 1.00 0.00 ATOM 577 N MET A 79 -32.763 73.508 45.490 1.00 0.00 ATOM 578 CA MET A 79 -31.773 73.644 44.433 1.00 0.00 ATOM 579 CB MET A 79 -30.556 74.472 44.876 1.00 0.00 ATOM 580 CG MET A 79 -30.814 75.898 45.310 1.00 0.00 ATOM 581 SD MET A 79 -29.337 76.873 45.751 1.00 0.00 ATOM 582 CE MET A 79 -28.105 76.180 44.651 1.00 0.00 ATOM 583 O MET A 79 -30.837 72.238 42.790 1.00 0.00 ATOM 584 C MET A 79 -31.308 72.285 43.931 1.00 0.00 ATOM 585 N VAL A 80 -31.406 71.227 44.729 1.00 0.00 ATOM 586 CA VAL A 80 -30.938 69.891 44.351 1.00 0.00 ATOM 587 CB VAL A 80 -29.632 69.565 45.114 1.00 0.00 ATOM 588 CG1 VAL A 80 -28.473 70.353 44.515 1.00 0.00 ATOM 589 CG2 VAL A 80 -29.790 69.880 46.596 1.00 0.00 ATOM 590 O VAL A 80 -31.738 67.749 45.177 1.00 0.00 ATOM 591 C VAL A 80 -31.960 68.799 44.588 1.00 0.00 ATOM 592 N PRO A 81 -33.166 69.005 44.057 1.00 0.00 ATOM 593 CA PRO A 81 -34.304 68.198 44.479 1.00 0.00 ATOM 594 CB PRO A 81 -35.476 68.849 43.732 1.00 0.00 ATOM 595 CG PRO A 81 -34.890 69.590 42.584 1.00 0.00 ATOM 596 CD PRO A 81 -33.505 69.983 43.003 1.00 0.00 ATOM 597 O PRO A 81 -34.788 65.867 44.695 1.00 0.00 ATOM 598 C PRO A 81 -34.173 66.736 44.082 1.00 0.00 ATOM 599 N SER A 82 -33.376 66.468 43.043 1.00 0.00 ATOM 600 CA SER A 82 -33.212 65.099 42.574 1.00 0.00 ATOM 601 CB SER A 82 -32.565 65.119 41.178 1.00 0.00 ATOM 602 OG SER A 82 -31.161 65.368 41.302 1.00 0.00 ATOM 603 O SER A 82 -32.184 63.062 43.377 1.00 0.00 ATOM 604 C SER A 82 -32.329 64.272 43.495 1.00 0.00 ATOM 605 N LEU A 83 -31.674 64.964 44.434 1.00 0.00 ATOM 606 CA LEU A 83 -30.674 64.296 45.250 1.00 0.00 ATOM 607 CB LEU A 83 -29.523 65.248 45.547 1.00 0.00 ATOM 608 CG LEU A 83 -28.767 65.863 44.374 1.00 0.00 ATOM 609 CD1 LEU A 83 -27.433 66.430 44.863 1.00 0.00 ATOM 610 CD2 LEU A 83 -28.524 64.867 43.246 1.00 0.00 ATOM 611 O LEU A 83 -30.563 63.023 47.245 1.00 0.00 ATOM 612 C LEU A 83 -31.264 63.789 46.566 1.00 0.00 ATOM 613 N VAL A 84 -32.482 64.203 46.891 1.00 0.00 ATOM 614 CA VAL A 84 -32.992 63.902 48.230 1.00 0.00 ATOM 615 CB VAL A 84 -33.194 65.238 48.977 1.00 0.00 ATOM 616 CG1 VAL A 84 -31.884 66.025 48.920 1.00 0.00 ATOM 617 CG2 VAL A 84 -34.348 66.030 48.403 1.00 0.00 ATOM 618 O VAL A 84 -35.160 63.196 47.469 1.00 0.00 ATOM 619 C VAL A 84 -34.297 63.145 48.337 1.00 0.00 ATOM 620 N ASP A 85 -34.452 62.444 49.461 1.00 0.00 ATOM 621 CA ASP A 85 -35.734 61.781 49.726 1.00 0.00 ATOM 622 CB ASP A 85 -35.540 60.661 50.744 1.00 0.00 ATOM 623 CG ASP A 85 -35.189 61.107 52.154 1.00 0.00 ATOM 624 OD1 ASP A 85 -35.363 62.276 52.507 1.00 0.00 ATOM 625 OD2 ASP A 85 -34.740 60.229 52.937 1.00 0.00 ATOM 626 O ASP A 85 -36.561 64.015 50.178 1.00 0.00 ATOM 627 C ASP A 85 -36.769 62.801 50.162 1.00 0.00 ATOM 628 N GLU A 86 -37.952 62.325 50.559 1.00 0.00 ATOM 629 CA GLU A 86 -39.029 63.234 50.913 1.00 0.00 ATOM 630 CB GLU A 86 -40.274 62.408 51.301 1.00 0.00 ATOM 631 CG GLU A 86 -40.226 61.966 52.767 1.00 0.00 ATOM 632 CD GLU A 86 -41.372 61.037 53.116 1.00 0.00 ATOM 633 OE1 GLU A 86 -42.507 61.337 52.692 1.00 0.00 ATOM 634 OE2 GLU A 86 -41.145 60.017 53.799 1.00 0.00 ATOM 635 O GLU A 86 -39.295 65.277 52.121 1.00 0.00 ATOM 636 C GLU A 86 -38.705 64.184 52.051 1.00 0.00 ATOM 637 N ALA A 87 -37.785 63.797 52.946 1.00 0.00 ATOM 638 CA ALA A 87 -37.483 64.694 54.070 1.00 0.00 ATOM 639 CB ALA A 87 -37.440 63.922 55.387 1.00 0.00 ATOM 640 O ALA A 87 -35.720 66.197 54.727 1.00 0.00 ATOM 641 C ALA A 87 -36.191 65.469 53.843 1.00 0.00 ATOM 642 N GLY A 88 -35.587 65.333 52.655 1.00 0.00 ATOM 643 CA GLY A 88 -34.437 66.184 52.339 1.00 0.00 ATOM 644 O GLY A 88 -32.079 66.179 52.418 1.00 0.00 ATOM 645 C GLY A 88 -33.094 65.520 52.575 1.00 0.00 ATOM 646 N TYR A 89 -33.071 64.241 52.932 1.00 0.00 ATOM 647 CA TYR A 89 -31.831 63.515 53.152 1.00 0.00 ATOM 648 CB TYR A 89 -32.015 62.459 54.265 1.00 0.00 ATOM 649 CG TYR A 89 -32.367 63.173 55.562 1.00 0.00 ATOM 650 CD1 TYR A 89 -33.668 63.589 55.792 1.00 0.00 ATOM 651 CD2 TYR A 89 -31.392 63.444 56.517 1.00 0.00 ATOM 652 CE1 TYR A 89 -34.026 64.247 56.949 1.00 0.00 ATOM 653 CE2 TYR A 89 -31.743 64.106 57.678 1.00 0.00 ATOM 654 CZ TYR A 89 -33.042 64.499 57.887 1.00 0.00 ATOM 655 OH TYR A 89 -33.402 65.163 59.041 1.00 0.00 ATOM 656 O TYR A 89 -32.172 62.523 51.002 1.00 0.00 ATOM 657 C TYR A 89 -31.358 62.839 51.869 1.00 0.00 ATOM 658 N PHE A 90 -30.061 62.595 51.743 1.00 0.00 ATOM 659 CA PHE A 90 -29.546 61.909 50.568 1.00 0.00 ATOM 660 CB PHE A 90 -28.046 61.638 50.696 1.00 0.00 ATOM 661 CG PHE A 90 -27.129 62.825 50.506 1.00 0.00 ATOM 662 CD1 PHE A 90 -27.031 63.466 49.284 1.00 0.00 ATOM 663 CD2 PHE A 90 -26.349 63.297 51.555 1.00 0.00 ATOM 664 CE1 PHE A 90 -26.174 64.536 49.078 1.00 0.00 ATOM 665 CE2 PHE A 90 -25.490 64.358 51.356 1.00 0.00 ATOM 666 CZ PHE A 90 -25.382 64.980 50.130 1.00 0.00 ATOM 667 O PHE A 90 -30.466 59.867 51.347 1.00 0.00 ATOM 668 C PHE A 90 -30.240 60.559 50.365 1.00 0.00 ATOM 669 N TRP A 91 -30.540 60.191 49.132 1.00 0.00 ATOM 670 CA TRP A 91 -30.997 58.875 48.732 1.00 0.00 ATOM 671 CB TRP A 91 -31.118 58.804 47.204 1.00 0.00 ATOM 672 CG TRP A 91 -32.269 59.525 46.593 1.00 0.00 ATOM 673 CD1 TRP A 91 -32.264 60.542 45.687 1.00 0.00 ATOM 674 CD2 TRP A 91 -33.653 59.253 46.867 1.00 0.00 ATOM 675 CE2 TRP A 91 -34.424 60.144 46.097 1.00 0.00 ATOM 676 CE3 TRP A 91 -34.284 58.334 47.703 1.00 0.00 ATOM 677 NE1 TRP A 91 -33.553 60.923 45.382 1.00 0.00 ATOM 678 CZ2 TRP A 91 -35.821 60.140 46.135 1.00 0.00 ATOM 679 CZ3 TRP A 91 -35.665 58.332 47.740 1.00 0.00 ATOM 680 CH2 TRP A 91 -36.412 59.226 46.964 1.00 0.00 ATOM 681 O TRP A 91 -28.819 57.986 49.170 1.00 0.00 ATOM 682 C TRP A 91 -30.035 57.776 49.170 1.00 0.00 ATOM 683 N HIS A 92 -30.547 56.601 49.518 1.00 0.00 ATOM 684 CA HIS A 92 -29.742 55.437 49.867 1.00 0.00 ATOM 685 CB HIS A 92 -30.643 54.293 50.361 1.00 0.00 ATOM 686 CG HIS A 92 -29.907 53.216 51.093 1.00 0.00 ATOM 687 CD2 HIS A 92 -29.368 53.160 52.334 1.00 0.00 ATOM 688 ND1 HIS A 92 -29.644 51.981 50.563 1.00 0.00 ATOM 689 CE1 HIS A 92 -28.977 51.204 51.390 1.00 0.00 ATOM 690 NE2 HIS A 92 -28.800 51.911 52.493 1.00 0.00 ATOM 691 O HIS A 92 -29.423 55.084 47.536 1.00 0.00 ATOM 692 C HIS A 92 -28.934 54.957 48.670 1.00 0.00 ATOM 693 N GLN A 93 -27.735 54.433 48.878 1.00 0.00 ATOM 694 CA GLN A 93 -26.876 54.060 47.753 1.00 0.00 ATOM 695 CB GLN A 93 -25.527 53.483 48.182 1.00 0.00 ATOM 696 CG GLN A 93 -25.558 52.042 48.661 1.00 0.00 ATOM 697 O GLN A 93 -27.379 53.090 45.609 1.00 0.00 ATOM 698 C GLN A 93 -27.585 53.077 46.824 1.00 0.00 ATOM 699 N SER A 94 -28.421 52.227 47.404 1.00 0.00 ATOM 700 CA SER A 94 -29.130 51.209 46.646 1.00 0.00 ATOM 701 CB SER A 94 -30.010 50.316 47.526 1.00 0.00 ATOM 702 OG SER A 94 -31.280 50.957 47.692 1.00 0.00 ATOM 703 O SER A 94 -30.303 51.225 44.561 1.00 0.00 ATOM 704 C SER A 94 -30.031 51.845 45.592 1.00 0.00 ATOM 705 N ILE A 95 -30.507 53.073 45.827 1.00 0.00 ATOM 706 CA ILE A 95 -31.448 53.599 44.832 1.00 0.00 ATOM 707 CB ILE A 95 -32.860 53.673 45.458 1.00 0.00 ATOM 708 CG1 ILE A 95 -32.899 54.353 46.826 1.00 0.00 ATOM 709 CG2 ILE A 95 -33.483 52.279 45.510 1.00 0.00 ATOM 710 CD1 ILE A 95 -34.078 55.277 47.026 1.00 0.00 ATOM 711 O ILE A 95 -31.876 55.482 43.459 1.00 0.00 ATOM 712 C ILE A 95 -31.080 54.945 44.242 1.00 0.00 ATOM 713 N PHE A 96 -29.919 55.515 44.573 1.00 0.00 ATOM 714 CA PHE A 96 -29.617 56.879 44.167 1.00 0.00 ATOM 715 CB PHE A 96 -28.407 57.423 44.942 1.00 0.00 ATOM 716 CG PHE A 96 -27.057 57.125 44.314 1.00 0.00 ATOM 717 CD1 PHE A 96 -26.438 55.904 44.503 1.00 0.00 ATOM 718 CD2 PHE A 96 -26.433 58.079 43.528 1.00 0.00 ATOM 719 CE1 PHE A 96 -25.214 55.635 43.936 1.00 0.00 ATOM 720 CE2 PHE A 96 -25.199 57.825 42.962 1.00 0.00 ATOM 721 CZ PHE A 96 -24.584 56.601 43.176 1.00 0.00 ATOM 722 O PHE A 96 -29.692 58.076 42.112 1.00 0.00 ATOM 723 C PHE A 96 -29.332 57.028 42.670 1.00 0.00 ATOM 724 N GLU A 97 -28.701 56.020 42.085 1.00 0.00 ATOM 725 CA GLU A 97 -28.164 56.166 40.728 1.00 0.00 ATOM 726 CB GLU A 97 -27.499 54.871 40.275 1.00 0.00 ATOM 727 CG GLU A 97 -26.713 55.058 38.993 1.00 0.00 ATOM 728 CD GLU A 97 -26.180 53.782 38.396 1.00 0.00 ATOM 729 OE1 GLU A 97 -26.547 52.675 38.847 1.00 0.00 ATOM 730 OE2 GLU A 97 -25.378 53.903 37.443 1.00 0.00 ATOM 731 O GLU A 97 -28.986 57.388 38.841 1.00 0.00 ATOM 732 C GLU A 97 -29.248 56.595 39.741 1.00 0.00 ATOM 733 N GLU A 98 -30.437 56.059 39.941 1.00 0.00 ATOM 734 CA GLU A 98 -31.614 56.253 39.114 1.00 0.00 ATOM 735 CB GLU A 98 -32.638 55.137 39.401 1.00 0.00 ATOM 736 O GLU A 98 -33.015 58.123 38.500 1.00 0.00 ATOM 737 C GLU A 98 -32.276 57.601 39.334 1.00 0.00 ATOM 738 N LYS A 99 -32.035 58.219 40.494 1.00 0.00 ATOM 739 CA LYS A 99 -32.792 59.439 40.767 1.00 0.00 ATOM 740 CB LYS A 99 -33.107 59.490 42.264 1.00 0.00 ATOM 741 CG LYS A 99 -33.840 58.250 42.761 1.00 0.00 ATOM 742 CD LYS A 99 -35.260 58.633 43.144 1.00 0.00 ATOM 743 CE LYS A 99 -36.150 57.400 43.258 1.00 0.00 ATOM 744 NZ LYS A 99 -37.566 57.810 43.022 1.00 0.00 ATOM 745 O LYS A 99 -32.626 61.680 39.930 1.00 0.00 ATOM 746 C LYS A 99 -32.044 60.692 40.369 1.00 0.00 ATOM 747 N VAL A 100 -30.727 60.686 40.548 1.00 0.00 ATOM 748 CA VAL A 100 -30.036 61.962 40.538 1.00 0.00 ATOM 749 CB VAL A 100 -28.652 61.863 41.219 1.00 0.00 ATOM 750 CG1 VAL A 100 -28.789 61.431 42.673 1.00 0.00 ATOM 751 CG2 VAL A 100 -27.763 60.890 40.468 1.00 0.00 ATOM 752 O VAL A 100 -29.675 61.767 38.178 1.00 0.00 ATOM 753 C VAL A 100 -29.857 62.527 39.126 1.00 0.00 ATOM 754 N ASN A 101 -29.912 63.838 39.047 1.00 0.00 ATOM 755 CA ASN A 101 -29.678 64.705 37.911 1.00 0.00 ATOM 756 CB ASN A 101 -30.681 65.859 37.960 1.00 0.00 ATOM 757 CG ASN A 101 -30.367 66.995 37.007 1.00 0.00 ATOM 758 ND2 ASN A 101 -31.086 67.075 35.890 1.00 0.00 ATOM 759 OD1 ASN A 101 -29.483 67.807 37.273 1.00 0.00 ATOM 760 O ASN A 101 -27.766 65.809 38.874 1.00 0.00 ATOM 761 C ASN A 101 -28.246 65.225 37.913 1.00 0.00 ATOM 762 N LEU A 102 -27.516 65.036 36.817 1.00 0.00 ATOM 763 CA LEU A 102 -26.085 65.260 36.802 1.00 0.00 ATOM 764 CB LEU A 102 -25.501 64.824 35.446 1.00 0.00 ATOM 765 CG LEU A 102 -25.416 63.307 35.283 1.00 0.00 ATOM 766 CD1 LEU A 102 -25.166 62.948 33.824 1.00 0.00 ATOM 767 CD2 LEU A 102 -24.341 62.723 36.186 1.00 0.00 ATOM 768 O LEU A 102 -24.640 66.905 37.695 1.00 0.00 ATOM 769 C LEU A 102 -25.684 66.695 37.085 1.00 0.00 ATOM 770 N GLU A 103 -26.487 67.651 36.651 1.00 0.00 ATOM 771 CA GLU A 103 -26.214 69.056 36.872 1.00 0.00 ATOM 772 CB GLU A 103 -27.157 69.971 36.087 1.00 0.00 ATOM 773 O GLU A 103 -25.496 70.155 38.867 1.00 0.00 ATOM 774 C GLU A 103 -26.318 69.385 38.368 1.00 0.00 ATOM 775 N GLU A 104 -27.324 68.796 39.005 1.00 0.00 ATOM 776 CA GLU A 104 -27.474 68.964 40.451 1.00 0.00 ATOM 777 CB GLU A 104 -28.798 68.397 40.934 1.00 0.00 ATOM 778 CG GLU A 104 -29.998 69.167 40.410 1.00 0.00 ATOM 779 CD GLU A 104 -31.322 68.598 40.840 1.00 0.00 ATOM 780 OE1 GLU A 104 -31.356 67.634 41.631 1.00 0.00 ATOM 781 OE2 GLU A 104 -32.353 69.122 40.372 1.00 0.00 ATOM 782 O GLU A 104 -25.815 68.886 42.142 1.00 0.00 ATOM 783 C GLU A 104 -26.296 68.308 41.173 1.00 0.00 ATOM 784 N VAL A 105 -25.861 67.148 40.700 1.00 0.00 ATOM 785 CA VAL A 105 -24.713 66.470 41.308 1.00 0.00 ATOM 786 CB VAL A 105 -24.451 65.099 40.681 1.00 0.00 ATOM 787 CG1 VAL A 105 -23.263 64.402 41.357 1.00 0.00 ATOM 788 CG2 VAL A 105 -25.688 64.215 40.780 1.00 0.00 ATOM 789 O VAL A 105 -22.703 67.554 42.127 1.00 0.00 ATOM 790 C VAL A 105 -23.484 67.367 41.198 1.00 0.00 ATOM 791 N TYR A 106 -23.299 67.948 40.028 1.00 0.00 ATOM 792 CA TYR A 106 -22.209 68.900 39.836 1.00 0.00 ATOM 793 CB TYR A 106 -22.203 69.478 38.417 1.00 0.00 ATOM 794 CG TYR A 106 -21.040 70.394 38.095 1.00 0.00 ATOM 795 CD1 TYR A 106 -21.109 71.728 38.332 1.00 0.00 ATOM 796 CD2 TYR A 106 -19.900 69.910 37.522 1.00 0.00 ATOM 797 CE1 TYR A 106 -20.068 72.546 38.053 1.00 0.00 ATOM 798 CE2 TYR A 106 -18.873 70.710 37.218 1.00 0.00 ATOM 799 CZ TYR A 106 -18.944 72.032 37.491 1.00 0.00 ATOM 800 OH TYR A 106 -17.905 72.839 37.170 1.00 0.00 ATOM 801 O TYR A 106 -21.297 70.312 41.506 1.00 0.00 ATOM 802 C TYR A 106 -22.240 70.045 40.856 1.00 0.00 ATOM 803 N ASN A 107 -23.366 70.696 40.974 1.00 0.00 ATOM 804 CA ASN A 107 -23.518 71.848 41.852 1.00 0.00 ATOM 805 CB ASN A 107 -24.895 72.491 41.697 1.00 0.00 ATOM 806 CG ASN A 107 -25.078 73.072 40.301 1.00 0.00 ATOM 807 ND2 ASN A 107 -26.299 73.067 39.785 1.00 0.00 ATOM 808 OD1 ASN A 107 -24.094 73.523 39.700 1.00 0.00 ATOM 809 O ASN A 107 -22.629 72.157 44.072 1.00 0.00 ATOM 810 C ASN A 107 -23.294 71.460 43.311 1.00 0.00 ATOM 811 N GLU A 108 -23.899 70.333 43.676 1.00 0.00 ATOM 812 CA GLU A 108 -23.756 69.894 45.070 1.00 0.00 ATOM 813 CB GLU A 108 -24.699 68.722 45.357 1.00 0.00 ATOM 814 CG GLU A 108 -24.430 68.029 46.688 1.00 0.00 ATOM 815 CD GLU A 108 -24.632 68.910 47.899 1.00 0.00 ATOM 816 OE1 GLU A 108 -25.357 69.921 47.800 1.00 0.00 ATOM 817 OE2 GLU A 108 -24.098 68.563 48.984 1.00 0.00 ATOM 818 O GLU A 108 -21.767 69.918 46.420 1.00 0.00 ATOM 819 C GLU A 108 -22.308 69.527 45.375 1.00 0.00 ATOM 820 N TRP A 109 -21.654 68.777 44.484 1.00 0.00 ATOM 821 CA TRP A 109 -20.255 68.417 44.773 1.00 0.00 ATOM 822 CB TRP A 109 -19.808 67.336 43.787 1.00 0.00 ATOM 823 CG TRP A 109 -20.300 65.965 44.155 1.00 0.00 ATOM 824 CD1 TRP A 109 -21.015 65.575 45.256 1.00 0.00 ATOM 825 CD2 TRP A 109 -20.086 64.778 43.379 1.00 0.00 ATOM 826 CE2 TRP A 109 -20.697 63.699 44.057 1.00 0.00 ATOM 827 CE3 TRP A 109 -19.439 64.531 42.172 1.00 0.00 ATOM 828 NE1 TRP A 109 -21.251 64.219 45.196 1.00 0.00 ATOM 829 CZ2 TRP A 109 -20.661 62.403 43.544 1.00 0.00 ATOM 830 CZ3 TRP A 109 -19.410 63.239 41.670 1.00 0.00 ATOM 831 CH2 TRP A 109 -20.017 62.179 42.346 1.00 0.00 ATOM 832 O TRP A 109 -18.431 69.786 45.572 1.00 0.00 ATOM 833 C TRP A 109 -19.368 69.644 44.774 1.00 0.00 ATOM 834 N ASP A 110 -19.648 70.599 43.880 1.00 0.00 ATOM 835 CA ASP A 110 -18.904 71.854 43.889 1.00 0.00 ATOM 836 CB ASP A 110 -19.400 72.733 42.753 1.00 0.00 ATOM 837 CG ASP A 110 -18.817 74.129 42.691 1.00 0.00 ATOM 838 OD1 ASP A 110 -17.620 74.283 42.338 1.00 0.00 ATOM 839 OD2 ASP A 110 -19.552 75.089 42.984 1.00 0.00 ATOM 840 O ASP A 110 -18.151 73.013 45.881 1.00 0.00 ATOM 841 C ASP A 110 -19.087 72.523 45.249 1.00 0.00 ATOM 842 N ALA A 111 -20.317 72.553 45.726 1.00 0.00 ATOM 843 CA ALA A 111 -20.637 73.082 47.048 1.00 0.00 ATOM 844 CB ALA A 111 -22.136 72.972 47.264 1.00 0.00 ATOM 845 O ALA A 111 -19.437 72.945 49.122 1.00 0.00 ATOM 846 C ALA A 111 -19.878 72.337 48.146 1.00 0.00 ATOM 847 N GLN A 112 -19.716 71.023 47.994 1.00 0.00 ATOM 848 CA GLN A 112 -19.020 70.245 49.018 1.00 0.00 ATOM 849 CB GLN A 112 -19.198 68.740 48.772 1.00 0.00 ATOM 850 CG GLN A 112 -20.575 68.277 49.262 1.00 0.00 ATOM 851 CD GLN A 112 -20.880 66.833 48.916 1.00 0.00 ATOM 852 OE1 GLN A 112 -20.027 65.939 48.874 1.00 0.00 ATOM 853 NE2 GLN A 112 -22.157 66.549 48.663 1.00 0.00 ATOM 854 O GLN A 112 -16.869 70.575 50.083 1.00 0.00 ATOM 855 C GLN A 112 -17.551 70.604 49.063 1.00 0.00 ATOM 856 N ILE A 113 -17.025 70.972 47.898 1.00 0.00 ATOM 857 CA ILE A 113 -15.602 71.313 47.842 1.00 0.00 ATOM 858 CB ILE A 113 -15.069 71.283 46.398 1.00 0.00 ATOM 859 CG1 ILE A 113 -14.990 69.861 45.854 1.00 0.00 ATOM 860 CG2 ILE A 113 -13.746 72.019 46.303 1.00 0.00 ATOM 861 CD1 ILE A 113 -14.779 69.776 44.353 1.00 0.00 ATOM 862 O ILE A 113 -14.473 72.856 49.263 1.00 0.00 ATOM 863 C ILE A 113 -15.398 72.669 48.476 1.00 0.00 ATOM 864 N ILE A 114 -16.281 73.613 48.145 1.00 0.00 ATOM 865 CA ILE A 114 -16.193 74.940 48.762 1.00 0.00 ATOM 866 CB ILE A 114 -17.245 75.874 48.167 1.00 0.00 ATOM 867 CG1 ILE A 114 -16.823 76.283 46.732 1.00 0.00 ATOM 868 CG2 ILE A 114 -17.536 77.081 49.006 1.00 0.00 ATOM 869 CD1 ILE A 114 -17.871 75.792 45.774 1.00 0.00 ATOM 870 O ILE A 114 -15.681 75.567 51.021 1.00 0.00 ATOM 871 C ILE A 114 -16.353 74.856 50.279 1.00 0.00 ATOM 872 N SER A 115 -17.224 73.961 50.716 1.00 0.00 ATOM 873 CA SER A 115 -17.479 73.738 52.128 1.00 0.00 ATOM 874 CB SER A 115 -18.652 72.804 52.354 1.00 0.00 ATOM 875 OG SER A 115 -19.841 73.386 51.851 1.00 0.00 ATOM 876 O SER A 115 -15.908 73.681 53.891 1.00 0.00 ATOM 877 C SER A 115 -16.215 73.197 52.810 1.00 0.00 ATOM 878 N PHE A 116 -15.531 72.244 52.196 1.00 0.00 ATOM 879 CA PHE A 116 -14.255 71.789 52.730 1.00 0.00 ATOM 880 CB PHE A 116 -13.557 70.835 51.763 1.00 0.00 ATOM 881 CG PHE A 116 -12.254 70.206 52.212 1.00 0.00 ATOM 882 CD1 PHE A 116 -11.027 70.820 52.217 1.00 0.00 ATOM 883 CD2 PHE A 116 -12.295 68.894 52.680 1.00 0.00 ATOM 884 CE1 PHE A 116 -9.863 70.237 52.683 1.00 0.00 ATOM 885 CE2 PHE A 116 -11.151 68.272 53.141 1.00 0.00 ATOM 886 CZ PHE A 116 -9.940 68.932 53.149 1.00 0.00 ATOM 887 O PHE A 116 -12.692 73.045 54.051 1.00 0.00 ATOM 888 C PHE A 116 -13.349 72.986 53.002 1.00 0.00 ATOM 889 N MET A 117 -13.257 73.871 52.009 1.00 0.00 ATOM 890 CA MET A 117 -12.242 74.928 52.109 1.00 0.00 ATOM 891 CB MET A 117 -11.947 75.552 50.725 1.00 0.00 ATOM 892 CG MET A 117 -11.145 74.553 49.889 1.00 0.00 ATOM 893 SD MET A 117 -10.640 75.049 48.213 1.00 0.00 ATOM 894 CE MET A 117 -12.088 75.874 47.671 1.00 0.00 ATOM 895 O MET A 117 -11.784 76.829 53.484 1.00 0.00 ATOM 896 C MET A 117 -12.602 75.965 53.169 1.00 0.00 ATOM 897 N LYS A 118 -13.777 75.893 53.771 1.00 0.00 ATOM 898 CA LYS A 118 -14.110 76.707 54.948 1.00 0.00 ATOM 899 CB LYS A 118 -15.594 76.579 55.288 1.00 0.00 ATOM 900 CG LYS A 118 -16.493 77.266 54.260 1.00 0.00 ATOM 901 CD LYS A 118 -17.965 77.258 54.639 1.00 0.00 ATOM 902 CE LYS A 118 -18.817 77.324 53.378 1.00 0.00 ATOM 903 NZ LYS A 118 -20.272 77.259 53.682 1.00 0.00 ATOM 904 O LYS A 118 -13.098 77.085 57.098 1.00 0.00 ATOM 905 C LYS A 118 -13.225 76.319 56.136 1.00 0.00 ATOM 906 N SER A 119 -12.575 75.166 56.051 1.00 0.00 ATOM 907 CA SER A 119 -11.584 74.733 57.028 1.00 0.00 ATOM 908 CB SER A 119 -11.318 73.251 56.757 1.00 0.00 ATOM 909 OG SER A 119 -10.420 73.088 55.674 1.00 0.00 ATOM 910 O SER A 119 -9.359 75.347 57.752 1.00 0.00 ATOM 911 C SER A 119 -10.296 75.543 56.965 1.00 0.00 ATOM 912 N GLY A 120 -10.201 76.449 55.994 1.00 0.00 ATOM 913 CA GLY A 120 -9.010 77.189 55.654 1.00 0.00 ATOM 914 O GLY A 120 -6.869 76.957 54.597 1.00 0.00 ATOM 915 C GLY A 120 -7.962 76.437 54.866 1.00 0.00 ATOM 916 N ARG A 121 -8.238 75.230 54.451 1.00 0.00 ATOM 917 CA ARG A 121 -7.335 74.315 53.797 1.00 0.00 ATOM 918 CB ARG A 121 -7.033 73.057 54.589 1.00 0.00 ATOM 919 CG ARG A 121 -5.781 72.939 55.425 1.00 0.00 ATOM 920 CD ARG A 121 -5.902 71.680 56.284 1.00 0.00 ATOM 921 NE ARG A 121 -5.124 70.551 55.782 1.00 0.00 ATOM 922 CZ ARG A 121 -4.696 69.519 56.495 1.00 0.00 ATOM 923 NH1 ARG A 121 -4.961 69.429 57.796 1.00 0.00 ATOM 924 NH2 ARG A 121 -3.984 68.547 55.920 1.00 0.00 ATOM 925 O ARG A 121 -9.116 73.567 52.368 1.00 0.00 ATOM 926 C ARG A 121 -7.930 73.833 52.460 1.00 0.00 ATOM 927 N ARG A 122 -7.028 73.725 51.487 1.00 0.00 ATOM 928 CA ARG A 122 -7.413 73.136 50.208 1.00 0.00 ATOM 929 CB ARG A 122 -6.410 73.610 49.150 1.00 0.00 ATOM 930 CG ARG A 122 -6.836 73.358 47.712 1.00 0.00 ATOM 931 CD ARG A 122 -5.952 74.198 46.778 1.00 0.00 ATOM 932 NE ARG A 122 -6.585 74.167 45.458 1.00 0.00 ATOM 933 CZ ARG A 122 -7.407 75.098 45.003 1.00 0.00 ATOM 934 NH1 ARG A 122 -7.773 76.189 45.657 1.00 0.00 ATOM 935 NH2 ARG A 122 -7.891 74.911 43.778 1.00 0.00 ATOM 936 O ARG A 122 -6.391 71.113 50.860 1.00 0.00 ATOM 937 C ARG A 122 -7.383 71.628 50.326 1.00 0.00 ATOM 938 N PRO A 123 -8.344 70.865 49.834 1.00 0.00 ATOM 939 CA PRO A 123 -8.140 69.412 49.851 1.00 0.00 ATOM 940 CB PRO A 123 -9.426 68.878 49.245 1.00 0.00 ATOM 941 CG PRO A 123 -10.076 70.014 48.545 1.00 0.00 ATOM 942 CD PRO A 123 -9.602 71.276 49.201 1.00 0.00 ATOM 943 O PRO A 123 -6.631 69.815 48.039 1.00 0.00 ATOM 944 C PRO A 123 -6.942 69.070 48.975 1.00 0.00 ATOM 945 N ASP A 124 -6.223 67.978 49.216 1.00 0.00 ATOM 946 CA ASP A 124 -5.128 67.642 48.299 1.00 0.00 ATOM 947 CB ASP A 124 -3.959 67.082 49.108 1.00 0.00 ATOM 948 CG ASP A 124 -4.126 65.681 49.641 1.00 0.00 ATOM 949 OD1 ASP A 124 -5.275 65.201 49.621 1.00 0.00 ATOM 950 OD2 ASP A 124 -3.112 65.071 50.070 1.00 0.00 ATOM 951 O ASP A 124 -4.879 66.360 46.255 1.00 0.00 ATOM 952 C ASP A 124 -5.615 66.695 47.204 1.00 0.00 ATOM 953 N HIS A 125 -6.854 66.216 47.316 1.00 0.00 ATOM 954 CA HIS A 125 -7.433 65.311 46.330 1.00 0.00 ATOM 955 CB HIS A 125 -6.678 63.991 46.291 1.00 0.00 ATOM 956 CG HIS A 125 -6.991 62.944 47.296 1.00 0.00 ATOM 957 CD2 HIS A 125 -7.717 61.801 47.223 1.00 0.00 ATOM 958 ND1 HIS A 125 -6.506 62.994 48.584 1.00 0.00 ATOM 959 CE1 HIS A 125 -6.925 61.921 49.241 1.00 0.00 ATOM 960 NE2 HIS A 125 -7.677 61.169 48.452 1.00 0.00 ATOM 961 O HIS A 125 -9.477 65.578 47.583 1.00 0.00 ATOM 962 C HIS A 125 -8.913 65.085 46.604 1.00 0.00 ATOM 963 N ILE A 126 -9.528 64.341 45.698 1.00 0.00 ATOM 964 CA ILE A 126 -10.945 64.052 45.704 1.00 0.00 ATOM 965 CB ILE A 126 -11.681 64.730 44.510 1.00 0.00 ATOM 966 CG1 ILE A 126 -11.598 66.248 44.517 1.00 0.00 ATOM 967 CG2 ILE A 126 -13.125 64.271 44.433 1.00 0.00 ATOM 968 CD1 ILE A 126 -12.081 66.899 43.241 1.00 0.00 ATOM 969 O ILE A 126 -10.547 61.826 44.859 1.00 0.00 ATOM 970 C ILE A 126 -11.193 62.558 45.608 1.00 0.00 ATOM 971 N ASP A 127 -12.168 62.078 46.362 1.00 0.00 ATOM 972 CA ASP A 127 -12.657 60.711 46.258 1.00 0.00 ATOM 973 CB ASP A 127 -11.832 59.756 47.087 1.00 0.00 ATOM 974 CG ASP A 127 -12.050 59.843 48.591 1.00 0.00 ATOM 975 OD1 ASP A 127 -12.774 60.735 49.061 1.00 0.00 ATOM 976 OD2 ASP A 127 -11.460 58.989 49.292 1.00 0.00 ATOM 977 O ASP A 127 -14.644 61.865 46.802 1.00 0.00 ATOM 978 C ASP A 127 -14.130 60.752 46.638 1.00 0.00 ATOM 979 N SER A 128 -14.795 59.610 46.821 1.00 0.00 ATOM 980 CA SER A 128 -16.201 59.682 47.174 1.00 0.00 ATOM 981 CB SER A 128 -17.089 59.619 45.900 1.00 0.00 ATOM 982 OG SER A 128 -16.926 58.236 45.580 1.00 0.00 ATOM 983 O SER A 128 -16.173 57.376 47.915 1.00 0.00 ATOM 984 C SER A 128 -16.643 58.520 48.060 1.00 0.00 ATOM 985 N HIS A 129 -17.572 58.880 48.933 1.00 0.00 ATOM 986 CA HIS A 129 -18.281 57.965 49.810 1.00 0.00 ATOM 987 CB HIS A 129 -19.259 58.748 50.672 1.00 0.00 ATOM 988 CG HIS A 129 -19.973 57.957 51.717 1.00 0.00 ATOM 989 CD2 HIS A 129 -21.290 57.698 51.888 1.00 0.00 ATOM 990 ND1 HIS A 129 -19.321 57.336 52.758 1.00 0.00 ATOM 991 CE1 HIS A 129 -20.206 56.716 53.528 1.00 0.00 ATOM 992 NE2 HIS A 129 -21.411 56.920 53.021 1.00 0.00 ATOM 993 O HIS A 129 -19.687 57.356 48.004 1.00 0.00 ATOM 994 C HIS A 129 -19.033 56.945 48.972 1.00 0.00 ATOM 995 N HIS A 130 -18.914 55.678 49.314 1.00 0.00 ATOM 996 CA HIS A 130 -19.566 54.607 48.574 1.00 0.00 ATOM 997 CB HIS A 130 -21.084 54.820 48.578 1.00 0.00 ATOM 998 CG HIS A 130 -21.679 54.603 49.947 1.00 0.00 ATOM 999 CD2 HIS A 130 -21.134 54.147 51.104 1.00 0.00 ATOM 1000 ND1 HIS A 130 -22.994 54.880 50.233 1.00 0.00 ATOM 1001 CE1 HIS A 130 -23.237 54.601 51.501 1.00 0.00 ATOM 1002 NE2 HIS A 130 -22.124 54.146 52.066 1.00 0.00 ATOM 1003 O HIS A 130 -19.757 53.915 46.302 1.00 0.00 ATOM 1004 C HIS A 130 -19.068 54.523 47.132 1.00 0.00 ATOM 1005 N ASN A 131 -17.916 55.131 46.864 1.00 0.00 ATOM 1006 CA ASN A 131 -17.355 55.179 45.515 1.00 0.00 ATOM 1007 CB ASN A 131 -16.725 53.844 45.112 1.00 0.00 ATOM 1008 CG ASN A 131 -15.677 54.014 44.024 1.00 0.00 ATOM 1009 ND2 ASN A 131 -15.545 52.999 43.181 1.00 0.00 ATOM 1010 OD1 ASN A 131 -15.005 55.039 43.954 1.00 0.00 ATOM 1011 O ASN A 131 -18.416 54.940 43.390 1.00 0.00 ATOM 1012 C ASN A 131 -18.399 55.556 44.469 1.00 0.00 ATOM 1013 N VAL A 132 -19.253 56.537 44.759 1.00 0.00 ATOM 1014 CA VAL A 132 -20.304 56.910 43.819 1.00 0.00 ATOM 1015 CB VAL A 132 -21.364 57.813 44.508 1.00 0.00 ATOM 1016 CG1 VAL A 132 -22.136 56.959 45.523 1.00 0.00 ATOM 1017 CG2 VAL A 132 -20.771 59.052 45.142 1.00 0.00 ATOM 1018 O VAL A 132 -20.591 57.505 41.545 1.00 0.00 ATOM 1019 C VAL A 132 -19.825 57.570 42.526 1.00 0.00 ATOM 1020 N HIS A 133 -18.700 58.202 42.351 1.00 0.00 ATOM 1021 CA HIS A 133 -17.955 58.729 41.237 1.00 0.00 ATOM 1022 CB HIS A 133 -16.773 59.587 41.657 1.00 0.00 ATOM 1023 CG HIS A 133 -15.422 59.078 41.945 1.00 0.00 ATOM 1024 CD2 HIS A 133 -14.266 59.119 41.221 1.00 0.00 ATOM 1025 ND1 HIS A 133 -15.060 58.461 43.121 1.00 0.00 ATOM 1026 CE1 HIS A 133 -13.785 58.131 43.103 1.00 0.00 ATOM 1027 NE2 HIS A 133 -13.264 58.522 41.951 1.00 0.00 ATOM 1028 O HIS A 133 -16.993 57.890 39.224 1.00 0.00 ATOM 1029 C HIS A 133 -17.457 57.606 40.330 1.00 0.00 ATOM 1030 N GLY A 134 -17.558 56.364 40.793 1.00 0.00 ATOM 1031 CA GLY A 134 -17.220 55.222 39.963 1.00 0.00 ATOM 1032 O GLY A 134 -18.315 53.202 39.242 1.00 0.00 ATOM 1033 C GLY A 134 -18.419 54.332 39.715 1.00 0.00 ATOM 1034 N LYS A 135 -19.614 54.820 40.025 1.00 0.00 ATOM 1035 CA LYS A 135 -20.806 53.993 39.853 1.00 0.00 ATOM 1036 CB LYS A 135 -21.997 54.634 40.554 1.00 0.00 ATOM 1037 CG LYS A 135 -23.324 53.899 40.413 1.00 0.00 ATOM 1038 CD LYS A 135 -23.184 52.416 40.685 1.00 0.00 ATOM 1039 CE LYS A 135 -24.340 51.864 41.511 1.00 0.00 ATOM 1040 NZ LYS A 135 -23.951 50.514 42.044 1.00 0.00 ATOM 1041 O LYS A 135 -21.682 52.757 37.981 1.00 0.00 ATOM 1042 C LYS A 135 -21.151 53.800 38.370 1.00 0.00 ATOM 1043 N ASN A 136 -20.846 54.825 37.601 1.00 0.00 ATOM 1044 CA ASN A 136 -21.027 54.890 36.164 1.00 0.00 ATOM 1045 CB ASN A 136 -22.505 54.968 35.773 1.00 0.00 ATOM 1046 CG ASN A 136 -23.219 56.241 36.091 1.00 0.00 ATOM 1047 ND2 ASN A 136 -24.478 56.152 36.509 1.00 0.00 ATOM 1048 OD1 ASN A 136 -22.702 57.353 35.983 1.00 0.00 ATOM 1049 O ASN A 136 -19.851 56.999 36.334 1.00 0.00 ATOM 1050 C ASN A 136 -20.243 56.076 35.611 1.00 0.00 ATOM 1051 N LYS A 137 -20.005 56.064 34.314 1.00 0.00 ATOM 1052 CA LYS A 137 -19.176 57.024 33.614 1.00 0.00 ATOM 1053 CB LYS A 137 -19.081 56.562 32.141 1.00 0.00 ATOM 1054 CG LYS A 137 -17.903 55.633 31.900 1.00 0.00 ATOM 1055 CD LYS A 137 -18.234 54.543 30.904 1.00 0.00 ATOM 1056 CE LYS A 137 -17.183 53.457 30.777 1.00 0.00 ATOM 1057 NZ LYS A 137 -16.859 53.238 29.336 1.00 0.00 ATOM 1058 O LYS A 137 -18.850 59.381 33.545 1.00 0.00 ATOM 1059 C LYS A 137 -19.663 58.458 33.666 1.00 0.00 ATOM 1060 N LYS A 138 -20.970 58.638 33.827 1.00 0.00 ATOM 1061 CA LYS A 138 -21.593 59.938 33.873 1.00 0.00 ATOM 1062 CB LYS A 138 -23.113 59.848 33.765 1.00 0.00 ATOM 1063 CG LYS A 138 -23.668 59.411 32.426 1.00 0.00 ATOM 1064 CD LYS A 138 -24.887 58.523 32.628 1.00 0.00 ATOM 1065 O LYS A 138 -20.966 61.818 35.245 1.00 0.00 ATOM 1066 C LYS A 138 -21.284 60.637 35.200 1.00 0.00 ATOM 1067 N LEU A 139 -21.429 59.867 36.279 1.00 0.00 ATOM 1068 CA LEU A 139 -21.052 60.368 37.605 1.00 0.00 ATOM 1069 CB LEU A 139 -21.512 59.385 38.679 1.00 0.00 ATOM 1070 CG LEU A 139 -23.015 59.431 39.003 1.00 0.00 ATOM 1071 CD1 LEU A 139 -23.463 58.265 39.874 1.00 0.00 ATOM 1072 CD2 LEU A 139 -23.379 60.737 39.688 1.00 0.00 ATOM 1073 O LEU A 139 -19.120 61.730 38.017 1.00 0.00 ATOM 1074 C LEU A 139 -19.553 60.640 37.648 1.00 0.00 ATOM 1075 N LEU A 140 -18.733 59.672 37.265 1.00 0.00 ATOM 1076 CA LEU A 140 -17.313 59.880 37.043 1.00 0.00 ATOM 1077 CB LEU A 140 -16.744 58.719 36.200 1.00 0.00 ATOM 1078 CG LEU A 140 -15.235 58.737 35.976 1.00 0.00 ATOM 1079 CD1 LEU A 140 -14.494 58.968 37.288 1.00 0.00 ATOM 1080 CD2 LEU A 140 -14.778 57.437 35.324 1.00 0.00 ATOM 1081 O LEU A 140 -16.102 61.941 36.620 1.00 0.00 ATOM 1082 C LEU A 140 -16.985 61.153 36.284 1.00 0.00 ATOM 1083 N GLY A 141 -17.702 61.342 35.174 1.00 0.00 ATOM 1084 CA GLY A 141 -17.545 62.531 34.358 1.00 0.00 ATOM 1085 O GLY A 141 -17.012 64.783 34.893 1.00 0.00 ATOM 1086 C GLY A 141 -17.704 63.810 35.159 1.00 0.00 ATOM 1087 N VAL A 142 -18.617 63.801 36.131 1.00 0.00 ATOM 1088 CA VAL A 142 -18.874 64.979 36.940 1.00 0.00 ATOM 1089 CB VAL A 142 -20.187 64.856 37.717 1.00 0.00 ATOM 1090 CG1 VAL A 142 -20.333 65.995 38.723 1.00 0.00 ATOM 1091 CG2 VAL A 142 -21.384 64.876 36.771 1.00 0.00 ATOM 1092 O VAL A 142 -17.358 66.368 38.094 1.00 0.00 ATOM 1093 C VAL A 142 -17.716 65.200 37.919 1.00 0.00 ATOM 1094 N ALA A 143 -17.222 64.096 38.474 1.00 0.00 ATOM 1095 CA ALA A 143 -16.049 64.170 39.336 1.00 0.00 ATOM 1096 CB ALA A 143 -15.716 62.829 39.966 1.00 0.00 ATOM 1097 O ALA A 143 -14.116 65.555 39.082 1.00 0.00 ATOM 1098 C ALA A 143 -14.849 64.711 38.568 1.00 0.00 ATOM 1099 N LEU A 144 -14.599 64.233 37.354 1.00 0.00 ATOM 1100 CA LEU A 144 -13.435 64.679 36.594 1.00 0.00 ATOM 1101 CB LEU A 144 -13.249 63.846 35.315 1.00 0.00 ATOM 1102 CG LEU A 144 -12.784 62.404 35.608 1.00 0.00 ATOM 1103 CD1 LEU A 144 -13.245 61.476 34.495 1.00 0.00 ATOM 1104 CD2 LEU A 144 -11.289 62.356 35.828 1.00 0.00 ATOM 1105 O LEU A 144 -12.560 66.905 36.251 1.00 0.00 ATOM 1106 C LEU A 144 -13.538 66.144 36.235 1.00 0.00 ATOM 1107 N ALA A 145 -14.765 66.594 35.932 1.00 0.00 ATOM 1108 CA ALA A 145 -14.969 68.003 35.630 1.00 0.00 ATOM 1109 CB ALA A 145 -16.396 68.277 35.187 1.00 0.00 ATOM 1110 O ALA A 145 -13.969 69.912 36.669 1.00 0.00 ATOM 1111 C ALA A 145 -14.595 68.868 36.838 1.00 0.00 ATOM 1112 N LEU A 146 -14.954 68.446 38.054 1.00 0.00 ATOM 1113 CA LEU A 146 -14.584 69.262 39.233 1.00 0.00 ATOM 1114 CB LEU A 146 -15.516 68.869 40.379 1.00 0.00 ATOM 1115 CG LEU A 146 -16.968 69.363 40.230 1.00 0.00 ATOM 1116 CD1 LEU A 146 -17.944 68.508 41.017 1.00 0.00 ATOM 1117 CD2 LEU A 146 -17.035 70.821 40.622 1.00 0.00 ATOM 1118 O LEU A 146 -12.447 70.049 40.082 1.00 0.00 ATOM 1119 C LEU A 146 -13.102 69.128 39.562 1.00 0.00 ATOM 1120 N ALA A 147 -12.498 67.998 39.250 1.00 0.00 ATOM 1121 CA ALA A 147 -11.066 67.777 39.404 1.00 0.00 ATOM 1122 CB ALA A 147 -10.642 66.370 39.034 1.00 0.00 ATOM 1123 O ALA A 147 -9.313 69.381 38.984 1.00 0.00 ATOM 1124 C ALA A 147 -10.303 68.792 38.547 1.00 0.00 ATOM 1125 N ARG A 148 -10.814 68.969 37.312 1.00 0.00 ATOM 1126 CA ARG A 148 -10.134 69.913 36.407 1.00 0.00 ATOM 1127 CB ARG A 148 -10.591 69.723 34.953 1.00 0.00 ATOM 1128 CG ARG A 148 -10.489 68.294 34.476 1.00 0.00 ATOM 1129 CD ARG A 148 -11.063 68.031 33.092 1.00 0.00 ATOM 1130 NE ARG A 148 -10.556 66.738 32.644 1.00 0.00 ATOM 1131 CZ ARG A 148 -11.183 65.651 32.265 1.00 0.00 ATOM 1132 NH1 ARG A 148 -12.508 65.580 32.224 1.00 0.00 ATOM 1133 NH2 ARG A 148 -10.464 64.593 31.912 1.00 0.00 ATOM 1134 O ARG A 148 -9.409 72.135 36.864 1.00 0.00 ATOM 1135 C ARG A 148 -10.345 71.340 36.892 1.00 0.00 ATOM 1136 N LYS A 149 -11.542 71.653 37.361 1.00 0.00 ATOM 1137 CA LYS A 149 -11.944 72.976 37.805 1.00 0.00 ATOM 1138 CB LYS A 149 -13.429 73.035 38.134 1.00 0.00 ATOM 1139 CG LYS A 149 -13.880 74.365 38.707 1.00 0.00 ATOM 1140 CD LYS A 149 -15.251 74.234 39.359 1.00 0.00 ATOM 1141 CE LYS A 149 -15.817 75.585 39.751 1.00 0.00 ATOM 1142 NZ LYS A 149 -17.310 75.593 39.728 1.00 0.00 ATOM 1143 O LYS A 149 -10.744 74.575 39.106 1.00 0.00 ATOM 1144 C LYS A 149 -11.128 73.404 39.026 1.00 0.00 ATOM 1145 N TYR A 150 -10.891 72.438 39.917 1.00 0.00 ATOM 1146 CA TYR A 150 -10.118 72.808 41.104 1.00 0.00 ATOM 1147 CB TYR A 150 -10.813 72.288 42.380 1.00 0.00 ATOM 1148 CG TYR A 150 -12.083 73.048 42.660 1.00 0.00 ATOM 1149 CD1 TYR A 150 -12.038 74.250 43.363 1.00 0.00 ATOM 1150 CD2 TYR A 150 -13.322 72.604 42.247 1.00 0.00 ATOM 1151 CE1 TYR A 150 -13.192 74.964 43.629 1.00 0.00 ATOM 1152 CE2 TYR A 150 -14.475 73.300 42.502 1.00 0.00 ATOM 1153 CZ TYR A 150 -14.411 74.487 43.202 1.00 0.00 ATOM 1154 OH TYR A 150 -15.579 75.170 43.448 1.00 0.00 ATOM 1155 O TYR A 150 -7.878 72.589 41.893 1.00 0.00 ATOM 1156 C TYR A 150 -8.690 72.311 41.010 1.00 0.00 ATOM 1157 N GLN A 151 -8.357 71.597 39.929 1.00 0.00 ATOM 1158 CA GLN A 151 -6.970 71.197 39.731 1.00 0.00 ATOM 1159 CB GLN A 151 -6.041 72.406 39.609 1.00 0.00 ATOM 1160 CG GLN A 151 -6.105 73.101 38.264 1.00 0.00 ATOM 1161 CD GLN A 151 -5.775 72.192 37.092 1.00 0.00 ATOM 1162 OE1 GLN A 151 -4.618 71.843 36.857 1.00 0.00 ATOM 1163 NE2 GLN A 151 -6.822 71.794 36.379 1.00 0.00 ATOM 1164 O GLN A 151 -5.477 70.575 41.500 1.00 0.00 ATOM 1165 C GLN A 151 -6.484 70.299 40.863 1.00 0.00 ATOM 1166 N LEU A 152 -7.242 69.246 41.073 1.00 0.00 ATOM 1167 CA LEU A 152 -6.979 68.228 42.073 1.00 0.00 ATOM 1168 CB LEU A 152 -8.086 68.232 43.137 1.00 0.00 ATOM 1169 CG LEU A 152 -8.189 69.551 43.905 1.00 0.00 ATOM 1170 CD1 LEU A 152 -9.502 69.594 44.667 1.00 0.00 ATOM 1171 CD2 LEU A 152 -6.981 69.723 44.813 1.00 0.00 ATOM 1172 O LEU A 152 -7.803 66.598 40.575 1.00 0.00 ATOM 1173 C LEU A 152 -6.968 66.840 41.454 1.00 0.00 ATOM 1174 N PRO A 153 -6.053 65.993 41.903 1.00 0.00 ATOM 1175 CA PRO A 153 -6.053 64.597 41.466 1.00 0.00 ATOM 1176 CB PRO A 153 -4.761 64.023 42.018 1.00 0.00 ATOM 1177 CG PRO A 153 -4.429 64.921 43.165 1.00 0.00 ATOM 1178 CD PRO A 153 -4.946 66.283 42.827 1.00 0.00 ATOM 1179 O PRO A 153 -7.810 64.374 43.098 1.00 0.00 ATOM 1180 C PRO A 153 -7.275 63.908 42.082 1.00 0.00 ATOM 1181 N LEU A 154 -7.678 62.821 41.455 1.00 0.00 ATOM 1182 CA LEU A 154 -8.903 62.120 41.774 1.00 0.00 ATOM 1183 CB LEU A 154 -9.895 62.330 40.611 1.00 0.00 ATOM 1184 CG LEU A 154 -11.180 61.533 40.662 1.00 0.00 ATOM 1185 CD1 LEU A 154 -12.038 62.001 41.847 1.00 0.00 ATOM 1186 CD2 LEU A 154 -11.994 61.666 39.384 1.00 0.00 ATOM 1187 O LEU A 154 -7.921 60.033 41.167 1.00 0.00 ATOM 1188 C LEU A 154 -8.659 60.638 41.958 1.00 0.00 ATOM 1189 N ARG A 155 -9.279 60.040 42.966 1.00 0.00 ATOM 1190 CA ARG A 155 -9.134 58.628 43.231 1.00 0.00 ATOM 1191 CB ARG A 155 -10.065 58.187 44.372 1.00 0.00 ATOM 1192 CG ARG A 155 -10.111 56.680 44.539 1.00 0.00 ATOM 1193 CD ARG A 155 -11.028 56.307 45.697 1.00 0.00 ATOM 1194 NE ARG A 155 -10.263 56.314 46.950 1.00 0.00 ATOM 1195 CZ ARG A 155 -10.824 56.049 48.134 1.00 0.00 ATOM 1196 NH1 ARG A 155 -12.111 55.780 48.218 1.00 0.00 ATOM 1197 NH2 ARG A 155 -10.104 56.055 49.258 1.00 0.00 ATOM 1198 O ARG A 155 -10.477 58.122 41.325 1.00 0.00 ATOM 1199 C ARG A 155 -9.478 57.803 41.974 1.00 0.00 ATOM 1200 N ASN A 156 -8.683 56.785 41.710 1.00 0.00 ATOM 1201 CA ASN A 156 -8.980 55.855 40.609 1.00 0.00 ATOM 1202 CB ASN A 156 -7.828 54.888 40.468 1.00 0.00 ATOM 1203 CG ASN A 156 -8.001 53.756 39.489 1.00 0.00 ATOM 1204 ND2 ASN A 156 -6.851 53.325 38.977 1.00 0.00 ATOM 1205 OD1 ASN A 156 -9.110 53.295 39.221 1.00 0.00 ATOM 1206 O ASN A 156 -10.473 54.450 41.879 1.00 0.00 ATOM 1207 C ASN A 156 -10.310 55.178 40.896 1.00 0.00 ATOM 1208 N ALA A 157 -11.275 55.391 40.011 1.00 0.00 ATOM 1209 CA ALA A 157 -12.609 54.855 40.196 1.00 0.00 ATOM 1210 CB ALA A 157 -13.558 55.731 39.357 1.00 0.00 ATOM 1211 O ALA A 157 -13.936 52.882 40.090 1.00 0.00 ATOM 1212 C ALA A 157 -12.830 53.404 39.827 1.00 0.00 ATOM 1213 N SER A 158 -11.887 52.680 39.216 1.00 0.00 ATOM 1214 CA SER A 158 -12.251 51.304 38.813 1.00 0.00 ATOM 1215 CB SER A 158 -11.500 50.939 37.520 1.00 0.00 ATOM 1216 OG SER A 158 -11.217 49.548 37.394 1.00 0.00 ATOM 1217 O SER A 158 -10.847 50.150 40.337 1.00 0.00 ATOM 1218 C SER A 158 -11.976 50.254 39.871 1.00 0.00 ATOM 1219 N ARG A 159 -12.954 49.424 40.245 1.00 0.00 ATOM 1220 CA ARG A 159 -12.668 48.317 41.175 1.00 0.00 ATOM 1221 CB ARG A 159 -13.398 48.501 42.505 1.00 0.00 ATOM 1222 CG ARG A 159 -13.296 49.918 43.049 1.00 0.00 ATOM 1223 CD ARG A 159 -13.775 50.025 44.480 1.00 0.00 ATOM 1224 NE ARG A 159 -13.379 51.298 45.081 1.00 0.00 ATOM 1225 CZ ARG A 159 -13.750 51.685 46.295 1.00 0.00 ATOM 1226 NH1 ARG A 159 -14.523 50.906 47.045 1.00 0.00 ATOM 1227 NH2 ARG A 159 -13.367 52.848 46.799 1.00 0.00 ATOM 1228 O ARG A 159 -13.400 46.027 41.318 1.00 0.00 ATOM 1229 C ARG A 159 -13.068 46.965 40.587 1.00 0.00 ATOM 1230 N SER A 160 -13.037 46.891 39.266 1.00 0.00 ATOM 1231 CA SER A 160 -13.494 45.725 38.506 1.00 0.00 ATOM 1232 CB SER A 160 -15.019 45.735 38.416 1.00 0.00 ATOM 1233 OG SER A 160 -15.599 46.033 37.171 1.00 0.00 ATOM 1234 O SER A 160 -12.410 46.733 36.625 1.00 0.00 ATOM 1235 C SER A 160 -12.815 45.694 37.145 1.00 0.00 ATOM 1236 N ILE A 161 -12.643 44.520 36.521 1.00 0.00 ATOM 1237 CA ILE A 161 -11.995 44.598 35.206 1.00 0.00 ATOM 1238 CB ILE A 161 -11.646 43.244 34.565 1.00 0.00 ATOM 1239 CG1 ILE A 161 -11.903 43.285 33.040 1.00 0.00 ATOM 1240 O ILE A 161 -12.467 46.110 33.394 1.00 0.00 ATOM 1241 C ILE A 161 -12.920 45.336 34.238 1.00 0.00 ATOM 1242 N GLU A 162 -14.216 45.077 34.389 1.00 0.00 ATOM 1243 CA GLU A 162 -15.235 45.647 33.527 1.00 0.00 ATOM 1244 CB GLU A 162 -16.635 45.234 33.998 1.00 0.00 ATOM 1245 O GLU A 162 -15.595 47.722 32.423 1.00 0.00 ATOM 1246 C GLU A 162 -15.182 47.163 33.442 1.00 0.00 ATOM 1247 N THR A 163 -14.684 47.843 34.472 1.00 0.00 ATOM 1248 CA THR A 163 -14.686 49.315 34.446 1.00 0.00 ATOM 1249 CB THR A 163 -15.350 49.889 35.702 1.00 0.00 ATOM 1250 CG2 THR A 163 -16.754 49.345 35.912 1.00 0.00 ATOM 1251 OG1 THR A 163 -14.707 49.425 36.889 1.00 0.00 ATOM 1252 O THR A 163 -12.961 51.021 34.498 1.00 0.00 ATOM 1253 C THR A 163 -13.272 49.855 34.269 1.00 0.00 ATOM 1254 N LYS A 164 -12.352 48.990 33.826 1.00 0.00 ATOM 1255 CA LYS A 164 -10.978 49.441 33.626 1.00 0.00 ATOM 1256 CB LYS A 164 -10.108 48.276 33.155 1.00 0.00 ATOM 1257 O LYS A 164 -10.004 51.432 32.703 1.00 0.00 ATOM 1258 C LYS A 164 -10.913 50.601 32.638 1.00 0.00 ATOM 1259 N ASP A 165 -11.893 50.662 31.733 1.00 0.00 ATOM 1260 CA ASP A 165 -11.885 51.711 30.720 1.00 0.00 ATOM 1261 CB ASP A 165 -12.800 51.313 29.572 1.00 0.00 ATOM 1262 CG ASP A 165 -14.284 51.418 29.812 1.00 0.00 ATOM 1263 OD1 ASP A 165 -14.753 51.248 30.955 1.00 0.00 ATOM 1264 OD2 ASP A 165 -15.000 51.669 28.812 1.00 0.00 ATOM 1265 O ASP A 165 -12.207 54.105 30.638 1.00 0.00 ATOM 1266 C ASP A 165 -12.244 53.070 31.304 1.00 0.00 ATOM 1267 N TYR A 166 -12.594 53.097 32.587 1.00 0.00 ATOM 1268 CA TYR A 166 -12.871 54.395 33.225 1.00 0.00 ATOM 1269 CB TYR A 166 -13.250 54.187 34.683 1.00 0.00 ATOM 1270 CG TYR A 166 -14.673 53.823 35.010 1.00 0.00 ATOM 1271 CD1 TYR A 166 -15.695 53.768 34.078 1.00 0.00 ATOM 1272 CD2 TYR A 166 -15.012 53.522 36.331 1.00 0.00 ATOM 1273 CE1 TYR A 166 -16.989 53.426 34.430 1.00 0.00 ATOM 1274 CE2 TYR A 166 -16.301 53.186 36.695 1.00 0.00 ATOM 1275 CZ TYR A 166 -17.295 53.141 35.741 1.00 0.00 ATOM 1276 OH TYR A 166 -18.584 52.808 36.082 1.00 0.00 ATOM 1277 O TYR A 166 -11.736 56.517 32.928 1.00 0.00 ATOM 1278 C TYR A 166 -11.655 55.310 33.136 1.00 0.00 ATOM 1279 N LEU A 167 -10.489 54.689 33.315 1.00 0.00 ATOM 1280 CA LEU A 167 -9.261 55.467 33.437 1.00 0.00 ATOM 1281 CB LEU A 167 -8.123 54.569 33.941 1.00 0.00 ATOM 1282 CG LEU A 167 -7.860 54.846 35.447 1.00 0.00 ATOM 1283 CD1 LEU A 167 -8.905 54.105 36.261 1.00 0.00 ATOM 1284 CD2 LEU A 167 -6.444 54.475 35.843 1.00 0.00 ATOM 1285 O LEU A 167 -8.181 57.163 32.121 1.00 0.00 ATOM 1286 C LEU A 167 -8.889 56.148 32.145 1.00 0.00 ATOM 1287 N GLU A 168 -9.409 55.643 31.021 1.00 0.00 ATOM 1288 CA GLU A 168 -9.048 56.368 29.784 1.00 0.00 ATOM 1289 CB GLU A 168 -9.403 55.594 28.534 1.00 0.00 ATOM 1290 CG GLU A 168 -10.716 54.861 28.396 1.00 0.00 ATOM 1291 CD GLU A 168 -10.595 53.751 27.376 1.00 0.00 ATOM 1292 OE1 GLU A 168 -9.616 52.980 27.453 1.00 0.00 ATOM 1293 OE2 GLU A 168 -11.478 53.645 26.496 1.00 0.00 ATOM 1294 O GLU A 168 -9.297 58.620 28.956 1.00 0.00 ATOM 1295 C GLU A 168 -9.656 57.768 29.775 1.00 0.00 ATOM 1296 N LEU A 169 -10.620 58.045 30.641 1.00 0.00 ATOM 1297 CA LEU A 169 -11.270 59.323 30.718 1.00 0.00 ATOM 1298 CB LEU A 169 -12.679 59.210 31.325 1.00 0.00 ATOM 1299 CG LEU A 169 -13.471 57.984 30.837 1.00 0.00 ATOM 1300 CD1 LEU A 169 -14.811 57.905 31.540 1.00 0.00 ATOM 1301 CD2 LEU A 169 -13.599 58.038 29.320 1.00 0.00 ATOM 1302 O LEU A 169 -10.903 61.517 31.528 1.00 0.00 ATOM 1303 C LEU A 169 -10.539 60.343 31.578 1.00 0.00 ATOM 1304 N TYR A 170 -9.566 59.868 32.353 1.00 0.00 ATOM 1305 CA TYR A 170 -8.921 60.785 33.296 1.00 0.00 ATOM 1306 CB TYR A 170 -8.070 59.992 34.307 1.00 0.00 ATOM 1307 CG TYR A 170 -8.869 59.429 35.474 1.00 0.00 ATOM 1308 CD1 TYR A 170 -9.851 58.475 35.267 1.00 0.00 ATOM 1309 CD2 TYR A 170 -8.624 59.876 36.770 1.00 0.00 ATOM 1310 CE1 TYR A 170 -10.584 57.961 36.321 1.00 0.00 ATOM 1311 CE2 TYR A 170 -9.348 59.371 37.842 1.00 0.00 ATOM 1312 CZ TYR A 170 -10.316 58.422 37.604 1.00 0.00 ATOM 1313 OH TYR A 170 -11.055 57.895 38.629 1.00 0.00 ATOM 1314 O TYR A 170 -8.144 63.013 32.893 1.00 0.00 ATOM 1315 C TYR A 170 -8.047 61.822 32.604 1.00 0.00 ATOM 1316 N GLN A 171 -7.170 61.361 31.715 1.00 0.00 ATOM 1317 CA GLN A 171 -6.348 62.253 30.890 1.00 0.00 ATOM 1318 CB GLN A 171 -7.296 63.008 29.942 1.00 0.00 ATOM 1319 CG GLN A 171 -7.787 62.047 28.866 1.00 0.00 ATOM 1320 CD GLN A 171 -9.030 62.453 28.117 1.00 0.00 ATOM 1321 OE1 GLN A 171 -9.447 63.602 28.038 1.00 0.00 ATOM 1322 NE2 GLN A 171 -9.656 61.435 27.520 1.00 0.00 ATOM 1323 O GLN A 171 -4.456 62.681 32.235 1.00 0.00 ATOM 1324 C GLN A 171 -5.462 63.176 31.709 1.00 0.00 ATOM 1325 N ASP A 172 -5.795 64.449 31.796 1.00 0.00 ATOM 1326 CA ASP A 172 -5.052 65.443 32.542 1.00 0.00 ATOM 1327 CB ASP A 172 -5.474 66.851 32.133 1.00 0.00 ATOM 1328 CG ASP A 172 -6.962 67.122 32.219 1.00 0.00 ATOM 1329 OD1 ASP A 172 -7.783 66.190 32.197 1.00 0.00 ATOM 1330 OD2 ASP A 172 -7.339 68.313 32.300 1.00 0.00 ATOM 1331 O ASP A 172 -4.387 65.800 34.814 1.00 0.00 ATOM 1332 C ASP A 172 -5.232 65.300 34.059 1.00 0.00 ATOM 1333 N VAL A 173 -6.313 64.667 34.471 1.00 0.00 ATOM 1334 CA VAL A 173 -6.579 64.443 35.897 1.00 0.00 ATOM 1335 CB VAL A 173 -8.067 64.212 36.173 1.00 0.00 ATOM 1336 CG1 VAL A 173 -8.295 63.973 37.665 1.00 0.00 ATOM 1337 CG2 VAL A 173 -8.925 65.382 35.716 1.00 0.00 ATOM 1338 O VAL A 173 -5.965 62.087 36.139 1.00 0.00 ATOM 1339 C VAL A 173 -5.779 63.263 36.445 1.00 0.00 ATOM 1340 N ARG A 174 -4.827 63.567 37.325 1.00 0.00 ATOM 1341 CA ARG A 174 -3.934 62.562 37.877 1.00 0.00 ATOM 1342 CB ARG A 174 -2.785 63.323 38.564 1.00 0.00 ATOM 1343 CG ARG A 174 -1.896 64.018 37.538 1.00 0.00 ATOM 1344 CD ARG A 174 -0.596 64.548 38.094 1.00 0.00 ATOM 1345 NE ARG A 174 0.440 63.527 38.225 1.00 0.00 ATOM 1346 CZ ARG A 174 1.577 63.701 38.881 1.00 0.00 ATOM 1347 NH1 ARG A 174 1.831 64.857 39.469 1.00 0.00 ATOM 1348 NH2 ARG A 174 2.426 62.688 38.920 1.00 0.00 ATOM 1349 O ARG A 174 -5.549 62.004 39.542 1.00 0.00 ATOM 1350 C ARG A 174 -4.606 61.604 38.848 1.00 0.00 ATOM 1351 N THR A 175 -4.130 60.359 38.898 1.00 0.00 ATOM 1352 CA THR A 175 -4.802 59.334 39.690 1.00 0.00 ATOM 1353 CB THR A 175 -6.071 58.837 38.972 1.00 0.00 ATOM 1354 CG2 THR A 175 -5.666 58.078 37.696 1.00 0.00 ATOM 1355 OG1 THR A 175 -6.813 57.908 39.761 1.00 0.00 ATOM 1356 O THR A 175 -2.910 57.966 39.151 1.00 0.00 ATOM 1357 C THR A 175 -3.842 58.193 39.943 1.00 0.00 ATOM 1358 N PRO A 176 -3.996 57.468 41.045 1.00 0.00 ATOM 1359 CA PRO A 176 -3.196 56.251 41.220 1.00 0.00 ATOM 1360 CB PRO A 176 -3.720 55.669 42.527 1.00 0.00 ATOM 1361 CG PRO A 176 -4.339 56.819 43.255 1.00 0.00 ATOM 1362 CD PRO A 176 -4.864 57.755 42.202 1.00 0.00 ATOM 1363 O PRO A 176 -4.506 55.166 39.488 1.00 0.00 ATOM 1364 C PRO A 176 -3.423 55.268 40.075 1.00 0.00 ATOM 1365 N ASP A 177 -2.350 54.539 39.764 1.00 0.00 ATOM 1366 CA ASP A 177 -2.436 53.537 38.695 1.00 0.00 ATOM 1367 CB ASP A 177 -1.014 53.046 38.377 1.00 0.00 ATOM 1368 CG ASP A 177 -0.171 54.234 37.928 1.00 0.00 ATOM 1369 OD1 ASP A 177 -0.709 55.063 37.157 1.00 0.00 ATOM 1370 OD2 ASP A 177 0.995 54.353 38.344 1.00 0.00 ATOM 1371 O ASP A 177 -3.956 51.763 38.207 1.00 0.00 ATOM 1372 C ASP A 177 -3.349 52.389 39.071 1.00 0.00 ATOM 1373 N GLU A 178 -3.442 52.093 40.375 1.00 0.00 ATOM 1374 CA GLU A 178 -4.299 50.996 40.814 1.00 0.00 ATOM 1375 CB GLU A 178 -3.454 49.733 41.014 1.00 0.00 ATOM 1376 O GLU A 178 -4.391 51.827 43.020 1.00 0.00 ATOM 1377 C GLU A 178 -5.042 51.319 42.110 1.00 0.00 ATOM 1378 N MET A 179 -6.331 51.041 42.170 1.00 0.00 ATOM 1379 CA MET A 179 -7.188 51.106 43.341 1.00 0.00 ATOM 1380 CB MET A 179 -8.586 51.618 42.987 1.00 0.00 ATOM 1381 CG MET A 179 -9.559 51.712 44.149 1.00 0.00 ATOM 1382 SD MET A 179 -9.221 53.124 45.238 1.00 0.00 ATOM 1383 CE MET A 179 -8.622 52.268 46.683 1.00 0.00 ATOM 1384 O MET A 179 -7.852 48.806 43.413 1.00 0.00 ATOM 1385 C MET A 179 -7.245 49.719 43.971 1.00 0.00 ATOM 1386 N LEU A 180 -6.607 49.549 45.122 1.00 0.00 ATOM 1387 CA LEU A 180 -6.685 48.341 45.930 1.00 0.00 ATOM 1388 CB LEU A 180 -5.315 47.971 46.482 1.00 0.00 ATOM 1389 CG LEU A 180 -4.221 47.875 45.400 1.00 0.00 ATOM 1390 CD1 LEU A 180 -2.890 47.478 45.998 1.00 0.00 ATOM 1391 CD2 LEU A 180 -4.640 46.892 44.313 1.00 0.00 ATOM 1392 O LEU A 180 -7.444 49.163 48.077 1.00 0.00 ATOM 1393 C LEU A 180 -7.725 48.549 47.042 1.00 0.00 ATOM 1394 N TYR A 181 -8.922 48.044 46.781 1.00 0.00 ATOM 1395 CA TYR A 181 -10.126 48.207 47.565 1.00 0.00 ATOM 1396 CB TYR A 181 -11.317 48.479 46.627 1.00 0.00 ATOM 1397 CG TYR A 181 -11.552 47.325 45.660 1.00 0.00 ATOM 1398 CD1 TYR A 181 -10.830 47.247 44.477 1.00 0.00 ATOM 1399 CD2 TYR A 181 -12.475 46.323 45.924 1.00 0.00 ATOM 1400 CE1 TYR A 181 -11.021 46.202 43.583 1.00 0.00 ATOM 1401 CE2 TYR A 181 -12.680 45.270 45.043 1.00 0.00 ATOM 1402 CZ TYR A 181 -11.949 45.228 43.873 1.00 0.00 ATOM 1403 OH TYR A 181 -12.143 44.188 42.986 1.00 0.00 ATOM 1404 O TYR A 181 -11.524 46.973 49.030 1.00 0.00 ATOM 1405 C TYR A 181 -10.449 46.984 48.426 1.00 0.00 ATOM 1406 N GLN A 182 -9.592 45.978 48.461 1.00 0.00 ATOM 1407 CA GLN A 182 -9.955 44.666 48.980 1.00 0.00 ATOM 1408 CB GLN A 182 -9.021 43.598 48.395 1.00 0.00 ATOM 1409 CG GLN A 182 -9.303 43.358 46.913 1.00 0.00 ATOM 1410 CD GLN A 182 -8.339 44.138 46.043 1.00 0.00 ATOM 1411 OE1 GLN A 182 -7.859 45.199 46.428 1.00 0.00 ATOM 1412 NE2 GLN A 182 -8.060 43.611 44.859 1.00 0.00 ATOM 1413 O GLN A 182 -10.531 43.619 51.046 1.00 0.00 ATOM 1414 C GLN A 182 -9.958 44.573 50.504 1.00 0.00 ATOM 1415 N PHE A 183 -9.357 45.565 51.155 1.00 0.00 ATOM 1416 CA PHE A 183 -9.223 45.532 52.615 1.00 0.00 ATOM 1417 CB PHE A 183 -8.030 46.372 53.047 1.00 0.00 ATOM 1418 CG PHE A 183 -7.659 46.278 54.515 1.00 0.00 ATOM 1419 CD1 PHE A 183 -7.145 45.119 55.067 1.00 0.00 ATOM 1420 CD2 PHE A 183 -7.819 47.397 55.317 1.00 0.00 ATOM 1421 CE1 PHE A 183 -6.789 45.058 56.402 1.00 0.00 ATOM 1422 CE2 PHE A 183 -7.487 47.342 56.655 1.00 0.00 ATOM 1423 CZ PHE A 183 -6.980 46.169 57.189 1.00 0.00 ATOM 1424 O PHE A 183 -10.640 47.205 53.550 1.00 0.00 ATOM 1425 C PHE A 183 -10.500 46.018 53.270 1.00 0.00 ATOM 1426 N TYR A 184 -11.446 45.109 53.500 1.00 0.00 ATOM 1427 CA TYR A 184 -12.772 45.450 53.937 1.00 0.00 ATOM 1428 CB TYR A 184 -13.559 46.081 52.768 1.00 0.00 ATOM 1429 CG TYR A 184 -14.991 46.370 53.129 1.00 0.00 ATOM 1430 CD1 TYR A 184 -15.335 47.455 53.931 1.00 0.00 ATOM 1431 CD2 TYR A 184 -16.004 45.535 52.670 1.00 0.00 ATOM 1432 CE1 TYR A 184 -16.657 47.697 54.252 1.00 0.00 ATOM 1433 CE2 TYR A 184 -17.323 45.777 52.997 1.00 0.00 ATOM 1434 CZ TYR A 184 -17.644 46.855 53.788 1.00 0.00 ATOM 1435 OH TYR A 184 -18.969 47.078 54.098 1.00 0.00 ATOM 1436 O TYR A 184 -13.547 43.179 53.859 1.00 0.00 ATOM 1437 C TYR A 184 -13.555 44.248 54.463 1.00 0.00 ATOM 1438 N ASP A 185 -14.228 44.482 55.583 1.00 0.00 ATOM 1439 CA ASP A 185 -15.138 43.506 56.192 1.00 0.00 ATOM 1440 CB ASP A 185 -16.469 43.597 55.424 1.00 0.00 ATOM 1441 CG ASP A 185 -17.624 43.063 56.252 1.00 0.00 ATOM 1442 OD1 ASP A 185 -17.559 43.169 57.495 1.00 0.00 ATOM 1443 OD2 ASP A 185 -18.607 42.542 55.681 1.00 0.00 ATOM 1444 O ASP A 185 -13.612 41.857 57.017 1.00 0.00 ATOM 1445 C ASP A 185 -14.567 42.106 56.261 1.00 0.00 ATOM 1446 N LYS A 186 -15.022 41.062 55.558 1.00 0.00 ATOM 1447 CA LYS A 186 -14.509 39.729 55.904 1.00 0.00 ATOM 1448 CB LYS A 186 -15.471 38.687 55.325 1.00 0.00 ATOM 1449 CG LYS A 186 -16.874 38.833 55.909 1.00 0.00 ATOM 1450 CD LYS A 186 -16.981 38.205 57.291 1.00 0.00 ATOM 1451 O LYS A 186 -12.483 38.443 55.720 1.00 0.00 ATOM 1452 C LYS A 186 -13.073 39.499 55.464 1.00 0.00 ATOM 1453 N ALA A 187 -12.474 40.488 54.815 1.00 0.00 ATOM 1454 CA ALA A 187 -11.096 40.442 54.367 1.00 0.00 ATOM 1455 CB ALA A 187 -10.978 41.021 52.950 1.00 0.00 ATOM 1456 O ALA A 187 -8.964 41.287 55.087 1.00 0.00 ATOM 1457 C ALA A 187 -10.174 41.201 55.312 1.00 0.00 ATOM 1458 N ILE A 188 -10.751 41.776 56.367 1.00 0.00 ATOM 1459 CA ILE A 188 -9.927 42.461 57.365 1.00 0.00 ATOM 1460 CB ILE A 188 -10.797 43.226 58.374 1.00 0.00 ATOM 1461 CG1 ILE A 188 -11.771 44.223 57.734 1.00 0.00 ATOM 1462 CG2 ILE A 188 -9.917 43.931 59.401 1.00 0.00 ATOM 1463 CD1 ILE A 188 -11.031 45.234 56.886 1.00 0.00 ATOM 1464 O ILE A 188 -9.383 40.676 58.938 1.00 0.00 ATOM 1465 C ILE A 188 -9.013 41.472 58.080 1.00 0.00 ATOM 1466 N SER A 189 -7.745 41.511 57.690 1.00 0.00 ATOM 1467 CA SER A 189 -6.695 40.766 58.359 1.00 0.00 ATOM 1468 CB SER A 189 -6.927 39.262 58.190 1.00 0.00 ATOM 1469 OG SER A 189 -6.637 38.904 56.846 1.00 0.00 ATOM 1470 O SER A 189 -5.136 41.949 56.901 1.00 0.00 ATOM 1471 C SER A 189 -5.330 41.192 57.857 1.00 0.00 ATOM 1472 N THR A 190 -4.311 40.701 58.562 1.00 0.00 ATOM 1473 CA THR A 190 -2.950 41.059 58.227 1.00 0.00 ATOM 1474 CB THR A 190 -1.957 40.477 59.257 1.00 0.00 ATOM 1475 CG2 THR A 190 -0.579 41.025 58.947 1.00 0.00 ATOM 1476 OG1 THR A 190 -2.316 40.909 60.568 1.00 0.00 ATOM 1477 O THR A 190 -1.901 41.180 56.061 1.00 0.00 ATOM 1478 C THR A 190 -2.564 40.518 56.851 1.00 0.00 ATOM 1479 N GLU A 191 -3.002 39.290 56.655 1.00 0.00 ATOM 1480 CA GLU A 191 -2.713 38.512 55.454 1.00 0.00 ATOM 1481 CB GLU A 191 -3.372 37.124 55.535 1.00 0.00 ATOM 1482 O GLU A 191 -2.412 39.347 53.230 1.00 0.00 ATOM 1483 C GLU A 191 -3.163 39.259 54.207 1.00 0.00 ATOM 1484 N THR A 192 -4.367 39.812 54.235 1.00 0.00 ATOM 1485 CA THR A 192 -4.894 40.581 53.118 1.00 0.00 ATOM 1486 CB THR A 192 -6.279 41.161 53.415 1.00 0.00 ATOM 1487 CG2 THR A 192 -6.826 41.894 52.191 1.00 0.00 ATOM 1488 OG1 THR A 192 -7.239 40.127 53.640 1.00 0.00 ATOM 1489 O THR A 192 -3.652 41.972 51.602 1.00 0.00 ATOM 1490 C THR A 192 -3.915 41.699 52.770 1.00 0.00 ATOM 1491 N ILE A 193 -3.386 42.332 53.817 1.00 0.00 ATOM 1492 CA ILE A 193 -2.517 43.480 53.645 1.00 0.00 ATOM 1493 CB ILE A 193 -2.188 44.171 54.983 1.00 0.00 ATOM 1494 CG1 ILE A 193 -3.353 44.948 55.589 1.00 0.00 ATOM 1495 CG2 ILE A 193 -0.949 45.051 54.826 1.00 0.00 ATOM 1496 CD1 ILE A 193 -3.744 46.193 54.828 1.00 0.00 ATOM 1497 O ILE A 193 -0.704 43.772 52.113 1.00 0.00 ATOM 1498 C ILE A 193 -1.209 43.056 52.978 1.00 0.00 ATOM 1499 N LEU A 194 -0.668 41.907 53.386 1.00 0.00 ATOM 1500 CA LEU A 194 0.582 41.437 52.797 1.00 0.00 ATOM 1501 CB LEU A 194 1.122 40.194 53.499 1.00 0.00 ATOM 1502 CG LEU A 194 1.338 40.298 55.013 1.00 0.00 ATOM 1503 CD1 LEU A 194 1.880 39.007 55.602 1.00 0.00 ATOM 1504 CD2 LEU A 194 2.287 41.435 55.353 1.00 0.00 ATOM 1505 O LEU A 194 1.155 41.523 50.474 1.00 0.00 ATOM 1506 C LEU A 194 0.346 41.144 51.310 1.00 0.00 ATOM 1507 N GLN A 195 -0.776 40.497 51.061 1.00 0.00 ATOM 1508 CA GLN A 195 -1.263 40.174 49.729 1.00 0.00 ATOM 1509 CB GLN A 195 -2.670 39.588 49.788 1.00 0.00 ATOM 1510 CG GLN A 195 -2.788 38.076 49.902 1.00 0.00 ATOM 1511 CD GLN A 195 -4.218 37.703 50.291 1.00 0.00 ATOM 1512 OE1 GLN A 195 -5.149 38.052 49.563 1.00 0.00 ATOM 1513 NE2 GLN A 195 -4.383 37.030 51.426 1.00 0.00 ATOM 1514 O GLN A 195 -0.825 41.442 47.720 1.00 0.00 ATOM 1515 C GLN A 195 -1.319 41.405 48.837 1.00 0.00 ATOM 1516 N LEU A 196 -1.958 42.452 49.363 1.00 0.00 ATOM 1517 CA LEU A 196 -2.032 43.677 48.579 1.00 0.00 ATOM 1518 CB LEU A 196 -2.931 44.693 49.276 1.00 0.00 ATOM 1519 CG LEU A 196 -4.408 44.349 49.358 1.00 0.00 ATOM 1520 CD1 LEU A 196 -5.150 45.372 50.212 1.00 0.00 ATOM 1521 CD2 LEU A 196 -5.042 44.262 47.971 1.00 0.00 ATOM 1522 O LEU A 196 -0.350 44.839 47.331 1.00 0.00 ATOM 1523 C LEU A 196 -0.640 44.251 48.368 1.00 0.00 ATOM 1524 N LEU A 197 0.227 44.079 49.367 1.00 0.00 ATOM 1525 CA LEU A 197 1.566 44.662 49.213 1.00 0.00 ATOM 1526 CB LEU A 197 2.323 44.644 50.541 1.00 0.00 ATOM 1527 CG LEU A 197 1.776 45.527 51.665 1.00 0.00 ATOM 1528 CD1 LEU A 197 2.574 45.318 52.948 1.00 0.00 ATOM 1529 CD2 LEU A 197 1.789 46.988 51.244 1.00 0.00 ATOM 1530 O LEU A 197 2.996 44.475 47.266 1.00 0.00 ATOM 1531 C LEU A 197 2.317 43.911 48.118 1.00 0.00 ATOM 1532 N ASP A 198 2.198 42.590 48.127 1.00 0.00 ATOM 1533 CA ASP A 198 2.875 41.828 47.081 1.00 0.00 ATOM 1534 CB ASP A 198 2.668 40.336 47.318 1.00 0.00 ATOM 1535 CG ASP A 198 3.367 39.820 48.557 1.00 0.00 ATOM 1536 OD1 ASP A 198 4.425 40.383 48.904 1.00 0.00 ATOM 1537 OD2 ASP A 198 2.840 38.856 49.150 1.00 0.00 ATOM 1538 O ASP A 198 3.099 42.343 44.740 1.00 0.00 ATOM 1539 C ASP A 198 2.347 42.237 45.710 1.00 0.00 ATOM 1540 N MET A 199 1.039 42.469 45.644 1.00 0.00 ATOM 1541 CA MET A 199 0.423 42.930 44.396 1.00 0.00 ATOM 1542 CB MET A 199 -1.076 43.154 44.507 1.00 0.00 ATOM 1543 CG MET A 199 -1.954 41.908 44.441 1.00 0.00 ATOM 1544 SD MET A 199 -3.705 42.290 44.721 1.00 0.00 ATOM 1545 CE MET A 199 -4.481 40.822 44.044 1.00 0.00 ATOM 1546 O MET A 199 1.542 44.362 42.819 1.00 0.00 ATOM 1547 C MET A 199 1.151 44.204 43.975 1.00 0.00 ATOM 1548 N VAL A 200 1.375 45.118 44.922 1.00 0.00 ATOM 1549 CA VAL A 200 2.037 46.358 44.496 1.00 0.00 ATOM 1550 CB VAL A 200 2.124 47.387 45.636 1.00 0.00 ATOM 1551 CG1 VAL A 200 3.042 48.538 45.251 1.00 0.00 ATOM 1552 CG2 VAL A 200 0.725 47.890 45.966 1.00 0.00 ATOM 1553 O VAL A 200 3.913 46.647 42.996 1.00 0.00 ATOM 1554 C VAL A 200 3.431 46.076 43.968 1.00 0.00 ATOM 1555 N VAL A 201 4.120 45.167 44.638 1.00 0.00 ATOM 1556 CA VAL A 201 5.508 44.927 44.267 1.00 0.00 ATOM 1557 CB VAL A 201 6.211 44.058 45.315 1.00 0.00 ATOM 1558 CG1 VAL A 201 7.438 43.388 44.723 1.00 0.00 ATOM 1559 CG2 VAL A 201 6.600 44.893 46.526 1.00 0.00 ATOM 1560 O VAL A 201 6.563 44.384 42.170 1.00 0.00 ATOM 1561 C VAL A 201 5.585 44.255 42.902 1.00 0.00 ATOM 1562 N CYS A 202 4.530 43.534 42.574 1.00 0.00 ATOM 1563 CA CYS A 202 4.478 42.767 41.338 1.00 0.00 ATOM 1564 CB CYS A 202 3.546 41.557 41.538 1.00 0.00 ATOM 1565 SG CYS A 202 4.243 40.277 42.608 1.00 0.00 ATOM 1566 O CYS A 202 4.147 43.091 39.002 1.00 0.00 ATOM 1567 C CYS A 202 3.999 43.559 40.138 1.00 0.00 ATOM 1568 N SER A 203 3.410 44.743 40.323 1.00 0.00 ATOM 1569 CA SER A 203 2.803 45.347 39.132 1.00 0.00 ATOM 1570 CB SER A 203 1.398 45.861 39.449 1.00 0.00 ATOM 1571 OG SER A 203 1.500 47.162 39.995 1.00 0.00 ATOM 1572 O SER A 203 4.688 46.819 39.142 1.00 0.00 ATOM 1573 C SER A 203 3.667 46.459 38.561 1.00 0.00 ATOM 1574 N GLU A 204 3.233 46.963 37.416 1.00 0.00 ATOM 1575 CA GLU A 204 3.952 47.926 36.603 1.00 0.00 ATOM 1576 CB GLU A 204 3.538 47.756 35.133 1.00 0.00 ATOM 1577 O GLU A 204 4.494 50.268 36.703 1.00 0.00 ATOM 1578 C GLU A 204 3.707 49.372 37.023 1.00 0.00 ATOM 1579 N GLY A 205 2.607 49.567 37.731 1.00 0.00 ATOM 1580 CA GLY A 205 2.198 50.844 38.272 1.00 0.00 ATOM 1581 O GLY A 205 4.293 50.960 39.406 1.00 0.00 ATOM 1582 C GLY A 205 3.304 51.574 39.004 1.00 0.00 ATOM 1583 N GLU A 206 3.118 52.878 39.168 1.00 0.00 ATOM 1584 CA GLU A 206 4.047 53.696 39.944 1.00 0.00 ATOM 1585 CB GLU A 206 4.486 54.936 39.178 1.00 0.00 ATOM 1586 CG GLU A 206 5.621 55.737 39.810 1.00 0.00 ATOM 1587 CD GLU A 206 5.635 57.189 39.365 1.00 0.00 ATOM 1588 OE1 GLU A 206 5.010 57.489 38.319 1.00 0.00 ATOM 1589 OE2 GLU A 206 6.253 58.049 40.040 1.00 0.00 ATOM 1590 O GLU A 206 4.059 53.960 42.314 1.00 0.00 ATOM 1591 C GLU A 206 3.392 54.076 41.280 1.00 0.00 ATOM 1592 N VAL A 207 2.138 54.503 41.230 1.00 0.00 ATOM 1593 CA VAL A 207 1.367 54.936 42.382 1.00 0.00 ATOM 1594 CB VAL A 207 0.903 56.394 42.263 1.00 0.00 ATOM 1595 CG1 VAL A 207 0.205 56.837 43.544 1.00 0.00 ATOM 1596 CG2 VAL A 207 2.078 57.315 41.956 1.00 0.00 ATOM 1597 O VAL A 207 -0.687 53.854 41.719 1.00 0.00 ATOM 1598 C VAL A 207 0.132 54.064 42.612 1.00 0.00 ATOM 1599 N PHE A 208 0.008 53.589 43.847 1.00 0.00 ATOM 1600 CA PHE A 208 -1.029 52.695 44.287 1.00 0.00 ATOM 1601 CB PHE A 208 -0.474 51.327 44.673 1.00 0.00 ATOM 1602 CG PHE A 208 0.376 50.680 43.594 1.00 0.00 ATOM 1603 CD1 PHE A 208 1.651 51.140 43.332 1.00 0.00 ATOM 1604 CD2 PHE A 208 -0.134 49.628 42.863 1.00 0.00 ATOM 1605 CE1 PHE A 208 2.420 50.561 42.340 1.00 0.00 ATOM 1606 CE2 PHE A 208 0.625 49.039 41.867 1.00 0.00 ATOM 1607 CZ PHE A 208 1.894 49.511 41.611 1.00 0.00 ATOM 1608 O PHE A 208 -1.143 53.958 46.305 1.00 0.00 ATOM 1609 C PHE A 208 -1.776 53.272 45.497 1.00 0.00 ATOM 1610 N GLU A 209 -3.066 52.983 45.579 1.00 0.00 ATOM 1611 CA GLU A 209 -3.869 53.409 46.723 1.00 0.00 ATOM 1612 CB GLU A 209 -4.918 54.466 46.371 1.00 0.00 ATOM 1613 CG GLU A 209 -5.704 54.898 47.604 1.00 0.00 ATOM 1614 CD GLU A 209 -6.720 55.986 47.381 1.00 0.00 ATOM 1615 OE1 GLU A 209 -6.874 56.447 46.230 1.00 0.00 ATOM 1616 OE2 GLU A 209 -7.394 56.402 48.356 1.00 0.00 ATOM 1617 O GLU A 209 -5.267 51.435 46.685 1.00 0.00 ATOM 1618 C GLU A 209 -4.549 52.194 47.340 1.00 0.00 ATOM 1619 N ILE A 210 -4.301 52.016 48.639 1.00 0.00 ATOM 1620 CA ILE A 210 -5.140 51.096 49.400 1.00 0.00 ATOM 1621 CB ILE A 210 -4.292 50.179 50.294 1.00 0.00 ATOM 1622 CG1 ILE A 210 -3.485 49.113 49.563 1.00 0.00 ATOM 1623 CG2 ILE A 210 -5.193 49.559 51.358 1.00 0.00 ATOM 1624 CD1 ILE A 210 -2.279 48.621 50.352 1.00 0.00 ATOM 1625 O ILE A 210 -5.605 52.733 51.073 1.00 0.00 ATOM 1626 C ILE A 210 -6.076 51.911 50.281 1.00 0.00 ATOM 1627 N ASN A 211 -7.396 51.748 50.176 1.00 0.00 ATOM 1628 CA ASN A 211 -8.253 52.549 51.062 1.00 0.00 ATOM 1629 CB ASN A 211 -9.475 53.111 50.364 1.00 0.00 ATOM 1630 CG ASN A 211 -10.584 52.128 50.087 1.00 0.00 ATOM 1631 ND2 ASN A 211 -11.827 52.561 50.216 1.00 0.00 ATOM 1632 OD1 ASN A 211 -10.295 50.982 49.737 1.00 0.00 ATOM 1633 O ASN A 211 -8.439 50.451 52.313 1.00 0.00 ATOM 1634 C ASN A 211 -8.621 51.680 52.271 1.00 0.00 ATOM 1635 N CYS A 212 -9.124 52.373 53.298 1.00 0.00 ATOM 1636 CA CYS A 212 -9.462 51.653 54.525 1.00 0.00 ATOM 1637 CB CYS A 212 -8.205 51.308 55.319 1.00 0.00 ATOM 1638 SG CYS A 212 -7.121 52.705 55.701 1.00 0.00 ATOM 1639 O CYS A 212 -10.606 53.657 55.074 1.00 0.00 ATOM 1640 C CYS A 212 -10.415 52.489 55.379 1.00 0.00 ATOM 1641 N HIS A 213 -10.969 51.869 56.419 1.00 0.00 ATOM 1642 CA HIS A 213 -11.933 52.550 57.265 1.00 0.00 ATOM 1643 CB HIS A 213 -13.318 52.050 56.906 1.00 0.00 ATOM 1644 CG HIS A 213 -13.718 52.268 55.474 1.00 0.00 ATOM 1645 CD2 HIS A 213 -14.550 53.180 54.928 1.00 0.00 ATOM 1646 ND1 HIS A 213 -13.267 51.482 54.431 1.00 0.00 ATOM 1647 CE1 HIS A 213 -13.802 51.921 53.303 1.00 0.00 ATOM 1648 NE2 HIS A 213 -14.594 52.955 53.569 1.00 0.00 ATOM 1649 O HIS A 213 -12.462 51.847 59.541 1.00 0.00 ATOM 1650 C HIS A 213 -11.650 52.363 58.764 1.00 0.00 ATOM 1651 N PRO A 214 -10.483 52.792 59.216 1.00 0.00 ATOM 1652 CA PRO A 214 -10.190 52.716 60.656 1.00 0.00 ATOM 1653 CB PRO A 214 -8.754 53.174 60.779 1.00 0.00 ATOM 1654 CG PRO A 214 -8.376 53.803 59.481 1.00 0.00 ATOM 1655 CD PRO A 214 -9.389 53.391 58.455 1.00 0.00 ATOM 1656 O PRO A 214 -11.522 54.718 60.872 1.00 0.00 ATOM 1657 C PRO A 214 -11.108 53.691 61.397 1.00 0.00 ATOM 1658 N ALA A 215 -11.415 53.366 62.641 1.00 0.00 ATOM 1659 CA ALA A 215 -12.192 54.165 63.560 1.00 0.00 ATOM 1660 CB ALA A 215 -13.657 54.236 63.179 1.00 0.00 ATOM 1661 O ALA A 215 -11.803 52.382 65.077 1.00 0.00 ATOM 1662 C ALA A 215 -12.099 53.561 64.967 1.00 0.00 ATOM 1663 N PHE A 216 -12.345 54.414 65.950 1.00 0.00 ATOM 1664 CA PHE A 216 -12.798 54.014 67.262 1.00 0.00 ATOM 1665 CB PHE A 216 -12.304 54.927 68.379 1.00 0.00 ATOM 1666 CG PHE A 216 -10.798 55.003 68.523 1.00 0.00 ATOM 1667 CD1 PHE A 216 -9.936 53.956 68.247 1.00 0.00 ATOM 1668 CD2 PHE A 216 -10.192 56.179 68.964 1.00 0.00 ATOM 1669 CE1 PHE A 216 -8.561 54.090 68.442 1.00 0.00 ATOM 1670 CE2 PHE A 216 -8.842 56.342 69.143 1.00 0.00 ATOM 1671 CZ PHE A 216 -8.009 55.280 68.851 1.00 0.00 ATOM 1672 O PHE A 216 -14.891 54.660 66.299 1.00 0.00 ATOM 1673 C PHE A 216 -14.322 54.005 67.175 1.00 0.00 ATOM 1674 N ILE A 217 -14.974 53.292 68.069 1.00 0.00 ATOM 1675 CA ILE A 217 -16.435 53.238 68.076 1.00 0.00 ATOM 1676 CB ILE A 217 -16.972 51.832 68.395 1.00 0.00 ATOM 1677 CG1 ILE A 217 -16.449 50.697 67.522 1.00 0.00 ATOM 1678 CG2 ILE A 217 -18.495 51.832 68.333 1.00 0.00 ATOM 1679 CD1 ILE A 217 -16.089 51.086 66.112 1.00 0.00 ATOM 1680 O ILE A 217 -16.574 54.266 70.241 1.00 0.00 ATOM 1681 C ILE A 217 -17.020 54.232 69.083 1.00 0.00 ATOM 1682 N ASP A 218 -18.000 54.991 68.612 1.00 0.00 ATOM 1683 CA ASP A 218 -18.859 55.835 69.448 1.00 0.00 ATOM 1684 CB ASP A 218 -18.616 57.319 69.350 1.00 0.00 ATOM 1685 CG ASP A 218 -18.571 57.994 67.994 1.00 0.00 ATOM 1686 OD1 ASP A 218 -18.822 57.379 66.933 1.00 0.00 ATOM 1687 OD2 ASP A 218 -18.240 59.201 67.969 1.00 0.00 ATOM 1688 O ASP A 218 -20.584 54.703 68.184 1.00 0.00 ATOM 1689 C ASP A 218 -20.305 55.477 69.111 1.00 0.00 ATOM 1690 N THR A 219 -21.257 55.979 69.880 1.00 0.00 ATOM 1691 CA THR A 219 -22.640 55.654 69.526 1.00 0.00 ATOM 1692 CB THR A 219 -23.650 56.140 70.573 1.00 0.00 ATOM 1693 CG2 THR A 219 -23.405 55.479 71.920 1.00 0.00 ATOM 1694 OG1 THR A 219 -23.458 57.550 70.775 1.00 0.00 ATOM 1695 O THR A 219 -23.839 55.768 67.477 1.00 0.00 ATOM 1696 C THR A 219 -23.001 56.302 68.188 1.00 0.00 ATOM 1697 N ILE A 220 -22.381 57.442 67.892 1.00 0.00 ATOM 1698 CA ILE A 220 -22.718 58.129 66.636 1.00 0.00 ATOM 1699 CB ILE A 220 -22.028 59.484 66.508 1.00 0.00 ATOM 1700 CG1 ILE A 220 -22.300 60.401 67.714 1.00 0.00 ATOM 1701 CG2 ILE A 220 -22.405 60.223 65.234 1.00 0.00 ATOM 1702 CD1 ILE A 220 -21.039 61.119 68.118 1.00 0.00 ATOM 1703 O ILE A 220 -23.212 56.998 64.587 1.00 0.00 ATOM 1704 C ILE A 220 -22.387 57.198 65.476 1.00 0.00 ATOM 1705 N LEU A 221 -21.209 56.580 65.458 1.00 0.00 ATOM 1706 CA LEU A 221 -20.926 55.620 64.391 1.00 0.00 ATOM 1707 CB LEU A 221 -19.501 55.083 64.533 1.00 0.00 ATOM 1708 CG LEU A 221 -19.115 53.961 63.569 1.00 0.00 ATOM 1709 CD1 LEU A 221 -19.258 54.398 62.124 1.00 0.00 ATOM 1710 CD2 LEU A 221 -17.696 53.493 63.869 1.00 0.00 ATOM 1711 O LEU A 221 -22.464 54.072 63.359 1.00 0.00 ATOM 1712 C LEU A 221 -21.928 54.478 64.395 1.00 0.00 ATOM 1713 N GLN A 222 -22.201 53.931 65.583 1.00 0.00 ATOM 1714 CA GLN A 222 -23.142 52.813 65.683 1.00 0.00 ATOM 1715 CB GLN A 222 -23.344 52.450 67.146 1.00 0.00 ATOM 1716 CG GLN A 222 -22.374 51.492 67.800 1.00 0.00 ATOM 1717 CD GLN A 222 -23.082 50.806 68.972 1.00 0.00 ATOM 1718 OE1 GLN A 222 -23.824 51.473 69.694 1.00 0.00 ATOM 1719 NE2 GLN A 222 -22.861 49.510 69.126 1.00 0.00 ATOM 1720 O GLN A 222 -25.233 52.284 64.574 1.00 0.00 ATOM 1721 C GLN A 222 -24.516 53.140 65.104 1.00 0.00 ATOM 1722 N ASN A 223 -24.908 54.394 65.247 1.00 0.00 ATOM 1723 CA ASN A 223 -26.223 54.856 64.851 1.00 0.00 ATOM 1724 CB ASN A 223 -26.521 56.212 65.473 1.00 0.00 ATOM 1725 CG ASN A 223 -26.811 56.130 66.977 1.00 0.00 ATOM 1726 ND2 ASN A 223 -26.812 57.295 67.613 1.00 0.00 ATOM 1727 OD1 ASN A 223 -27.022 55.063 67.530 1.00 0.00 ATOM 1728 O ASN A 223 -27.409 54.894 62.773 1.00 0.00 ATOM 1729 C ASN A 223 -26.321 54.984 63.324 1.00 0.00 ATOM 1730 N GLN A 224 -25.161 55.215 62.714 1.00 0.00 ATOM 1731 CA GLN A 224 -25.058 55.763 61.383 1.00 0.00 ATOM 1732 CB GLN A 224 -24.229 57.077 61.425 1.00 0.00 ATOM 1733 CG GLN A 224 -25.179 58.241 61.116 1.00 0.00 ATOM 1734 CD GLN A 224 -25.567 58.156 59.647 1.00 0.00 ATOM 1735 OE1 GLN A 224 -26.701 57.912 59.255 1.00 0.00 ATOM 1736 NE2 GLN A 224 -24.587 58.320 58.773 1.00 0.00 ATOM 1737 O GLN A 224 -24.771 55.020 59.165 1.00 0.00 ATOM 1738 C GLN A 224 -24.443 54.847 60.346 1.00 0.00 ATOM 1739 N SER A 225 -23.586 53.930 60.791 1.00 0.00 ATOM 1740 CA SER A 225 -23.066 52.984 59.828 1.00 0.00 ATOM 1741 CB SER A 225 -21.552 53.242 59.626 1.00 0.00 ATOM 1742 OG SER A 225 -21.307 52.917 58.266 1.00 0.00 ATOM 1743 O SER A 225 -22.794 51.059 61.244 1.00 0.00 ATOM 1744 C SER A 225 -23.192 51.513 60.177 1.00 0.00 ATOM 1745 N GLY A 226 -23.704 50.758 59.198 1.00 0.00 ATOM 1746 CA GLY A 226 -23.691 49.317 59.299 1.00 0.00 ATOM 1747 O GLY A 226 -22.186 47.597 59.815 1.00 0.00 ATOM 1748 C GLY A 226 -22.301 48.713 59.320 1.00 0.00 ATOM 1749 N TYR A 227 -21.279 49.409 58.826 1.00 0.00 ATOM 1750 CA TYR A 227 -19.896 48.967 58.951 1.00 0.00 ATOM 1751 CB TYR A 227 -19.040 49.303 57.728 1.00 0.00 ATOM 1752 CG TYR A 227 -17.696 48.603 57.673 1.00 0.00 ATOM 1753 CD1 TYR A 227 -17.583 47.222 57.748 1.00 0.00 ATOM 1754 CD2 TYR A 227 -16.500 49.300 57.543 1.00 0.00 ATOM 1755 CE1 TYR A 227 -16.361 46.562 57.701 1.00 0.00 ATOM 1756 CE2 TYR A 227 -15.275 48.664 57.491 1.00 0.00 ATOM 1757 CZ TYR A 227 -15.200 47.291 57.566 1.00 0.00 ATOM 1758 OH TYR A 227 -13.989 46.644 57.525 1.00 0.00 ATOM 1759 O TYR A 227 -18.813 50.763 60.131 1.00 0.00 ATOM 1760 C TYR A 227 -19.292 49.631 60.191 1.00 0.00 ATOM 1761 N CYS A 228 -19.346 48.911 61.298 1.00 0.00 ATOM 1762 CA CYS A 228 -19.003 49.534 62.584 1.00 0.00 ATOM 1763 CB CYS A 228 -20.282 49.576 63.428 1.00 0.00 ATOM 1764 SG CYS A 228 -20.096 50.448 65.003 1.00 0.00 ATOM 1765 O CYS A 228 -16.720 49.220 63.268 1.00 0.00 ATOM 1766 C CYS A 228 -17.882 48.809 63.297 1.00 0.00 ATOM 1767 N MET A 229 -18.169 47.676 63.952 1.00 0.00 ATOM 1768 CA MET A 229 -17.152 47.012 64.764 1.00 0.00 ATOM 1769 CB MET A 229 -17.775 45.802 65.463 1.00 0.00 ATOM 1770 CG MET A 229 -18.779 46.059 66.563 1.00 0.00 ATOM 1771 SD MET A 229 -18.475 47.356 67.781 1.00 0.00 ATOM 1772 CE MET A 229 -17.084 46.677 68.692 1.00 0.00 ATOM 1773 O MET A 229 -14.828 46.664 64.635 1.00 0.00 ATOM 1774 C MET A 229 -15.906 46.615 63.996 1.00 0.00 ATOM 1775 N PRO A 230 -15.859 46.223 62.735 1.00 0.00 ATOM 1776 CA PRO A 230 -14.557 45.876 62.137 1.00 0.00 ATOM 1777 CB PRO A 230 -14.921 45.429 60.714 1.00 0.00 ATOM 1778 CG PRO A 230 -16.359 45.012 60.828 1.00 0.00 ATOM 1779 CD PRO A 230 -16.948 46.048 61.757 1.00 0.00 ATOM 1780 O PRO A 230 -12.366 46.858 61.906 1.00 0.00 ATOM 1781 C PRO A 230 -13.578 47.049 62.032 1.00 0.00 ATOM 1782 N ARG A 231 -14.099 48.264 62.114 1.00 0.00 ATOM 1783 CA ARG A 231 -13.205 49.416 61.950 1.00 0.00 ATOM 1784 CB ARG A 231 -13.987 50.712 61.918 1.00 0.00 ATOM 1785 CG ARG A 231 -15.105 50.848 60.903 1.00 0.00 ATOM 1786 CD ARG A 231 -15.345 52.340 60.620 1.00 0.00 ATOM 1787 NE ARG A 231 -16.510 52.486 59.767 1.00 0.00 ATOM 1788 CZ ARG A 231 -16.760 53.383 58.845 1.00 0.00 ATOM 1789 NH1 ARG A 231 -15.934 54.360 58.543 1.00 0.00 ATOM 1790 NH2 ARG A 231 -17.914 53.294 58.192 1.00 0.00 ATOM 1791 O ARG A 231 -11.043 49.938 62.861 1.00 0.00 ATOM 1792 C ARG A 231 -12.158 49.449 63.056 1.00 0.00 ATOM 1793 N ILE A 232 -12.472 48.906 64.251 1.00 0.00 ATOM 1794 CA ILE A 232 -11.409 48.908 65.263 1.00 0.00 ATOM 1795 CB ILE A 232 -11.966 48.664 66.678 1.00 0.00 ATOM 1796 CG1 ILE A 232 -12.740 47.359 66.917 1.00 0.00 ATOM 1797 CG2 ILE A 232 -12.841 49.838 67.113 1.00 0.00 ATOM 1798 CD1 ILE A 232 -12.894 47.086 68.415 1.00 0.00 ATOM 1799 O ILE A 232 -9.153 48.103 65.242 1.00 0.00 ATOM 1800 C ILE A 232 -10.334 47.897 64.919 1.00 0.00 ATOM 1801 N ARG A 233 -10.726 46.793 64.242 1.00 0.00 ATOM 1802 CA ARG A 233 -9.764 45.758 63.899 1.00 0.00 ATOM 1803 CB ARG A 233 -10.413 44.491 63.333 1.00 0.00 ATOM 1804 CG ARG A 233 -11.251 43.678 64.287 1.00 0.00 ATOM 1805 O ARG A 233 -7.583 45.948 62.911 1.00 0.00 ATOM 1806 C ARG A 233 -8.755 46.305 62.888 1.00 0.00 ATOM 1807 N GLU A 234 -9.249 47.175 62.012 1.00 0.00 ATOM 1808 CA GLU A 234 -8.415 47.854 61.024 1.00 0.00 ATOM 1809 CB GLU A 234 -9.274 48.707 60.078 1.00 0.00 ATOM 1810 CG GLU A 234 -10.302 47.920 59.275 1.00 0.00 ATOM 1811 CD GLU A 234 -10.830 48.687 58.067 1.00 0.00 ATOM 1812 OE1 GLU A 234 -10.121 49.571 57.559 1.00 0.00 ATOM 1813 OE2 GLU A 234 -11.965 48.380 57.648 1.00 0.00 ATOM 1814 O GLU A 234 -6.217 48.761 61.284 1.00 0.00 ATOM 1815 C GLU A 234 -7.370 48.724 61.698 1.00 0.00 ATOM 1816 N VAL A 235 -7.794 49.466 62.742 1.00 0.00 ATOM 1817 CA VAL A 235 -6.797 50.244 63.472 1.00 0.00 ATOM 1818 CB VAL A 235 -7.370 50.992 64.682 1.00 0.00 ATOM 1819 CG1 VAL A 235 -6.235 51.749 65.370 1.00 0.00 ATOM 1820 CG2 VAL A 235 -8.473 51.951 64.278 1.00 0.00 ATOM 1821 O VAL A 235 -4.500 49.598 63.877 1.00 0.00 ATOM 1822 C VAL A 235 -5.697 49.317 63.972 1.00 0.00 ATOM 1823 N GLU A 236 -6.164 48.171 64.479 1.00 0.00 ATOM 1824 CA GLU A 236 -5.177 47.284 65.093 1.00 0.00 ATOM 1825 CB GLU A 236 -5.917 46.126 65.764 1.00 0.00 ATOM 1826 CG GLU A 236 -5.021 45.150 66.481 1.00 0.00 ATOM 1827 CD GLU A 236 -5.793 43.999 67.110 1.00 0.00 ATOM 1828 OE1 GLU A 236 -6.875 43.608 66.624 1.00 0.00 ATOM 1829 OE2 GLU A 236 -5.267 43.495 68.128 1.00 0.00 ATOM 1830 O GLU A 236 -2.970 46.796 64.256 1.00 0.00 ATOM 1831 C GLU A 236 -4.177 46.823 64.054 1.00 0.00 ATOM 1832 N ILE A 237 -4.717 46.437 62.897 1.00 0.00 ATOM 1833 CA ILE A 237 -3.825 45.900 61.860 1.00 0.00 ATOM 1834 CB ILE A 237 -4.657 45.219 60.756 1.00 0.00 ATOM 1835 CG1 ILE A 237 -5.287 43.908 61.208 1.00 0.00 ATOM 1836 CG2 ILE A 237 -3.807 45.044 59.506 1.00 0.00 ATOM 1837 CD1 ILE A 237 -6.559 43.524 60.521 1.00 0.00 ATOM 1838 O ILE A 237 -1.762 46.832 61.069 1.00 0.00 ATOM 1839 C ILE A 237 -2.958 46.996 61.279 1.00 0.00 ATOM 1840 N LEU A 238 -3.542 48.167 61.017 1.00 0.00 ATOM 1841 CA LEU A 238 -2.747 49.242 60.422 1.00 0.00 ATOM 1842 CB LEU A 238 -3.656 50.374 59.916 1.00 0.00 ATOM 1843 CG LEU A 238 -4.647 49.929 58.828 1.00 0.00 ATOM 1844 CD1 LEU A 238 -5.704 50.985 58.576 1.00 0.00 ATOM 1845 CD2 LEU A 238 -3.876 49.599 57.555 1.00 0.00 ATOM 1846 O LEU A 238 -0.795 50.530 60.891 1.00 0.00 ATOM 1847 C LEU A 238 -1.692 49.831 61.353 1.00 0.00 ATOM 1848 N THR A 239 -1.756 49.561 62.655 1.00 0.00 ATOM 1849 CA THR A 239 -0.748 50.039 63.588 1.00 0.00 ATOM 1850 CB THR A 239 -1.406 50.664 64.841 1.00 0.00 ATOM 1851 CG2 THR A 239 -2.347 51.785 64.474 1.00 0.00 ATOM 1852 OG1 THR A 239 -2.187 49.645 65.468 1.00 0.00 ATOM 1853 O THR A 239 1.048 49.141 64.906 1.00 0.00 ATOM 1854 C THR A 239 0.186 48.920 64.043 1.00 0.00 ATOM 1855 N SER A 240 0.042 47.725 63.470 1.00 0.00 ATOM 1856 CA SER A 240 0.872 46.589 63.853 1.00 0.00 ATOM 1857 CB SER A 240 0.208 45.276 63.424 1.00 0.00 ATOM 1858 OG SER A 240 0.172 45.071 62.022 1.00 0.00 ATOM 1859 O SER A 240 2.568 47.194 62.237 1.00 0.00 ATOM 1860 C SER A 240 2.290 46.674 63.315 1.00 0.00 ATOM 1861 N GLN A 241 3.245 46.152 64.098 1.00 0.00 ATOM 1862 CA GLN A 241 4.629 46.060 63.676 1.00 0.00 ATOM 1863 CB GLN A 241 5.478 45.433 64.794 1.00 0.00 ATOM 1864 CG GLN A 241 6.976 45.577 64.523 1.00 0.00 ATOM 1865 CD GLN A 241 7.562 46.680 65.391 1.00 0.00 ATOM 1866 OE1 GLN A 241 7.764 46.454 66.585 1.00 0.00 ATOM 1867 NE2 GLN A 241 7.833 47.841 64.801 1.00 0.00 ATOM 1868 O GLN A 241 5.655 45.548 61.574 1.00 0.00 ATOM 1869 C GLN A 241 4.806 45.232 62.407 1.00 0.00 ATOM 1870 N GLU A 242 4.018 44.175 62.265 1.00 0.00 ATOM 1871 CA GLU A 242 4.102 43.300 61.104 1.00 0.00 ATOM 1872 CB GLU A 242 3.113 42.138 61.225 1.00 0.00 ATOM 1873 CG GLU A 242 3.223 41.195 60.031 1.00 0.00 ATOM 1874 CD GLU A 242 2.397 39.933 60.211 1.00 0.00 ATOM 1875 OE1 GLU A 242 1.642 39.870 61.206 1.00 0.00 ATOM 1876 OE2 GLU A 242 2.506 39.017 59.367 1.00 0.00 ATOM 1877 O GLU A 242 4.476 43.919 58.804 1.00 0.00 ATOM 1878 C GLU A 242 3.800 44.058 59.822 1.00 0.00 ATOM 1879 N VAL A 243 2.758 44.888 59.886 1.00 0.00 ATOM 1880 CA VAL A 243 2.429 45.663 58.691 1.00 0.00 ATOM 1881 CB VAL A 243 1.085 46.396 58.872 1.00 0.00 ATOM 1882 CG1 VAL A 243 0.858 47.329 57.695 1.00 0.00 ATOM 1883 CG2 VAL A 243 -0.015 45.364 59.047 1.00 0.00 ATOM 1884 O VAL A 243 3.979 46.688 57.211 1.00 0.00 ATOM 1885 C VAL A 243 3.532 46.641 58.359 1.00 0.00 ATOM 1886 N LYS A 244 4.000 47.416 59.342 1.00 0.00 ATOM 1887 CA LYS A 244 5.088 48.353 59.078 1.00 0.00 ATOM 1888 CB LYS A 244 5.477 49.111 60.353 1.00 0.00 ATOM 1889 CG LYS A 244 4.352 50.042 60.800 1.00 0.00 ATOM 1890 CD LYS A 244 4.693 50.722 62.116 1.00 0.00 ATOM 1891 CE LYS A 244 3.466 51.403 62.705 1.00 0.00 ATOM 1892 NZ LYS A 244 3.244 51.040 64.134 1.00 0.00 ATOM 1893 O LYS A 244 6.861 48.106 57.504 1.00 0.00 ATOM 1894 C LYS A 244 6.303 47.636 58.498 1.00 0.00 ATOM 1895 N GLU A 245 6.691 46.515 59.098 1.00 0.00 ATOM 1896 CA GLU A 245 7.850 45.772 58.594 1.00 0.00 ATOM 1897 CB GLU A 245 8.163 44.587 59.524 1.00 0.00 ATOM 1898 CG GLU A 245 8.992 45.039 60.725 1.00 0.00 ATOM 1899 CD GLU A 245 9.095 44.031 61.846 1.00 0.00 ATOM 1900 OE1 GLU A 245 8.697 42.863 61.645 1.00 0.00 ATOM 1901 OE2 GLU A 245 9.591 44.446 62.923 1.00 0.00 ATOM 1902 O GLU A 245 8.584 45.349 56.355 1.00 0.00 ATOM 1903 C GLU A 245 7.644 45.301 57.158 1.00 0.00 ATOM 1904 N ALA A 246 6.441 44.857 56.820 1.00 0.00 ATOM 1905 CA ALA A 246 6.166 44.325 55.483 1.00 0.00 ATOM 1906 CB ALA A 246 4.743 43.821 55.360 1.00 0.00 ATOM 1907 O ALA A 246 7.012 45.103 53.354 1.00 0.00 ATOM 1908 C ALA A 246 6.416 45.370 54.406 1.00 0.00 ATOM 1909 N ILE A 247 5.946 46.591 54.667 1.00 0.00 ATOM 1910 CA ILE A 247 6.153 47.654 53.667 1.00 0.00 ATOM 1911 CB ILE A 247 5.348 48.893 54.092 1.00 0.00 ATOM 1912 CG1 ILE A 247 3.855 48.717 53.763 1.00 0.00 ATOM 1913 CG2 ILE A 247 5.898 50.189 53.527 1.00 0.00 ATOM 1914 CD1 ILE A 247 2.907 49.352 54.754 1.00 0.00 ATOM 1915 O ILE A 247 8.188 48.045 52.417 1.00 0.00 ATOM 1916 C ILE A 247 7.642 47.904 53.515 1.00 0.00 ATOM 1917 N GLU A 248 8.320 47.902 54.666 1.00 0.00 ATOM 1918 CA GLU A 248 9.768 48.010 54.731 1.00 0.00 ATOM 1919 CB GLU A 248 10.257 47.905 56.183 1.00 0.00 ATOM 1920 CG GLU A 248 9.774 48.994 57.113 1.00 0.00 ATOM 1921 CD GLU A 248 10.707 49.362 58.246 1.00 0.00 ATOM 1922 OE1 GLU A 248 11.899 48.987 58.226 1.00 0.00 ATOM 1923 OE2 GLU A 248 10.234 50.055 59.181 1.00 0.00 ATOM 1924 O GLU A 248 11.256 47.286 52.992 1.00 0.00 ATOM 1925 C GLU A 248 10.465 46.949 53.875 1.00 0.00 ATOM 1926 N GLU A 249 10.178 45.682 54.127 1.00 0.00 ATOM 1927 CA GLU A 249 10.799 44.544 53.464 1.00 0.00 ATOM 1928 CB GLU A 249 10.217 43.236 54.006 1.00 0.00 ATOM 1929 CG GLU A 249 9.962 42.121 53.013 1.00 0.00 ATOM 1930 O GLU A 249 11.371 43.980 51.193 1.00 0.00 ATOM 1931 C GLU A 249 10.620 44.598 51.950 1.00 0.00 ATOM 1932 N ARG A 250 9.589 45.318 51.517 1.00 0.00 ATOM 1933 CA ARG A 250 9.296 45.329 50.085 1.00 0.00 ATOM 1934 CB ARG A 250 7.803 45.155 49.832 1.00 0.00 ATOM 1935 CG ARG A 250 7.323 43.722 49.998 1.00 0.00 ATOM 1936 CD ARG A 250 5.820 43.657 50.050 1.00 0.00 ATOM 1937 NE ARG A 250 5.256 42.349 50.308 1.00 0.00 ATOM 1938 CZ ARG A 250 5.353 41.647 51.429 1.00 0.00 ATOM 1939 NH1 ARG A 250 6.021 42.113 52.471 1.00 0.00 ATOM 1940 NH2 ARG A 250 4.776 40.457 51.515 1.00 0.00 ATOM 1941 O ARG A 250 9.516 46.814 48.255 1.00 0.00 ATOM 1942 C ARG A 250 9.778 46.618 49.439 1.00 0.00 ATOM 1943 N GLY A 251 10.460 47.466 50.202 1.00 0.00 ATOM 1944 CA GLY A 251 10.988 48.712 49.688 1.00 0.00 ATOM 1945 O GLY A 251 10.212 50.709 48.642 1.00 0.00 ATOM 1946 C GLY A 251 9.913 49.713 49.321 1.00 0.00 ATOM 1947 N ILE A 252 8.669 49.511 49.749 1.00 0.00 ATOM 1948 CA ILE A 252 7.594 50.407 49.321 1.00 0.00 ATOM 1949 CB ILE A 252 6.217 49.734 49.505 1.00 0.00 ATOM 1950 CG1 ILE A 252 6.118 48.466 48.658 1.00 0.00 ATOM 1951 CG2 ILE A 252 5.065 50.686 49.242 1.00 0.00 ATOM 1952 CD1 ILE A 252 4.986 47.529 48.936 1.00 0.00 ATOM 1953 O ILE A 252 7.879 51.783 51.262 1.00 0.00 ATOM 1954 C ILE A 252 7.650 51.745 50.055 1.00 0.00 ATOM 1955 N LEU A 253 7.444 52.809 49.289 1.00 0.00 ATOM 1956 CA LEU A 253 7.442 54.184 49.761 1.00 0.00 ATOM 1957 CB LEU A 253 7.895 55.198 48.710 1.00 0.00 ATOM 1958 CG LEU A 253 9.353 55.175 48.256 1.00 0.00 ATOM 1959 CD1 LEU A 253 9.606 56.235 47.196 1.00 0.00 ATOM 1960 CD2 LEU A 253 10.268 55.326 49.463 1.00 0.00 ATOM 1961 O LEU A 253 5.119 54.523 49.374 1.00 0.00 ATOM 1962 C LEU A 253 6.041 54.591 50.194 1.00 0.00 ATOM 1963 N LEU A 254 5.867 55.008 51.455 1.00 0.00 ATOM 1964 CA LEU A 254 4.510 55.428 51.831 1.00 0.00 ATOM 1965 CB LEU A 254 4.253 55.193 53.325 1.00 0.00 ATOM 1966 CG LEU A 254 3.953 53.751 53.733 1.00 0.00 ATOM 1967 CD1 LEU A 254 3.899 53.619 55.259 1.00 0.00 ATOM 1968 CD2 LEU A 254 2.642 53.261 53.121 1.00 0.00 ATOM 1969 O LEU A 254 4.933 57.780 52.012 1.00 0.00 ATOM 1970 C LEU A 254 4.281 56.887 51.486 1.00 0.00 ATOM 1971 N ALA A 255 3.308 57.124 50.607 1.00 0.00 ATOM 1972 CA ALA A 255 3.065 58.440 50.059 1.00 0.00 ATOM 1973 CB ALA A 255 3.376 58.359 48.556 1.00 0.00 ATOM 1974 O ALA A 255 0.775 58.297 50.815 1.00 0.00 ATOM 1975 C ALA A 255 1.654 58.949 50.257 1.00 0.00 ATOM 1976 N ASN A 256 1.416 60.153 49.744 1.00 0.00 ATOM 1977 CA ASN A 256 0.099 60.780 49.809 1.00 0.00 ATOM 1978 CB ASN A 256 0.006 61.799 50.943 1.00 0.00 ATOM 1979 CG ASN A 256 1.086 62.856 50.884 1.00 0.00 ATOM 1980 ND2 ASN A 256 1.682 63.102 52.046 1.00 0.00 ATOM 1981 OD1 ASN A 256 1.367 63.423 49.822 1.00 0.00 ATOM 1982 O ASN A 256 0.656 61.237 47.564 1.00 0.00 ATOM 1983 C ASN A 256 -0.196 61.407 48.449 1.00 0.00 ATOM 1984 N TYR A 257 -1.342 62.043 48.276 1.00 0.00 ATOM 1985 CA TYR A 257 -1.683 62.594 46.955 1.00 0.00 ATOM 1986 CB TYR A 257 -3.185 62.895 46.850 1.00 0.00 ATOM 1987 CG TYR A 257 -4.057 61.747 46.392 1.00 0.00 ATOM 1988 CD1 TYR A 257 -4.450 60.718 47.223 1.00 0.00 ATOM 1989 CD2 TYR A 257 -4.522 61.680 45.078 1.00 0.00 ATOM 1990 CE1 TYR A 257 -5.248 59.658 46.821 1.00 0.00 ATOM 1991 CE2 TYR A 257 -5.320 60.638 44.663 1.00 0.00 ATOM 1992 CZ TYR A 257 -5.696 59.622 45.506 1.00 0.00 ATOM 1993 OH TYR A 257 -6.496 58.607 45.057 1.00 0.00 ATOM 1994 O TYR A 257 -1.058 64.367 45.487 1.00 0.00 ATOM 1995 C TYR A 257 -0.878 63.823 46.587 1.00 0.00 ATOM 1996 N GLU A 258 0.035 64.335 47.411 1.00 0.00 ATOM 1997 CA GLU A 258 0.981 65.354 46.994 1.00 0.00 ATOM 1998 CB GLU A 258 1.924 65.802 48.120 1.00 0.00 ATOM 1999 CG GLU A 258 1.305 66.659 49.208 1.00 0.00 ATOM 2000 CD GLU A 258 0.686 67.950 48.704 1.00 0.00 ATOM 2001 OE1 GLU A 258 1.165 68.530 47.696 1.00 0.00 ATOM 2002 OE2 GLU A 258 -0.310 68.402 49.317 1.00 0.00 ATOM 2003 O GLU A 258 2.418 65.575 45.068 1.00 0.00 ATOM 2004 C GLU A 258 1.852 64.815 45.848 1.00 0.00 ATOM 2005 N SER A 259 1.970 63.505 45.738 1.00 0.00 ATOM 2006 CA SER A 259 2.730 62.811 44.716 1.00 0.00 ATOM 2007 CB SER A 259 2.956 61.351 45.095 1.00 0.00 ATOM 2008 OG SER A 259 1.745 60.614 45.005 1.00 0.00 ATOM 2009 O SER A 259 2.606 62.477 42.333 1.00 0.00 ATOM 2010 C SER A 259 2.021 62.854 43.355 1.00 0.00 ATOM 2011 N LEU A 260 0.785 63.326 43.363 1.00 0.00 ATOM 2012 CA LEU A 260 -0.079 63.444 42.202 1.00 0.00 ATOM 2013 CB LEU A 260 -1.269 62.482 42.330 1.00 0.00 ATOM 2014 CG LEU A 260 -0.936 60.987 42.321 1.00 0.00 ATOM 2015 CD1 LEU A 260 -2.178 60.177 42.664 1.00 0.00 ATOM 2016 CD2 LEU A 260 -0.333 60.576 40.982 1.00 0.00 ATOM 2017 O LEU A 260 -1.643 65.019 41.313 1.00 0.00 ATOM 2018 C LEU A 260 -0.630 64.847 41.989 1.00 0.00 ATOM 2019 N ALA A 261 0.027 65.857 42.535 1.00 0.00 ATOM 2020 CA ALA A 261 -0.366 67.236 42.428 1.00 0.00 ATOM 2021 CB ALA A 261 0.477 68.129 43.303 1.00 0.00 ATOM 2022 O ALA A 261 0.682 67.294 40.273 1.00 0.00 ATOM 2023 C ALA A 261 -0.262 67.687 40.961 1.00 0.00 ATOM 2024 N MET A 262 -1.249 68.462 40.596 1.00 0.00 ATOM 2025 CA MET A 262 -1.531 68.971 39.265 1.00 0.00 ATOM 2026 CB MET A 262 -3.057 68.934 39.040 1.00 0.00 ATOM 2027 CG MET A 262 -3.391 67.533 38.508 1.00 0.00 ATOM 2028 SD MET A 262 -5.097 67.074 38.720 1.00 0.00 ATOM 2029 CE MET A 262 -5.925 68.078 37.498 1.00 0.00 ATOM 2030 O MET A 262 -1.275 71.387 39.601 1.00 0.00 ATOM 2031 C MET A 262 -0.964 70.351 38.995 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 T0325.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0325)V19.C and (T0325)K28.C only 0.000 apart, marking (T0325)K28.C as missing WARNING: atoms too close: (T0325)T20.N and (T0325)R29.N only 0.000 apart, marking (T0325)T20.N as missing WARNING: atoms too close: (T0325)T20.CA and (T0325)R29.CA only 0.000 apart, marking (T0325)T20.CA as missing WARNING: atoms too close: (T0325)I53.C and (T0325)A55.C only 0.000 apart, marking (T0325)A55.C as missing WARNING: atoms too close: (T0325)S54.N and (T0325)P56.N only 0.000 apart, marking (T0325)S54.N as missing WARNING: atoms too close: (T0325)S54.CA and (T0325)P56.CA only 0.000 apart, marking (T0325)S54.CA as missing WARNING: atoms too close: (T0325)H63.C and (T0325)K72.C only 0.000 apart, marking (T0325)K72.C as missing WARNING: atoms too close: (T0325)L64.N and (T0325)P73.N only 0.000 apart, marking (T0325)L64.N as missing WARNING: atoms too close: (T0325)L64.CA and (T0325)P73.CA only 0.000 apart, marking (T0325)L64.CA as missing WARNING: atoms too close: (T0325)R77.C and (T0325)D85.C only 0.000 apart, marking (T0325)D85.C as missing WARNING: atoms too close: (T0325)E78.N and (T0325)E86.N only 0.000 apart, marking (T0325)E78.N as missing WARNING: atoms too close: (T0325)E78.CA and (T0325)E86.CA only 0.000 apart, marking (T0325)E78.CA as missing WARNING: atoms too close: (T0325)Q93.C and (T0325)E97.C only 0.000 apart, marking (T0325)E97.C as missing WARNING: atoms too close: (T0325)S94.N and (T0325)E98.N only 0.000 apart, marking (T0325)S94.N as missing WARNING: atoms too close: (T0325)S94.CA and (T0325)E98.CA only 0.000 apart, marking (T0325)S94.CA as missing WARNING: atoms too close: (T0325)S160.C and (T0325)D165.C only 0.000 apart, marking (T0325)D165.C as missing WARNING: atoms too close: (T0325)I161.N and (T0325)Y166.N only 0.000 apart, marking (T0325)I161.N as missing WARNING: atoms too close: (T0325)I161.CA and (T0325)Y166.CA only 0.000 apart, marking (T0325)I161.CA as missing WARNING: atoms too close: (T0325)P214.C and (T0325)I217.C only 0.000 apart, marking (T0325)I217.C as missing WARNING: atoms too close: (T0325)A215.N and (T0325)D218.N only 0.000 apart, marking (T0325)A215.N as missing WARNING: atoms too close: (T0325)A215.CA and (T0325)D218.CA only 0.000 apart, marking (T0325)A215.CA as missing WARNING: atoms too close: (T0325)I220.C and (T0325)M229.C only 0.000 apart, marking (T0325)M229.C as missing WARNING: atoms too close: (T0325)L221.N and (T0325)P230.N only 0.000 apart, marking (T0325)L221.N as missing WARNING: atoms too close: (T0325)L221.CA and (T0325)P230.CA only 0.000 apart, marking (T0325)L221.CA as missing WARNING: atoms too close: (T0325)E236.C and (T0325)Q241.C only 0.000 apart, marking (T0325)Q241.C as missing WARNING: atoms too close: (T0325)I237.N and (T0325)E242.N only 0.000 apart, marking (T0325)I237.N as missing WARNING: atoms too close: (T0325)I237.CA and (T0325)E242.CA only 0.000 apart, marking (T0325)I237.CA as missing # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:Warning: Couldn't open file decoys/align1.gdt for output # fraction of real conformation used = 0.746 # GDT_score = -39.327 # GDT_score(maxd=8.000,maxw=2.900)= -39.607 # GDT_score(maxd=8.000,maxw=3.200)= -37.473 # GDT_score(maxd=8.000,maxw=3.500)= -35.485 # GDT_score(maxd=10.000,maxw=3.800)= -38.099 # GDT_score(maxd=10.000,maxw=4.000)= -36.795 # GDT_score(maxd=10.000,maxw=4.200)= -35.498 # GDT_score(maxd=12.000,maxw=4.300)= -38.458 # GDT_score(maxd=12.000,maxw=4.500)= -37.156 # GDT_score(maxd=12.000,maxw=4.700)= -35.914 # GDT_score(maxd=14.000,maxw=5.200)= -35.788 # GDT_score(maxd=14.000,maxw=5.500)= -34.090 # command:# ReadConformPDB reading from PDB file T0325.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0325)D12.C and (T0325)F13.C only 0.000 apart, marking (T0325)F13.C as missing WARNING: atoms too close: (T0325)F13.N and (T0325)G14.N only 0.000 apart, marking (T0325)F13.N as missing WARNING: atoms too close: (T0325)F13.CA and (T0325)G14.CA only 0.000 apart, marking (T0325)F13.CA as missing WARNING: atoms too close: (T0325)A37.C and (T0325)L38.C only 0.000 apart, marking (T0325)L38.C as missing WARNING: atoms too close: (T0325)L38.N and (T0325)P39.N only 0.000 apart, marking (T0325)L38.N as missing WARNING: atoms too close: (T0325)L38.CA and (T0325)P39.CA only 0.000 apart, marking (T0325)L38.CA as missing WARNING: atoms too close: (T0325)I53.C and (T0325)A55.C only 0.000 apart, marking (T0325)A55.C as missing WARNING: atoms too close: (T0325)S54.N and (T0325)P56.N only 0.000 apart, marking (T0325)S54.N as missing WARNING: atoms too close: (T0325)S54.CA and (T0325)P56.CA only 0.000 apart, marking (T0325)S54.CA as missing WARNING: atoms too close: (T0325)H63.C and (T0325)I74.C only 0.000 apart, marking (T0325)I74.C as missing WARNING: atoms too close: (T0325)L64.N and (T0325)L75.N only 0.000 apart, marking (T0325)L64.N as missing WARNING: atoms too close: (T0325)L64.CA and (T0325)L75.CA only 0.000 apart, marking (T0325)L64.CA as missing WARNING: atoms too close: (T0325)P81.C and (T0325)E97.C only 0.000 apart, marking (T0325)E97.C as missing WARNING: atoms too close: (T0325)S82.N and (T0325)E98.N only 0.000 apart, marking (T0325)S82.N as missing WARNING: atoms too close: (T0325)S82.CA and (T0325)E98.CA only 0.000 apart, marking (T0325)S82.CA as missing WARNING: atoms too close: (T0325)I126.C and (T0325)N131.C only 0.000 apart, marking (T0325)N131.C as missing WARNING: atoms too close: (T0325)D127.N and (T0325)V132.N only 0.000 apart, marking (T0325)D127.N as missing WARNING: atoms too close: (T0325)D127.CA and (T0325)V132.CA only 0.000 apart, marking (T0325)D127.CA as missing WARNING: atoms too close: (T0325)S160.C and (T0325)Y170.C only 0.000 apart, marking (T0325)Y170.C as missing WARNING: atoms too close: (T0325)I161.N and (T0325)Q171.N only 0.000 apart, marking (T0325)I161.N as missing WARNING: atoms too close: (T0325)I161.CA and (T0325)Q171.CA only 0.000 apart, marking (T0325)I161.CA as missing WARNING: atoms too close: (T0325)L180.C and (T0325)E191.C only 0.000 apart, marking (T0325)E191.C as missing WARNING: atoms too close: (T0325)Y181.N and (T0325)T192.N only 0.000 apart, marking (T0325)Y181.N as missing WARNING: atoms too close: (T0325)Y181.CA and (T0325)T192.CA only 0.000 apart, marking (T0325)Y181.CA as missing WARNING: atoms too close: (T0325)I220.C and (T0325)V235.C only 0.000 apart, marking (T0325)V235.C as missing WARNING: atoms too close: (T0325)L221.N and (T0325)E236.N only 0.000 apart, marking (T0325)L221.N as missing WARNING: atoms too close: (T0325)L221.CA and (T0325)E236.CA only 0.000 apart, marking (T0325)L221.CA as missing WARNING: atoms too close: (T0325)T239.C and (T0325)Q241.C only 0.000 apart, marking (T0325)Q241.C as missing WARNING: atoms too close: (T0325)S240.N and (T0325)E242.N only 0.000 apart, marking (T0325)S240.N as missing WARNING: atoms too close: (T0325)S240.CA and (T0325)E242.CA only 0.000 apart, marking (T0325)S240.CA as missing # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:Warning: Couldn't open file decoys/align2.gdt for output # fraction of real conformation used = 0.712 # GDT_score = -32.308 # GDT_score(maxd=8.000,maxw=2.900)= -32.167 # GDT_score(maxd=8.000,maxw=3.200)= -29.774 # GDT_score(maxd=8.000,maxw=3.500)= -27.681 # GDT_score(maxd=10.000,maxw=3.800)= -30.722 # GDT_score(maxd=10.000,maxw=4.000)= -29.420 # GDT_score(maxd=10.000,maxw=4.200)= -28.217 # GDT_score(maxd=12.000,maxw=4.300)= -31.389 # GDT_score(maxd=12.000,maxw=4.500)= -30.175 # GDT_score(maxd=12.000,maxw=4.700)= -29.055 # GDT_score(maxd=14.000,maxw=5.200)= -29.283 # GDT_score(maxd=14.000,maxw=5.500)= -27.861 # command:# ReadConformPDB reading from PDB file T0325.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0325)R52.C and (T0325)S54.C only 0.000 apart, marking (T0325)S54.C as missing WARNING: atoms too close: (T0325)I53.N and (T0325)A55.N only 0.000 apart, marking (T0325)I53.N as missing WARNING: atoms too close: (T0325)I53.CA and (T0325)A55.CA only 0.000 apart, marking (T0325)I53.CA as missing WARNING: atoms too close: (T0325)H63.C and (T0325)L66.C only 0.000 apart, marking (T0325)L66.C as missing WARNING: atoms too close: (T0325)L64.N and (T0325)T67.N only 0.000 apart, marking (T0325)L64.N as missing WARNING: atoms too close: (T0325)L64.CA and (T0325)T67.CA only 0.000 apart, marking (T0325)L64.CA as missing WARNING: atoms too close: (T0325)T67.C and (T0325)I74.C only 0.000 apart, marking (T0325)I74.C as missing WARNING: atoms too close: (T0325)L68.N and (T0325)L75.N only 0.000 apart, marking (T0325)L68.N as missing WARNING: atoms too close: (T0325)L68.CA and (T0325)L75.CA only 0.000 apart, marking (T0325)L68.CA as missing WARNING: atoms too close: (T0325)E78.C and (T0325)P81.C only 0.000 apart, marking (T0325)P81.C as missing WARNING: atoms too close: (T0325)M79.N and (T0325)S82.N only 0.000 apart, marking (T0325)M79.N as missing WARNING: atoms too close: (T0325)M79.CA and (T0325)S82.CA only 0.000 apart, marking (T0325)M79.CA as missing WARNING: atoms too close: (T0325)S128.C and (T0325)H129.C only 0.000 apart, marking (T0325)H129.C as missing WARNING: atoms too close: (T0325)H129.N and (T0325)H130.N only 0.000 apart, marking (T0325)H129.N as missing WARNING: atoms too close: (T0325)H129.CA and (T0325)H130.CA only 0.000 apart, marking (T0325)H129.CA as missing WARNING: atoms too close: (T0325)H133.C and (T0325)G134.C only 0.000 apart, marking (T0325)G134.C as missing WARNING: atoms too close: (T0325)G134.N and (T0325)K135.N only 0.000 apart, marking (T0325)G134.N as missing WARNING: atoms too close: (T0325)G134.CA and (T0325)K135.CA only 0.000 apart, marking (T0325)G134.CA as missing WARNING: atoms too close: (T0325)V142.C and (T0325)Q151.C only 0.000 apart, marking (T0325)Q151.C as missing WARNING: atoms too close: (T0325)A143.N and (T0325)L152.N only 0.000 apart, marking (T0325)A143.N as missing WARNING: atoms too close: (T0325)A143.CA and (T0325)L152.CA only 0.000 apart, marking (T0325)A143.CA as missing WARNING: atoms too close: (T0325)R159.C and (T0325)V173.C only 0.000 apart, marking (T0325)V173.C as missing WARNING: atoms too close: (T0325)S160.N and (T0325)R174.N only 0.000 apart, marking (T0325)S160.N as missing WARNING: atoms too close: (T0325)S160.CA and (T0325)R174.CA only 0.000 apart, marking (T0325)S160.CA as missing WARNING: atoms too close: (T0325)D177.C and (T0325)Q182.C only 0.000 apart, marking (T0325)Q182.C as missing WARNING: atoms too close: (T0325)E178.N and (T0325)F183.N only 0.000 apart, marking (T0325)E178.N as missing WARNING: atoms too close: (T0325)E178.CA and (T0325)F183.CA only 0.000 apart, marking (T0325)E178.CA as missing WARNING: atoms too close: (T0325)T219.C and (T0325)C228.C only 0.000 apart, marking (T0325)C228.C as missing WARNING: atoms too close: (T0325)I220.N and (T0325)M229.N only 0.000 apart, marking (T0325)I220.N as missing WARNING: atoms too close: (T0325)I220.CA and (T0325)M229.CA only 0.000 apart, marking (T0325)I220.CA as missing WARNING: atoms too close: (T0325)E236.C and (T0325)Q241.C only 0.000 apart, marking (T0325)Q241.C as missing WARNING: atoms too close: (T0325)I237.N and (T0325)E242.N only 0.000 apart, marking (T0325)I237.N as missing WARNING: atoms too close: (T0325)I237.CA and (T0325)E242.CA only 0.000 apart, marking (T0325)I237.CA as missing # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0325.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0325)L68.C and (T0325)N69.C only 0.000 apart, marking (T0325)N69.C as missing WARNING: atoms too close: (T0325)N69.N and (T0325)Q70.N only 0.000 apart, marking (T0325)N69.N as missing WARNING: atoms too close: (T0325)N69.CA and (T0325)Q70.CA only 0.000 apart, marking (T0325)N69.CA as missing WARNING: atoms too close: (T0325)H92.C and (T0325)E97.C only 0.000 apart, marking (T0325)E97.C as missing WARNING: atoms too close: (T0325)Q93.N and (T0325)E98.N only 0.000 apart, marking (T0325)Q93.N as missing WARNING: atoms too close: (T0325)Q93.CA and (T0325)E98.CA only 0.000 apart, marking (T0325)Q93.CA as missing WARNING: atoms too close: (T0325)A111.C and (T0325)S115.C only 0.000 apart, marking (T0325)S115.C as missing WARNING: atoms too close: (T0325)Q112.N and (T0325)F116.N only 0.000 apart, marking (T0325)Q112.N as missing WARNING: atoms too close: (T0325)Q112.CA and (T0325)F116.CA only 0.000 apart, marking (T0325)Q112.CA as missing WARNING: atoms too close: (T0325)S128.C and (T0325)G134.C only 0.000 apart, marking (T0325)G134.C as missing WARNING: atoms too close: (T0325)H129.N and (T0325)K135.N only 0.000 apart, marking (T0325)H129.N as missing WARNING: atoms too close: (T0325)H129.CA and (T0325)K135.CA only 0.000 apart, marking (T0325)H129.CA as missing WARNING: atoms too close: (T0325)K137.C and (T0325)L139.C only 0.000 apart, marking (T0325)L139.C as missing WARNING: atoms too close: (T0325)K138.N and (T0325)L140.N only 0.000 apart, marking (T0325)K138.N as missing WARNING: atoms too close: (T0325)K138.CA and (T0325)L140.CA only 0.000 apart, marking (T0325)K138.CA as missing WARNING: atoms too close: (T0325)E191.C and (T0325)Q195.C only 0.000 apart, marking (T0325)Q195.C as missing WARNING: atoms too close: (T0325)T192.N and (T0325)L196.N only 0.000 apart, marking (T0325)T192.N as missing WARNING: atoms too close: (T0325)T192.CA and (T0325)L196.CA only 0.000 apart, marking (T0325)T192.CA as missing WARNING: atoms too close: (T0325)E204.C and (T0325)V207.C only 0.000 apart, marking (T0325)V207.C as missing WARNING: atoms too close: (T0325)G205.N and (T0325)F208.N only 0.000 apart, marking (T0325)G205.N as missing WARNING: atoms too close: (T0325)G205.CA and (T0325)F208.CA only 0.000 apart, marking (T0325)G205.CA as missing WARNING: atoms too close: (T0325)M229.C and (T0325)E236.C only 0.000 apart, marking (T0325)E236.C as missing WARNING: atoms too close: (T0325)P230.N and (T0325)I237.N only 0.000 apart, marking (T0325)P230.N as missing WARNING: atoms too close: (T0325)P230.CA and (T0325)I237.CA only 0.000 apart, marking (T0325)P230.CA as missing # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0325.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0325)I24.C and (T0325)G30.C only 0.000 apart, marking (T0325)G30.C as missing WARNING: atoms too close: (T0325)E25.N and (T0325)V31.N only 0.000 apart, marking (T0325)E25.N as missing WARNING: atoms too close: (T0325)E25.CA and (T0325)V31.CA only 0.000 apart, marking (T0325)E25.CA as missing WARNING: atoms too close: (T0325)R52.C and (T0325)I53.C only 0.000 apart, marking (T0325)I53.C as missing WARNING: atoms too close: (T0325)I53.N and (T0325)S54.N only 0.000 apart, marking (T0325)I53.N as missing WARNING: atoms too close: (T0325)I53.CA and (T0325)S54.CA only 0.000 apart, marking (T0325)I53.CA as missing WARNING: atoms too close: (T0325)A55.C and (T0325)P56.C only 0.000 apart, marking (T0325)P56.C as missing WARNING: atoms too close: (T0325)P56.N and (T0325)T57.N only 0.000 apart, marking (T0325)P56.N as missing WARNING: atoms too close: (T0325)P56.CA and (T0325)T57.CA only 0.000 apart, marking (T0325)P56.CA as missing WARNING: atoms too close: (T0325)H63.C and (T0325)K72.C only 0.000 apart, marking (T0325)K72.C as missing WARNING: atoms too close: (T0325)L64.N and (T0325)P73.N only 0.000 apart, marking (T0325)L64.N as missing WARNING: atoms too close: (T0325)L64.CA and (T0325)P73.CA only 0.000 apart, marking (T0325)L64.CA as missing WARNING: atoms too close: (T0325)H133.C and (T0325)G134.C only 0.000 apart, marking (T0325)G134.C as missing WARNING: atoms too close: (T0325)G134.N and (T0325)K135.N only 0.000 apart, marking (T0325)G134.N as missing WARNING: atoms too close: (T0325)G134.CA and (T0325)K135.CA only 0.000 apart, marking (T0325)G134.CA as missing WARNING: atoms too close: (T0325)K186.C and (T0325)A187.C only 0.000 apart, marking (T0325)A187.C as missing WARNING: atoms too close: (T0325)A187.N and (T0325)I188.N only 0.000 apart, marking (T0325)A187.N as missing WARNING: atoms too close: (T0325)A187.CA and (T0325)I188.CA only 0.000 apart, marking (T0325)A187.CA as missing WARNING: atoms too close: (T0325)I220.C and (T0325)C228.C only 0.000 apart, marking (T0325)C228.C as missing WARNING: atoms too close: (T0325)L221.N and (T0325)M229.N only 0.000 apart, marking (T0325)L221.N as missing WARNING: atoms too close: (T0325)L221.CA and (T0325)M229.CA only 0.000 apart, marking (T0325)L221.CA as missing WARNING: atoms too close: (T0325)I232.C and (T0325)Q241.C only 0.000 apart, marking (T0325)Q241.C as missing WARNING: atoms too close: (T0325)R233.N and (T0325)E242.N only 0.000 apart, marking (T0325)R233.N as missing WARNING: atoms too close: (T0325)R233.CA and (T0325)E242.CA only 0.000 apart, marking (T0325)R233.CA as missing # WARNING: incomplete conformation T0325 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 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # Found a chain break before 259 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 236 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try1-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 T0325.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 251 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 251 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try10-opt2.gromacs0.pdb.gz looking for model 1 Error: Reading chain from PDB file T0325.try10-opt2.gromacs0.pdb.gz failed. # ReadConformPDB reading from PDB file T0325.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 251 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 251 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try11-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 251 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 261 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try11-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 261 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 251 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 251 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 259 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 259 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try12-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 259 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try13-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 236 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try13-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 236 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try13-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 T0325.try14-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 240 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try14-opt1.pdb.gz looking for model 1 # Found a chain break before 240 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try14-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 226 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try14-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 226 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try14-opt2.pdb.gz looking for model 1 # Found a chain break before 253 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try14-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 253 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try15-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try15-opt1.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try15-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 236 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try15-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 236 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try15-opt2.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try15-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 T0325.try16-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try16-opt1-scwrl.pdb.original.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try16-opt1.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try16-opt1.pdb.original.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try16-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 236 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try16-opt2.gromacs0.pdb.original.gz looking for model 1 # Found a chain break before 236 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try16-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 236 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try16-opt2.gromacs0.repack-nonPC.pdb.original.gz looking for model 1 # Found a chain break before 236 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try16-opt2.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try16-opt2.pdb.original.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try16-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 T0325.try16-opt2.repack-nonPC.pdb.original.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try17-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try17-opt1.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try17-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 236 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try17-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 236 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try17-opt2.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try17-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 T0325.try18-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 255 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try18-opt1.pdb.gz looking for model 1 # Found a chain break before 255 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try18-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 254 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try18-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 254 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try18-opt2.pdb.gz looking for model 1 # Found a chain break before 257 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try18-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 257 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try19-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try19-opt1.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try19-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 228 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try19-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 228 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try19-opt2.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try19-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 T0325.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 247 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 247 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 247 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 247 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try2-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 T0325.try20-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 253 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try20-opt1.pdb.gz looking for model 1 # Found a chain break before 253 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try20-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 252 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try20-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 252 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try20-opt2.pdb.gz looking for model 1 # Found a chain break before 256 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try20-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 256 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try21-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try21-opt1.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try21-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try21-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try21-opt2.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try21-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 T0325.try22-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try22-opt1.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try22-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 236 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try22-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 236 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try22-opt2.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try22-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 T0325.try23-opt1.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try23-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 236 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try23-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 236 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try23-opt2.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try23-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 T0325.try24-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try24-opt1.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try24-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try24-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try24-opt2.pdb.gz looking for model 1 # Found a chain break before 255 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try24-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 255 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try25-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try25-opt1.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try25-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 236 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try25-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 236 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try25-opt2.pdb.gz looking for model 1 # Found a chain break before 256 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try25-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 256 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try26-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 255 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try26-opt1.pdb.gz looking for model 1 # Found a chain break before 255 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try26-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try26-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try26-opt2.pdb.gz looking for model 1 # Found a chain break before 255 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try26-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 255 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try27-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 256 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try27-opt1.pdb.gz looking for model 1 # Found a chain break before 256 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try27-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 236 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try27-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 236 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try27-opt2.pdb.gz looking for model 1 # Found a chain break before 256 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try27-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 256 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 253 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 253 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 241 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 253 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 253 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 246 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 246 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 246 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 246 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 254 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 254 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 236 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 254 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 254 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 251 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 251 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 251 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 251 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 251 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 251 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 251 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 254 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 257 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 257 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 257 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 257 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 251 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 254 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 254 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 242 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0325.try9-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 servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1542072124.pdb -s /var/tmp/to_scwrl_1542072124.seq -o /var/tmp/from_scwrl_1542072124.pdb > /var/tmp/scwrl_1542072124.log sh: /var/tmp/scwrl_1542072124.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1542072124.pdb or /var/tmp/from_scwrl_1542072124.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1542072124_b.pdb or decoys//var/tmp/from_scwrl_1542072124_b.pdb.gz for input Trying /var/tmp/from_scwrl_1542072124_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1542072124_b.pdb or /var/tmp/from_scwrl_1542072124_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1542072124_a.pdb or decoys//var/tmp/from_scwrl_1542072124_a.pdb.gz for input Trying /var/tmp/from_scwrl_1542072124_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1542072124_a.pdb or /var/tmp/from_scwrl_1542072124_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1542072124.pdb or /var/tmp/from_scwrl_1542072124_b.pdb or /var/tmp/from_scwrl_1542072124_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 T0325 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_686331763.pdb -s /var/tmp/to_scwrl_686331763.seq -o /var/tmp/from_scwrl_686331763.pdb > /var/tmp/scwrl_686331763.log sh: /var/tmp/scwrl_686331763.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_686331763.pdb or /var/tmp/from_scwrl_686331763.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_686331763_b.pdb or decoys//var/tmp/from_scwrl_686331763_b.pdb.gz for input Trying /var/tmp/from_scwrl_686331763_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_686331763_b.pdb or /var/tmp/from_scwrl_686331763_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_686331763_a.pdb or decoys//var/tmp/from_scwrl_686331763_a.pdb.gz for input Trying /var/tmp/from_scwrl_686331763_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_686331763_a.pdb or /var/tmp/from_scwrl_686331763_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_686331763.pdb or /var/tmp/from_scwrl_686331763_b.pdb or /var/tmp/from_scwrl_686331763_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 T0325 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_720934016.pdb -s /var/tmp/to_scwrl_720934016.seq -o /var/tmp/from_scwrl_720934016.pdb > /var/tmp/scwrl_720934016.log sh: /var/tmp/scwrl_720934016.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_720934016.pdb or /var/tmp/from_scwrl_720934016.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_720934016_b.pdb or decoys//var/tmp/from_scwrl_720934016_b.pdb.gz for input Trying /var/tmp/from_scwrl_720934016_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_720934016_b.pdb or /var/tmp/from_scwrl_720934016_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_720934016_a.pdb or decoys//var/tmp/from_scwrl_720934016_a.pdb.gz for input Trying /var/tmp/from_scwrl_720934016_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_720934016_a.pdb or /var/tmp/from_scwrl_720934016_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_720934016.pdb or /var/tmp/from_scwrl_720934016_b.pdb or /var/tmp/from_scwrl_720934016_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 T0325 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_752061535.pdb -s /var/tmp/to_scwrl_752061535.seq -o /var/tmp/from_scwrl_752061535.pdb > /var/tmp/scwrl_752061535.log sh: /var/tmp/scwrl_752061535.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_752061535.pdb or /var/tmp/from_scwrl_752061535.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_752061535_b.pdb or decoys//var/tmp/from_scwrl_752061535_b.pdb.gz for input Trying /var/tmp/from_scwrl_752061535_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_752061535_b.pdb or /var/tmp/from_scwrl_752061535_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_752061535_a.pdb or decoys//var/tmp/from_scwrl_752061535_a.pdb.gz for input Trying /var/tmp/from_scwrl_752061535_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_752061535_a.pdb or /var/tmp/from_scwrl_752061535_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_752061535.pdb or /var/tmp/from_scwrl_752061535_b.pdb or /var/tmp/from_scwrl_752061535_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 T0325 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_684641838.pdb -s /var/tmp/to_scwrl_684641838.seq -o /var/tmp/from_scwrl_684641838.pdb > /var/tmp/scwrl_684641838.log sh: /var/tmp/scwrl_684641838.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_684641838.pdb or /var/tmp/from_scwrl_684641838.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_684641838_b.pdb or decoys//var/tmp/from_scwrl_684641838_b.pdb.gz for input Trying /var/tmp/from_scwrl_684641838_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_684641838_b.pdb or /var/tmp/from_scwrl_684641838_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_684641838_a.pdb or decoys//var/tmp/from_scwrl_684641838_a.pdb.gz for input Trying /var/tmp/from_scwrl_684641838_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_684641838_a.pdb or /var/tmp/from_scwrl_684641838_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_684641838.pdb or /var/tmp/from_scwrl_684641838_b.pdb or /var/tmp/from_scwrl_684641838_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 T0325 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1033130749.pdb -s /var/tmp/to_scwrl_1033130749.seq -o /var/tmp/from_scwrl_1033130749.pdb > /var/tmp/scwrl_1033130749.log sh: /var/tmp/scwrl_1033130749.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1033130749.pdb or /var/tmp/from_scwrl_1033130749.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1033130749_b.pdb or decoys//var/tmp/from_scwrl_1033130749_b.pdb.gz for input Trying /var/tmp/from_scwrl_1033130749_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1033130749_b.pdb or /var/tmp/from_scwrl_1033130749_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1033130749_a.pdb or decoys//var/tmp/from_scwrl_1033130749_a.pdb.gz for input Trying /var/tmp/from_scwrl_1033130749_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1033130749_a.pdb or /var/tmp/from_scwrl_1033130749_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1033130749.pdb or /var/tmp/from_scwrl_1033130749_b.pdb or /var/tmp/from_scwrl_1033130749_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 T0325 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_457950670.pdb -s /var/tmp/to_scwrl_457950670.seq -o /var/tmp/from_scwrl_457950670.pdb > /var/tmp/scwrl_457950670.log sh: /var/tmp/scwrl_457950670.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_457950670.pdb or /var/tmp/from_scwrl_457950670.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_457950670_b.pdb or decoys//var/tmp/from_scwrl_457950670_b.pdb.gz for input Trying /var/tmp/from_scwrl_457950670_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_457950670_b.pdb or /var/tmp/from_scwrl_457950670_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_457950670_a.pdb or decoys//var/tmp/from_scwrl_457950670_a.pdb.gz for input Trying /var/tmp/from_scwrl_457950670_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_457950670_a.pdb or /var/tmp/from_scwrl_457950670_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_457950670.pdb or /var/tmp/from_scwrl_457950670_b.pdb or /var/tmp/from_scwrl_457950670_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 T0325 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1805948136.pdb -s /var/tmp/to_scwrl_1805948136.seq -o /var/tmp/from_scwrl_1805948136.pdb > /var/tmp/scwrl_1805948136.log sh: /var/tmp/scwrl_1805948136.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1805948136.pdb or /var/tmp/from_scwrl_1805948136.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1805948136_b.pdb or decoys//var/tmp/from_scwrl_1805948136_b.pdb.gz for input Trying /var/tmp/from_scwrl_1805948136_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1805948136_b.pdb or /var/tmp/from_scwrl_1805948136_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1805948136_a.pdb or decoys//var/tmp/from_scwrl_1805948136_a.pdb.gz for input Trying /var/tmp/from_scwrl_1805948136_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1805948136_a.pdb or /var/tmp/from_scwrl_1805948136_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1805948136.pdb or /var/tmp/from_scwrl_1805948136_b.pdb or /var/tmp/from_scwrl_1805948136_a.pdb Error: no new SCWRL conformation added # naming current conformation 3D-JIGSAW_RECOM_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_680282692.pdb -s /var/tmp/to_scwrl_680282692.seq -o /var/tmp/from_scwrl_680282692.pdb > /var/tmp/scwrl_680282692.log sh: /var/tmp/scwrl_680282692.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_680282692.pdb or /var/tmp/from_scwrl_680282692.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_680282692_b.pdb or decoys//var/tmp/from_scwrl_680282692_b.pdb.gz for input Trying /var/tmp/from_scwrl_680282692_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_680282692_b.pdb or /var/tmp/from_scwrl_680282692_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_680282692_a.pdb or decoys//var/tmp/from_scwrl_680282692_a.pdb.gz for input Trying /var/tmp/from_scwrl_680282692_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_680282692_a.pdb or /var/tmp/from_scwrl_680282692_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_680282692.pdb or /var/tmp/from_scwrl_680282692_b.pdb or /var/tmp/from_scwrl_680282692_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 T0325 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1816898566.pdb -s /var/tmp/to_scwrl_1816898566.seq -o /var/tmp/from_scwrl_1816898566.pdb > /var/tmp/scwrl_1816898566.log sh: /var/tmp/scwrl_1816898566.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1816898566.pdb or /var/tmp/from_scwrl_1816898566.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1816898566_b.pdb or decoys//var/tmp/from_scwrl_1816898566_b.pdb.gz for input Trying /var/tmp/from_scwrl_1816898566_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1816898566_b.pdb or /var/tmp/from_scwrl_1816898566_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1816898566_a.pdb or decoys//var/tmp/from_scwrl_1816898566_a.pdb.gz for input Trying /var/tmp/from_scwrl_1816898566_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1816898566_a.pdb or /var/tmp/from_scwrl_1816898566_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1816898566.pdb or /var/tmp/from_scwrl_1816898566_b.pdb or /var/tmp/from_scwrl_1816898566_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 T0325 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_709982552.pdb -s /var/tmp/to_scwrl_709982552.seq -o /var/tmp/from_scwrl_709982552.pdb > /var/tmp/scwrl_709982552.log sh: /var/tmp/scwrl_709982552.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_709982552.pdb or /var/tmp/from_scwrl_709982552.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_709982552_b.pdb or decoys//var/tmp/from_scwrl_709982552_b.pdb.gz for input Trying /var/tmp/from_scwrl_709982552_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_709982552_b.pdb or /var/tmp/from_scwrl_709982552_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_709982552_a.pdb or decoys//var/tmp/from_scwrl_709982552_a.pdb.gz for input Trying /var/tmp/from_scwrl_709982552_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_709982552_a.pdb or /var/tmp/from_scwrl_709982552_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_709982552.pdb or /var/tmp/from_scwrl_709982552_b.pdb or /var/tmp/from_scwrl_709982552_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 T0325 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1662903368.pdb -s /var/tmp/to_scwrl_1662903368.seq -o /var/tmp/from_scwrl_1662903368.pdb > /var/tmp/scwrl_1662903368.log sh: /var/tmp/scwrl_1662903368.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1662903368.pdb or /var/tmp/from_scwrl_1662903368.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1662903368_b.pdb or decoys//var/tmp/from_scwrl_1662903368_b.pdb.gz for input Trying /var/tmp/from_scwrl_1662903368_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1662903368_b.pdb or /var/tmp/from_scwrl_1662903368_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1662903368_a.pdb or decoys//var/tmp/from_scwrl_1662903368_a.pdb.gz for input Trying /var/tmp/from_scwrl_1662903368_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1662903368_a.pdb or /var/tmp/from_scwrl_1662903368_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1662903368.pdb or /var/tmp/from_scwrl_1662903368_b.pdb or /var/tmp/from_scwrl_1662903368_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 T0325 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1110487902.pdb -s /var/tmp/to_scwrl_1110487902.seq -o /var/tmp/from_scwrl_1110487902.pdb > /var/tmp/scwrl_1110487902.log sh: /var/tmp/scwrl_1110487902.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1110487902.pdb or /var/tmp/from_scwrl_1110487902.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1110487902_b.pdb or decoys//var/tmp/from_scwrl_1110487902_b.pdb.gz for input Trying /var/tmp/from_scwrl_1110487902_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1110487902_b.pdb or /var/tmp/from_scwrl_1110487902_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1110487902_a.pdb or decoys//var/tmp/from_scwrl_1110487902_a.pdb.gz for input Trying /var/tmp/from_scwrl_1110487902_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1110487902_a.pdb or /var/tmp/from_scwrl_1110487902_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1110487902.pdb or /var/tmp/from_scwrl_1110487902_b.pdb or /var/tmp/from_scwrl_1110487902_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 222 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1078819829.pdb -s /var/tmp/to_scwrl_1078819829.seq -o /var/tmp/from_scwrl_1078819829.pdb > /var/tmp/scwrl_1078819829.log sh: /var/tmp/scwrl_1078819829.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1078819829.pdb or /var/tmp/from_scwrl_1078819829.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1078819829_b.pdb or decoys//var/tmp/from_scwrl_1078819829_b.pdb.gz for input Trying /var/tmp/from_scwrl_1078819829_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1078819829_b.pdb or /var/tmp/from_scwrl_1078819829_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1078819829_a.pdb or decoys//var/tmp/from_scwrl_1078819829_a.pdb.gz for input Trying /var/tmp/from_scwrl_1078819829_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1078819829_a.pdb or /var/tmp/from_scwrl_1078819829_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1078819829.pdb or /var/tmp/from_scwrl_1078819829_b.pdb or /var/tmp/from_scwrl_1078819829_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 204 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1997646735.pdb -s /var/tmp/to_scwrl_1997646735.seq -o /var/tmp/from_scwrl_1997646735.pdb > /var/tmp/scwrl_1997646735.log sh: /var/tmp/scwrl_1997646735.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1997646735.pdb or /var/tmp/from_scwrl_1997646735.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1997646735_b.pdb or decoys//var/tmp/from_scwrl_1997646735_b.pdb.gz for input Trying /var/tmp/from_scwrl_1997646735_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1997646735_b.pdb or /var/tmp/from_scwrl_1997646735_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1997646735_a.pdb or decoys//var/tmp/from_scwrl_1997646735_a.pdb.gz for input Trying /var/tmp/from_scwrl_1997646735_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1997646735_a.pdb or /var/tmp/from_scwrl_1997646735_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1997646735.pdb or /var/tmp/from_scwrl_1997646735_b.pdb or /var/tmp/from_scwrl_1997646735_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 198 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1065961488.pdb -s /var/tmp/to_scwrl_1065961488.seq -o /var/tmp/from_scwrl_1065961488.pdb > /var/tmp/scwrl_1065961488.log sh: /var/tmp/scwrl_1065961488.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1065961488.pdb or /var/tmp/from_scwrl_1065961488.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1065961488_b.pdb or decoys//var/tmp/from_scwrl_1065961488_b.pdb.gz for input Trying /var/tmp/from_scwrl_1065961488_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1065961488_b.pdb or /var/tmp/from_scwrl_1065961488_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1065961488_a.pdb or decoys//var/tmp/from_scwrl_1065961488_a.pdb.gz for input Trying /var/tmp/from_scwrl_1065961488_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1065961488_a.pdb or /var/tmp/from_scwrl_1065961488_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1065961488.pdb or /var/tmp/from_scwrl_1065961488_b.pdb or /var/tmp/from_scwrl_1065961488_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 190 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_20294844.pdb -s /var/tmp/to_scwrl_20294844.seq -o /var/tmp/from_scwrl_20294844.pdb > /var/tmp/scwrl_20294844.log sh: /var/tmp/scwrl_20294844.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_20294844.pdb or /var/tmp/from_scwrl_20294844.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_20294844_b.pdb or decoys//var/tmp/from_scwrl_20294844_b.pdb.gz for input Trying /var/tmp/from_scwrl_20294844_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_20294844_b.pdb or /var/tmp/from_scwrl_20294844_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_20294844_a.pdb or decoys//var/tmp/from_scwrl_20294844_a.pdb.gz for input Trying /var/tmp/from_scwrl_20294844_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_20294844_a.pdb or /var/tmp/from_scwrl_20294844_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_20294844.pdb or /var/tmp/from_scwrl_20294844_b.pdb or /var/tmp/from_scwrl_20294844_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 210 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1560528537.pdb -s /var/tmp/to_scwrl_1560528537.seq -o /var/tmp/from_scwrl_1560528537.pdb > /var/tmp/scwrl_1560528537.log sh: /var/tmp/scwrl_1560528537.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1560528537.pdb or /var/tmp/from_scwrl_1560528537.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1560528537_b.pdb or decoys//var/tmp/from_scwrl_1560528537_b.pdb.gz for input Trying /var/tmp/from_scwrl_1560528537_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1560528537_b.pdb or /var/tmp/from_scwrl_1560528537_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1560528537_a.pdb or decoys//var/tmp/from_scwrl_1560528537_a.pdb.gz for input Trying /var/tmp/from_scwrl_1560528537_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1560528537_a.pdb or /var/tmp/from_scwrl_1560528537_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1560528537.pdb or /var/tmp/from_scwrl_1560528537_b.pdb or /var/tmp/from_scwrl_1560528537_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 254 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1918551503.pdb -s /var/tmp/to_scwrl_1918551503.seq -o /var/tmp/from_scwrl_1918551503.pdb > /var/tmp/scwrl_1918551503.log sh: /var/tmp/scwrl_1918551503.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1918551503.pdb or /var/tmp/from_scwrl_1918551503.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1918551503_b.pdb or decoys//var/tmp/from_scwrl_1918551503_b.pdb.gz for input Trying /var/tmp/from_scwrl_1918551503_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1918551503_b.pdb or /var/tmp/from_scwrl_1918551503_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1918551503_a.pdb or decoys//var/tmp/from_scwrl_1918551503_a.pdb.gz for input Trying /var/tmp/from_scwrl_1918551503_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1918551503_a.pdb or /var/tmp/from_scwrl_1918551503_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1918551503.pdb or /var/tmp/from_scwrl_1918551503_b.pdb or /var/tmp/from_scwrl_1918551503_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 254 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_98232131.pdb -s /var/tmp/to_scwrl_98232131.seq -o /var/tmp/from_scwrl_98232131.pdb > /var/tmp/scwrl_98232131.log sh: /var/tmp/scwrl_98232131.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_98232131.pdb or /var/tmp/from_scwrl_98232131.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_98232131_b.pdb or decoys//var/tmp/from_scwrl_98232131_b.pdb.gz for input Trying /var/tmp/from_scwrl_98232131_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_98232131_b.pdb or /var/tmp/from_scwrl_98232131_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_98232131_a.pdb or decoys//var/tmp/from_scwrl_98232131_a.pdb.gz for input Trying /var/tmp/from_scwrl_98232131_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_98232131_a.pdb or /var/tmp/from_scwrl_98232131_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_98232131.pdb or /var/tmp/from_scwrl_98232131_b.pdb or /var/tmp/from_scwrl_98232131_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 236 ; scwrl3 -i /var/tmp/to_scwrl_1768892854.pdb -s /var/tmp/to_scwrl_1768892854.seq -o /var/tmp/from_scwrl_1768892854.pdb > /var/tmp/scwrl_1768892854.log sh: /var/tmp/scwrl_1768892854.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1768892854.pdb or /var/tmp/from_scwrl_1768892854.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1768892854_b.pdb or decoys//var/tmp/from_scwrl_1768892854_b.pdb.gz for input Trying /var/tmp/from_scwrl_1768892854_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1768892854_b.pdb or /var/tmp/from_scwrl_1768892854_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1768892854_a.pdb or decoys//var/tmp/from_scwrl_1768892854_a.pdb.gz for input Trying /var/tmp/from_scwrl_1768892854_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1768892854_a.pdb or /var/tmp/from_scwrl_1768892854_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1768892854.pdb or /var/tmp/from_scwrl_1768892854_b.pdb or /var/tmp/from_scwrl_1768892854_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 240 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_775969494.pdb -s /var/tmp/to_scwrl_775969494.seq -o /var/tmp/from_scwrl_775969494.pdb > /var/tmp/scwrl_775969494.log sh: /var/tmp/scwrl_775969494.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_775969494.pdb or /var/tmp/from_scwrl_775969494.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_775969494_b.pdb or decoys//var/tmp/from_scwrl_775969494_b.pdb.gz for input Trying /var/tmp/from_scwrl_775969494_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_775969494_b.pdb or /var/tmp/from_scwrl_775969494_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_775969494_a.pdb or decoys//var/tmp/from_scwrl_775969494_a.pdb.gz for input Trying /var/tmp/from_scwrl_775969494_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_775969494_a.pdb or /var/tmp/from_scwrl_775969494_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_775969494.pdb or /var/tmp/from_scwrl_775969494_b.pdb or /var/tmp/from_scwrl_775969494_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 209 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1808238036.pdb -s /var/tmp/to_scwrl_1808238036.seq -o /var/tmp/from_scwrl_1808238036.pdb > /var/tmp/scwrl_1808238036.log sh: /var/tmp/scwrl_1808238036.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1808238036.pdb or /var/tmp/from_scwrl_1808238036.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1808238036_b.pdb or decoys//var/tmp/from_scwrl_1808238036_b.pdb.gz for input Trying /var/tmp/from_scwrl_1808238036_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1808238036_b.pdb or /var/tmp/from_scwrl_1808238036_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1808238036_a.pdb or decoys//var/tmp/from_scwrl_1808238036_a.pdb.gz for input Trying /var/tmp/from_scwrl_1808238036_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1808238036_a.pdb or /var/tmp/from_scwrl_1808238036_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1808238036.pdb or /var/tmp/from_scwrl_1808238036_b.pdb or /var/tmp/from_scwrl_1808238036_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 236 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_2016545734.pdb -s /var/tmp/to_scwrl_2016545734.seq -o /var/tmp/from_scwrl_2016545734.pdb > /var/tmp/scwrl_2016545734.log sh: /var/tmp/scwrl_2016545734.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2016545734.pdb or /var/tmp/from_scwrl_2016545734.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2016545734_b.pdb or decoys//var/tmp/from_scwrl_2016545734_b.pdb.gz for input Trying /var/tmp/from_scwrl_2016545734_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2016545734_b.pdb or /var/tmp/from_scwrl_2016545734_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2016545734_a.pdb or decoys//var/tmp/from_scwrl_2016545734_a.pdb.gz for input Trying /var/tmp/from_scwrl_2016545734_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2016545734_a.pdb or /var/tmp/from_scwrl_2016545734_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2016545734.pdb or /var/tmp/from_scwrl_2016545734_b.pdb or /var/tmp/from_scwrl_2016545734_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 # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1284622106.pdb -s /var/tmp/to_scwrl_1284622106.seq -o /var/tmp/from_scwrl_1284622106.pdb > /var/tmp/scwrl_1284622106.log sh: /var/tmp/scwrl_1284622106.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1284622106.pdb or /var/tmp/from_scwrl_1284622106.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1284622106_b.pdb or decoys//var/tmp/from_scwrl_1284622106_b.pdb.gz for input Trying /var/tmp/from_scwrl_1284622106_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1284622106_b.pdb or /var/tmp/from_scwrl_1284622106_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1284622106_a.pdb or decoys//var/tmp/from_scwrl_1284622106_a.pdb.gz for input Trying /var/tmp/from_scwrl_1284622106_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1284622106_a.pdb or /var/tmp/from_scwrl_1284622106_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1284622106.pdb or /var/tmp/from_scwrl_1284622106_b.pdb or /var/tmp/from_scwrl_1284622106_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 # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1680514276.pdb -s /var/tmp/to_scwrl_1680514276.seq -o /var/tmp/from_scwrl_1680514276.pdb > /var/tmp/scwrl_1680514276.log sh: /var/tmp/scwrl_1680514276.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1680514276.pdb or /var/tmp/from_scwrl_1680514276.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1680514276_b.pdb or decoys//var/tmp/from_scwrl_1680514276_b.pdb.gz for input Trying /var/tmp/from_scwrl_1680514276_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1680514276_b.pdb or /var/tmp/from_scwrl_1680514276_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1680514276_a.pdb or decoys//var/tmp/from_scwrl_1680514276_a.pdb.gz for input Trying /var/tmp/from_scwrl_1680514276_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1680514276_a.pdb or /var/tmp/from_scwrl_1680514276_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1680514276.pdb or /var/tmp/from_scwrl_1680514276_b.pdb or /var/tmp/from_scwrl_1680514276_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 # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1939530709.pdb -s /var/tmp/to_scwrl_1939530709.seq -o /var/tmp/from_scwrl_1939530709.pdb > /var/tmp/scwrl_1939530709.log sh: /var/tmp/scwrl_1939530709.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1939530709.pdb or /var/tmp/from_scwrl_1939530709.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1939530709_b.pdb or decoys//var/tmp/from_scwrl_1939530709_b.pdb.gz for input Trying /var/tmp/from_scwrl_1939530709_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1939530709_b.pdb or /var/tmp/from_scwrl_1939530709_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1939530709_a.pdb or decoys//var/tmp/from_scwrl_1939530709_a.pdb.gz for input Trying /var/tmp/from_scwrl_1939530709_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1939530709_a.pdb or /var/tmp/from_scwrl_1939530709_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1939530709.pdb or /var/tmp/from_scwrl_1939530709_b.pdb or /var/tmp/from_scwrl_1939530709_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 # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_316442530.pdb -s /var/tmp/to_scwrl_316442530.seq -o /var/tmp/from_scwrl_316442530.pdb > /var/tmp/scwrl_316442530.log sh: /var/tmp/scwrl_316442530.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_316442530.pdb or /var/tmp/from_scwrl_316442530.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_316442530_b.pdb or decoys//var/tmp/from_scwrl_316442530_b.pdb.gz for input Trying /var/tmp/from_scwrl_316442530_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_316442530_b.pdb or /var/tmp/from_scwrl_316442530_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_316442530_a.pdb or decoys//var/tmp/from_scwrl_316442530_a.pdb.gz for input Trying /var/tmp/from_scwrl_316442530_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_316442530_a.pdb or /var/tmp/from_scwrl_316442530_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_316442530.pdb or /var/tmp/from_scwrl_316442530_b.pdb or /var/tmp/from_scwrl_316442530_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 178 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_745570425.pdb -s /var/tmp/to_scwrl_745570425.seq -o /var/tmp/from_scwrl_745570425.pdb > /var/tmp/scwrl_745570425.log sh: /var/tmp/scwrl_745570425.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_745570425.pdb or /var/tmp/from_scwrl_745570425.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_745570425_b.pdb or decoys//var/tmp/from_scwrl_745570425_b.pdb.gz for input Trying /var/tmp/from_scwrl_745570425_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_745570425_b.pdb or /var/tmp/from_scwrl_745570425_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_745570425_a.pdb or decoys//var/tmp/from_scwrl_745570425_a.pdb.gz for input Trying /var/tmp/from_scwrl_745570425_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_745570425_a.pdb or /var/tmp/from_scwrl_745570425_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_745570425.pdb or /var/tmp/from_scwrl_745570425_b.pdb or /var/tmp/from_scwrl_745570425_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 238 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1026041169.pdb -s /var/tmp/to_scwrl_1026041169.seq -o /var/tmp/from_scwrl_1026041169.pdb > /var/tmp/scwrl_1026041169.log sh: /var/tmp/scwrl_1026041169.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1026041169.pdb or /var/tmp/from_scwrl_1026041169.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1026041169_b.pdb or decoys//var/tmp/from_scwrl_1026041169_b.pdb.gz for input Trying /var/tmp/from_scwrl_1026041169_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1026041169_b.pdb or /var/tmp/from_scwrl_1026041169_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1026041169_a.pdb or decoys//var/tmp/from_scwrl_1026041169_a.pdb.gz for input Trying /var/tmp/from_scwrl_1026041169_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1026041169_a.pdb or /var/tmp/from_scwrl_1026041169_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1026041169.pdb or /var/tmp/from_scwrl_1026041169_b.pdb or /var/tmp/from_scwrl_1026041169_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 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1045133930.pdb -s /var/tmp/to_scwrl_1045133930.seq -o /var/tmp/from_scwrl_1045133930.pdb > /var/tmp/scwrl_1045133930.log sh: /var/tmp/scwrl_1045133930.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1045133930.pdb or /var/tmp/from_scwrl_1045133930.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1045133930_b.pdb or decoys//var/tmp/from_scwrl_1045133930_b.pdb.gz for input Trying /var/tmp/from_scwrl_1045133930_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1045133930_b.pdb or /var/tmp/from_scwrl_1045133930_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1045133930_a.pdb or decoys//var/tmp/from_scwrl_1045133930_a.pdb.gz for input Trying /var/tmp/from_scwrl_1045133930_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1045133930_a.pdb or /var/tmp/from_scwrl_1045133930_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1045133930.pdb or /var/tmp/from_scwrl_1045133930_b.pdb or /var/tmp/from_scwrl_1045133930_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 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_140158903.pdb -s /var/tmp/to_scwrl_140158903.seq -o /var/tmp/from_scwrl_140158903.pdb > /var/tmp/scwrl_140158903.log sh: /var/tmp/scwrl_140158903.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_140158903.pdb or /var/tmp/from_scwrl_140158903.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_140158903_b.pdb or decoys//var/tmp/from_scwrl_140158903_b.pdb.gz for input Trying /var/tmp/from_scwrl_140158903_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_140158903_b.pdb or /var/tmp/from_scwrl_140158903_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_140158903_a.pdb or decoys//var/tmp/from_scwrl_140158903_a.pdb.gz for input Trying /var/tmp/from_scwrl_140158903_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_140158903_a.pdb or /var/tmp/from_scwrl_140158903_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_140158903.pdb or /var/tmp/from_scwrl_140158903_b.pdb or /var/tmp/from_scwrl_140158903_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 # Found a chain break before 256 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1712372932.pdb -s /var/tmp/to_scwrl_1712372932.seq -o /var/tmp/from_scwrl_1712372932.pdb > /var/tmp/scwrl_1712372932.log sh: /var/tmp/scwrl_1712372932.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1712372932.pdb or /var/tmp/from_scwrl_1712372932.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1712372932_b.pdb or decoys//var/tmp/from_scwrl_1712372932_b.pdb.gz for input Trying /var/tmp/from_scwrl_1712372932_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1712372932_b.pdb or /var/tmp/from_scwrl_1712372932_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1712372932_a.pdb or decoys//var/tmp/from_scwrl_1712372932_a.pdb.gz for input Trying /var/tmp/from_scwrl_1712372932_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1712372932_a.pdb or /var/tmp/from_scwrl_1712372932_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1712372932.pdb or /var/tmp/from_scwrl_1712372932_b.pdb or /var/tmp/from_scwrl_1712372932_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 T0325 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1766067945.pdb -s /var/tmp/to_scwrl_1766067945.seq -o /var/tmp/from_scwrl_1766067945.pdb > /var/tmp/scwrl_1766067945.log sh: /var/tmp/scwrl_1766067945.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1766067945.pdb or /var/tmp/from_scwrl_1766067945.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1766067945_b.pdb or decoys//var/tmp/from_scwrl_1766067945_b.pdb.gz for input Trying /var/tmp/from_scwrl_1766067945_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1766067945_b.pdb or /var/tmp/from_scwrl_1766067945_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1766067945_a.pdb or decoys//var/tmp/from_scwrl_1766067945_a.pdb.gz for input Trying /var/tmp/from_scwrl_1766067945_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1766067945_a.pdb or /var/tmp/from_scwrl_1766067945_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1766067945.pdb or /var/tmp/from_scwrl_1766067945_b.pdb or /var/tmp/from_scwrl_1766067945_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 T0325 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_892220438.pdb -s /var/tmp/to_scwrl_892220438.seq -o /var/tmp/from_scwrl_892220438.pdb > /var/tmp/scwrl_892220438.log sh: /var/tmp/scwrl_892220438.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_892220438.pdb or /var/tmp/from_scwrl_892220438.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_892220438_b.pdb or decoys//var/tmp/from_scwrl_892220438_b.pdb.gz for input Trying /var/tmp/from_scwrl_892220438_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_892220438_b.pdb or /var/tmp/from_scwrl_892220438_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_892220438_a.pdb or decoys//var/tmp/from_scwrl_892220438_a.pdb.gz for input Trying /var/tmp/from_scwrl_892220438_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_892220438_a.pdb or /var/tmp/from_scwrl_892220438_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_892220438.pdb or /var/tmp/from_scwrl_892220438_b.pdb or /var/tmp/from_scwrl_892220438_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 T0325 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_249531123.pdb -s /var/tmp/to_scwrl_249531123.seq -o /var/tmp/from_scwrl_249531123.pdb > /var/tmp/scwrl_249531123.log sh: /var/tmp/scwrl_249531123.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_249531123.pdb or /var/tmp/from_scwrl_249531123.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_249531123_b.pdb or decoys//var/tmp/from_scwrl_249531123_b.pdb.gz for input Trying /var/tmp/from_scwrl_249531123_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_249531123_b.pdb or /var/tmp/from_scwrl_249531123_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_249531123_a.pdb or decoys//var/tmp/from_scwrl_249531123_a.pdb.gz for input Trying /var/tmp/from_scwrl_249531123_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_249531123_a.pdb or /var/tmp/from_scwrl_249531123_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_249531123.pdb or /var/tmp/from_scwrl_249531123_b.pdb or /var/tmp/from_scwrl_249531123_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: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_651715048.pdb -s /var/tmp/to_scwrl_651715048.seq -o /var/tmp/from_scwrl_651715048.pdb > /var/tmp/scwrl_651715048.log sh: /var/tmp/scwrl_651715048.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_651715048.pdb or /var/tmp/from_scwrl_651715048.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_651715048_b.pdb or decoys//var/tmp/from_scwrl_651715048_b.pdb.gz for input Trying /var/tmp/from_scwrl_651715048_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_651715048_b.pdb or /var/tmp/from_scwrl_651715048_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_651715048_a.pdb or decoys//var/tmp/from_scwrl_651715048_a.pdb.gz for input Trying /var/tmp/from_scwrl_651715048_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_651715048_a.pdb or /var/tmp/from_scwrl_651715048_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_651715048.pdb or /var/tmp/from_scwrl_651715048_b.pdb or /var/tmp/from_scwrl_651715048_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 T0325 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1350171108.pdb -s /var/tmp/to_scwrl_1350171108.seq -o /var/tmp/from_scwrl_1350171108.pdb > /var/tmp/scwrl_1350171108.log sh: /var/tmp/scwrl_1350171108.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1350171108.pdb or /var/tmp/from_scwrl_1350171108.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1350171108_b.pdb or decoys//var/tmp/from_scwrl_1350171108_b.pdb.gz for input Trying /var/tmp/from_scwrl_1350171108_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1350171108_b.pdb or /var/tmp/from_scwrl_1350171108_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1350171108_a.pdb or decoys//var/tmp/from_scwrl_1350171108_a.pdb.gz for input Trying /var/tmp/from_scwrl_1350171108_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1350171108_a.pdb or /var/tmp/from_scwrl_1350171108_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1350171108.pdb or /var/tmp/from_scwrl_1350171108_b.pdb or /var/tmp/from_scwrl_1350171108_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 T0325 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_2055479259.pdb -s /var/tmp/to_scwrl_2055479259.seq -o /var/tmp/from_scwrl_2055479259.pdb > /var/tmp/scwrl_2055479259.log sh: /var/tmp/scwrl_2055479259.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2055479259.pdb or /var/tmp/from_scwrl_2055479259.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2055479259_b.pdb or decoys//var/tmp/from_scwrl_2055479259_b.pdb.gz for input Trying /var/tmp/from_scwrl_2055479259_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2055479259_b.pdb or /var/tmp/from_scwrl_2055479259_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2055479259_a.pdb or decoys//var/tmp/from_scwrl_2055479259_a.pdb.gz for input Trying /var/tmp/from_scwrl_2055479259_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2055479259_a.pdb or /var/tmp/from_scwrl_2055479259_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2055479259.pdb or /var/tmp/from_scwrl_2055479259_b.pdb or /var/tmp/from_scwrl_2055479259_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 T0325 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1331997739.pdb -s /var/tmp/to_scwrl_1331997739.seq -o /var/tmp/from_scwrl_1331997739.pdb > /var/tmp/scwrl_1331997739.log sh: /var/tmp/scwrl_1331997739.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1331997739.pdb or /var/tmp/from_scwrl_1331997739.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1331997739_b.pdb or decoys//var/tmp/from_scwrl_1331997739_b.pdb.gz for input Trying /var/tmp/from_scwrl_1331997739_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1331997739_b.pdb or /var/tmp/from_scwrl_1331997739_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1331997739_a.pdb or decoys//var/tmp/from_scwrl_1331997739_a.pdb.gz for input Trying /var/tmp/from_scwrl_1331997739_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1331997739_a.pdb or /var/tmp/from_scwrl_1331997739_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1331997739.pdb or /var/tmp/from_scwrl_1331997739_b.pdb or /var/tmp/from_scwrl_1331997739_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 T0325 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1019586028.pdb -s /var/tmp/to_scwrl_1019586028.seq -o /var/tmp/from_scwrl_1019586028.pdb > /var/tmp/scwrl_1019586028.log sh: /var/tmp/scwrl_1019586028.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1019586028.pdb or /var/tmp/from_scwrl_1019586028.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1019586028_b.pdb or decoys//var/tmp/from_scwrl_1019586028_b.pdb.gz for input Trying /var/tmp/from_scwrl_1019586028_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1019586028_b.pdb or /var/tmp/from_scwrl_1019586028_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1019586028_a.pdb or decoys//var/tmp/from_scwrl_1019586028_a.pdb.gz for input Trying /var/tmp/from_scwrl_1019586028_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1019586028_a.pdb or /var/tmp/from_scwrl_1019586028_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1019586028.pdb or /var/tmp/from_scwrl_1019586028_b.pdb or /var/tmp/from_scwrl_1019586028_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 T0325 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_617978164.pdb -s /var/tmp/to_scwrl_617978164.seq -o /var/tmp/from_scwrl_617978164.pdb > /var/tmp/scwrl_617978164.log sh: /var/tmp/scwrl_617978164.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_617978164.pdb or /var/tmp/from_scwrl_617978164.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_617978164_b.pdb or decoys//var/tmp/from_scwrl_617978164_b.pdb.gz for input Trying /var/tmp/from_scwrl_617978164_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_617978164_b.pdb or /var/tmp/from_scwrl_617978164_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_617978164_a.pdb or decoys//var/tmp/from_scwrl_617978164_a.pdb.gz for input Trying /var/tmp/from_scwrl_617978164_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_617978164_a.pdb or /var/tmp/from_scwrl_617978164_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_617978164.pdb or /var/tmp/from_scwrl_617978164_b.pdb or /var/tmp/from_scwrl_617978164_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 T0325 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_847417462.pdb -s /var/tmp/to_scwrl_847417462.seq -o /var/tmp/from_scwrl_847417462.pdb > /var/tmp/scwrl_847417462.log sh: /var/tmp/scwrl_847417462.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_847417462.pdb or /var/tmp/from_scwrl_847417462.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_847417462_b.pdb or decoys//var/tmp/from_scwrl_847417462_b.pdb.gz for input Trying /var/tmp/from_scwrl_847417462_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_847417462_b.pdb or /var/tmp/from_scwrl_847417462_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_847417462_a.pdb or decoys//var/tmp/from_scwrl_847417462_a.pdb.gz for input Trying /var/tmp/from_scwrl_847417462_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_847417462_a.pdb or /var/tmp/from_scwrl_847417462_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_847417462.pdb or /var/tmp/from_scwrl_847417462_b.pdb or /var/tmp/from_scwrl_847417462_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 T0325 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_2130073930.pdb -s /var/tmp/to_scwrl_2130073930.seq -o /var/tmp/from_scwrl_2130073930.pdb > /var/tmp/scwrl_2130073930.log sh: /var/tmp/scwrl_2130073930.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2130073930.pdb or /var/tmp/from_scwrl_2130073930.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2130073930_b.pdb or decoys//var/tmp/from_scwrl_2130073930_b.pdb.gz for input Trying /var/tmp/from_scwrl_2130073930_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2130073930_b.pdb or /var/tmp/from_scwrl_2130073930_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2130073930_a.pdb or decoys//var/tmp/from_scwrl_2130073930_a.pdb.gz for input Trying /var/tmp/from_scwrl_2130073930_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2130073930_a.pdb or /var/tmp/from_scwrl_2130073930_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2130073930.pdb or /var/tmp/from_scwrl_2130073930_b.pdb or /var/tmp/from_scwrl_2130073930_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 258 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1696797994.pdb -s /var/tmp/to_scwrl_1696797994.seq -o /var/tmp/from_scwrl_1696797994.pdb > /var/tmp/scwrl_1696797994.log sh: /var/tmp/scwrl_1696797994.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1696797994.pdb or /var/tmp/from_scwrl_1696797994.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1696797994_b.pdb or decoys//var/tmp/from_scwrl_1696797994_b.pdb.gz for input Trying /var/tmp/from_scwrl_1696797994_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1696797994_b.pdb or /var/tmp/from_scwrl_1696797994_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1696797994_a.pdb or decoys//var/tmp/from_scwrl_1696797994_a.pdb.gz for input Trying /var/tmp/from_scwrl_1696797994_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1696797994_a.pdb or /var/tmp/from_scwrl_1696797994_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1696797994.pdb or /var/tmp/from_scwrl_1696797994_b.pdb or /var/tmp/from_scwrl_1696797994_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 T0325 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_697580550.pdb -s /var/tmp/to_scwrl_697580550.seq -o /var/tmp/from_scwrl_697580550.pdb > /var/tmp/scwrl_697580550.log sh: /var/tmp/scwrl_697580550.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_697580550.pdb or /var/tmp/from_scwrl_697580550.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_697580550_b.pdb or decoys//var/tmp/from_scwrl_697580550_b.pdb.gz for input Trying /var/tmp/from_scwrl_697580550_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_697580550_b.pdb or /var/tmp/from_scwrl_697580550_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_697580550_a.pdb or decoys//var/tmp/from_scwrl_697580550_a.pdb.gz for input Trying /var/tmp/from_scwrl_697580550_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_697580550_a.pdb or /var/tmp/from_scwrl_697580550_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_697580550.pdb or /var/tmp/from_scwrl_697580550_b.pdb or /var/tmp/from_scwrl_697580550_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 260 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1048551771.pdb -s /var/tmp/to_scwrl_1048551771.seq -o /var/tmp/from_scwrl_1048551771.pdb > /var/tmp/scwrl_1048551771.log sh: /var/tmp/scwrl_1048551771.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1048551771.pdb or /var/tmp/from_scwrl_1048551771.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1048551771_b.pdb or decoys//var/tmp/from_scwrl_1048551771_b.pdb.gz for input Trying /var/tmp/from_scwrl_1048551771_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1048551771_b.pdb or /var/tmp/from_scwrl_1048551771_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1048551771_a.pdb or decoys//var/tmp/from_scwrl_1048551771_a.pdb.gz for input Trying /var/tmp/from_scwrl_1048551771_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1048551771_a.pdb or /var/tmp/from_scwrl_1048551771_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1048551771.pdb or /var/tmp/from_scwrl_1048551771_b.pdb or /var/tmp/from_scwrl_1048551771_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 # Found a chain break before 261 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1717092838.pdb -s /var/tmp/to_scwrl_1717092838.seq -o /var/tmp/from_scwrl_1717092838.pdb > /var/tmp/scwrl_1717092838.log sh: /var/tmp/scwrl_1717092838.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1717092838.pdb or /var/tmp/from_scwrl_1717092838.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1717092838_b.pdb or decoys//var/tmp/from_scwrl_1717092838_b.pdb.gz for input Trying /var/tmp/from_scwrl_1717092838_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1717092838_b.pdb or /var/tmp/from_scwrl_1717092838_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1717092838_a.pdb or decoys//var/tmp/from_scwrl_1717092838_a.pdb.gz for input Trying /var/tmp/from_scwrl_1717092838_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1717092838_a.pdb or /var/tmp/from_scwrl_1717092838_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1717092838.pdb or /var/tmp/from_scwrl_1717092838_b.pdb or /var/tmp/from_scwrl_1717092838_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 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_110625440.pdb -s /var/tmp/to_scwrl_110625440.seq -o /var/tmp/from_scwrl_110625440.pdb > /var/tmp/scwrl_110625440.log sh: /var/tmp/scwrl_110625440.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_110625440.pdb or /var/tmp/from_scwrl_110625440.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_110625440_b.pdb or decoys//var/tmp/from_scwrl_110625440_b.pdb.gz for input Trying /var/tmp/from_scwrl_110625440_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_110625440_b.pdb or /var/tmp/from_scwrl_110625440_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_110625440_a.pdb or decoys//var/tmp/from_scwrl_110625440_a.pdb.gz for input Trying /var/tmp/from_scwrl_110625440_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_110625440_a.pdb or /var/tmp/from_scwrl_110625440_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_110625440.pdb or /var/tmp/from_scwrl_110625440_b.pdb or /var/tmp/from_scwrl_110625440_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 255 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_819619627.pdb -s /var/tmp/to_scwrl_819619627.seq -o /var/tmp/from_scwrl_819619627.pdb > /var/tmp/scwrl_819619627.log sh: /var/tmp/scwrl_819619627.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_819619627.pdb or /var/tmp/from_scwrl_819619627.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_819619627_b.pdb or decoys//var/tmp/from_scwrl_819619627_b.pdb.gz for input Trying /var/tmp/from_scwrl_819619627_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_819619627_b.pdb or /var/tmp/from_scwrl_819619627_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_819619627_a.pdb or decoys//var/tmp/from_scwrl_819619627_a.pdb.gz for input Trying /var/tmp/from_scwrl_819619627_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_819619627_a.pdb or /var/tmp/from_scwrl_819619627_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_819619627.pdb or /var/tmp/from_scwrl_819619627_b.pdb or /var/tmp/from_scwrl_819619627_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 T0325 can't currently be optimized by undertaker # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1815324969.pdb -s /var/tmp/to_scwrl_1815324969.seq -o /var/tmp/from_scwrl_1815324969.pdb > /var/tmp/scwrl_1815324969.log sh: /var/tmp/scwrl_1815324969.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1815324969.pdb or /var/tmp/from_scwrl_1815324969.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1815324969_b.pdb or decoys//var/tmp/from_scwrl_1815324969_b.pdb.gz for input Trying /var/tmp/from_scwrl_1815324969_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1815324969_b.pdb or /var/tmp/from_scwrl_1815324969_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1815324969_a.pdb or decoys//var/tmp/from_scwrl_1815324969_a.pdb.gz for input Trying /var/tmp/from_scwrl_1815324969_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1815324969_a.pdb or /var/tmp/from_scwrl_1815324969_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1815324969.pdb or /var/tmp/from_scwrl_1815324969_b.pdb or /var/tmp/from_scwrl_1815324969_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 T0325 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1879518295.pdb -s /var/tmp/to_scwrl_1879518295.seq -o /var/tmp/from_scwrl_1879518295.pdb > /var/tmp/scwrl_1879518295.log sh: /var/tmp/scwrl_1879518295.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1879518295.pdb or /var/tmp/from_scwrl_1879518295.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1879518295_b.pdb or decoys//var/tmp/from_scwrl_1879518295_b.pdb.gz for input Trying /var/tmp/from_scwrl_1879518295_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1879518295_b.pdb or /var/tmp/from_scwrl_1879518295_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1879518295_a.pdb or decoys//var/tmp/from_scwrl_1879518295_a.pdb.gz for input Trying /var/tmp/from_scwrl_1879518295_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1879518295_a.pdb or /var/tmp/from_scwrl_1879518295_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1879518295.pdb or /var/tmp/from_scwrl_1879518295_b.pdb or /var/tmp/from_scwrl_1879518295_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 T0325 can't currently be optimized by undertaker # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1595589121.pdb -s /var/tmp/to_scwrl_1595589121.seq -o /var/tmp/from_scwrl_1595589121.pdb > /var/tmp/scwrl_1595589121.log sh: /var/tmp/scwrl_1595589121.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1595589121.pdb or /var/tmp/from_scwrl_1595589121.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1595589121_b.pdb or decoys//var/tmp/from_scwrl_1595589121_b.pdb.gz for input Trying /var/tmp/from_scwrl_1595589121_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1595589121_b.pdb or /var/tmp/from_scwrl_1595589121_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1595589121_a.pdb or decoys//var/tmp/from_scwrl_1595589121_a.pdb.gz for input Trying /var/tmp/from_scwrl_1595589121_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1595589121_a.pdb or /var/tmp/from_scwrl_1595589121_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1595589121.pdb or /var/tmp/from_scwrl_1595589121_b.pdb or /var/tmp/from_scwrl_1595589121_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 # Found a chain break before 256 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1476079358.pdb -s /var/tmp/to_scwrl_1476079358.seq -o /var/tmp/from_scwrl_1476079358.pdb > /var/tmp/scwrl_1476079358.log sh: /var/tmp/scwrl_1476079358.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1476079358.pdb or /var/tmp/from_scwrl_1476079358.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1476079358_b.pdb or decoys//var/tmp/from_scwrl_1476079358_b.pdb.gz for input Trying /var/tmp/from_scwrl_1476079358_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1476079358_b.pdb or /var/tmp/from_scwrl_1476079358_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1476079358_a.pdb or decoys//var/tmp/from_scwrl_1476079358_a.pdb.gz for input Trying /var/tmp/from_scwrl_1476079358_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1476079358_a.pdb or /var/tmp/from_scwrl_1476079358_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1476079358.pdb or /var/tmp/from_scwrl_1476079358_b.pdb or /var/tmp/from_scwrl_1476079358_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 216 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1748580382.pdb -s /var/tmp/to_scwrl_1748580382.seq -o /var/tmp/from_scwrl_1748580382.pdb > /var/tmp/scwrl_1748580382.log sh: /var/tmp/scwrl_1748580382.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1748580382.pdb or /var/tmp/from_scwrl_1748580382.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1748580382_b.pdb or decoys//var/tmp/from_scwrl_1748580382_b.pdb.gz for input Trying /var/tmp/from_scwrl_1748580382_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1748580382_b.pdb or /var/tmp/from_scwrl_1748580382_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1748580382_a.pdb or decoys//var/tmp/from_scwrl_1748580382_a.pdb.gz for input Trying /var/tmp/from_scwrl_1748580382_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1748580382_a.pdb or /var/tmp/from_scwrl_1748580382_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1748580382.pdb or /var/tmp/from_scwrl_1748580382_b.pdb or /var/tmp/from_scwrl_1748580382_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 228 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_732727581.pdb -s /var/tmp/to_scwrl_732727581.seq -o /var/tmp/from_scwrl_732727581.pdb > /var/tmp/scwrl_732727581.log sh: /var/tmp/scwrl_732727581.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_732727581.pdb or /var/tmp/from_scwrl_732727581.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_732727581_b.pdb or decoys//var/tmp/from_scwrl_732727581_b.pdb.gz for input Trying /var/tmp/from_scwrl_732727581_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_732727581_b.pdb or /var/tmp/from_scwrl_732727581_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_732727581_a.pdb or decoys//var/tmp/from_scwrl_732727581_a.pdb.gz for input Trying /var/tmp/from_scwrl_732727581_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_732727581_a.pdb or /var/tmp/from_scwrl_732727581_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_732727581.pdb or /var/tmp/from_scwrl_732727581_b.pdb or /var/tmp/from_scwrl_732727581_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 160 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1009109989.pdb -s /var/tmp/to_scwrl_1009109989.seq -o /var/tmp/from_scwrl_1009109989.pdb > /var/tmp/scwrl_1009109989.log sh: /var/tmp/scwrl_1009109989.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1009109989.pdb or /var/tmp/from_scwrl_1009109989.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1009109989_b.pdb or decoys//var/tmp/from_scwrl_1009109989_b.pdb.gz for input Trying /var/tmp/from_scwrl_1009109989_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1009109989_b.pdb or /var/tmp/from_scwrl_1009109989_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1009109989_a.pdb or decoys//var/tmp/from_scwrl_1009109989_a.pdb.gz for input Trying /var/tmp/from_scwrl_1009109989_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1009109989_a.pdb or /var/tmp/from_scwrl_1009109989_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1009109989.pdb or /var/tmp/from_scwrl_1009109989_b.pdb or /var/tmp/from_scwrl_1009109989_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 156 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1540627444.pdb -s /var/tmp/to_scwrl_1540627444.seq -o /var/tmp/from_scwrl_1540627444.pdb > /var/tmp/scwrl_1540627444.log sh: /var/tmp/scwrl_1540627444.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1540627444.pdb or /var/tmp/from_scwrl_1540627444.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1540627444_b.pdb or decoys//var/tmp/from_scwrl_1540627444_b.pdb.gz for input Trying /var/tmp/from_scwrl_1540627444_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1540627444_b.pdb or /var/tmp/from_scwrl_1540627444_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1540627444_a.pdb or decoys//var/tmp/from_scwrl_1540627444_a.pdb.gz for input Trying /var/tmp/from_scwrl_1540627444_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1540627444_a.pdb or /var/tmp/from_scwrl_1540627444_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1540627444.pdb or /var/tmp/from_scwrl_1540627444_b.pdb or /var/tmp/from_scwrl_1540627444_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 166 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1049170111.pdb -s /var/tmp/to_scwrl_1049170111.seq -o /var/tmp/from_scwrl_1049170111.pdb > /var/tmp/scwrl_1049170111.log sh: /var/tmp/scwrl_1049170111.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1049170111.pdb or /var/tmp/from_scwrl_1049170111.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1049170111_b.pdb or decoys//var/tmp/from_scwrl_1049170111_b.pdb.gz for input Trying /var/tmp/from_scwrl_1049170111_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1049170111_b.pdb or /var/tmp/from_scwrl_1049170111_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1049170111_a.pdb or decoys//var/tmp/from_scwrl_1049170111_a.pdb.gz for input Trying /var/tmp/from_scwrl_1049170111_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1049170111_a.pdb or /var/tmp/from_scwrl_1049170111_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1049170111.pdb or /var/tmp/from_scwrl_1049170111_b.pdb or /var/tmp/from_scwrl_1049170111_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 T0325 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1754680413.pdb -s /var/tmp/to_scwrl_1754680413.seq -o /var/tmp/from_scwrl_1754680413.pdb > /var/tmp/scwrl_1754680413.log sh: /var/tmp/scwrl_1754680413.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1754680413.pdb or /var/tmp/from_scwrl_1754680413.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1754680413_b.pdb or decoys//var/tmp/from_scwrl_1754680413_b.pdb.gz for input Trying /var/tmp/from_scwrl_1754680413_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1754680413_b.pdb or /var/tmp/from_scwrl_1754680413_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1754680413_a.pdb or decoys//var/tmp/from_scwrl_1754680413_a.pdb.gz for input Trying /var/tmp/from_scwrl_1754680413_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1754680413_a.pdb or /var/tmp/from_scwrl_1754680413_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1754680413.pdb or /var/tmp/from_scwrl_1754680413_b.pdb or /var/tmp/from_scwrl_1754680413_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 T0325 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_419184967.pdb -s /var/tmp/to_scwrl_419184967.seq -o /var/tmp/from_scwrl_419184967.pdb > /var/tmp/scwrl_419184967.log sh: /var/tmp/scwrl_419184967.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_419184967.pdb or /var/tmp/from_scwrl_419184967.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_419184967_b.pdb or decoys//var/tmp/from_scwrl_419184967_b.pdb.gz for input Trying /var/tmp/from_scwrl_419184967_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_419184967_b.pdb or /var/tmp/from_scwrl_419184967_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_419184967_a.pdb or decoys//var/tmp/from_scwrl_419184967_a.pdb.gz for input Trying /var/tmp/from_scwrl_419184967_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_419184967_a.pdb or /var/tmp/from_scwrl_419184967_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_419184967.pdb or /var/tmp/from_scwrl_419184967_b.pdb or /var/tmp/from_scwrl_419184967_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 T0325 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_2094304041.pdb -s /var/tmp/to_scwrl_2094304041.seq -o /var/tmp/from_scwrl_2094304041.pdb > /var/tmp/scwrl_2094304041.log sh: /var/tmp/scwrl_2094304041.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2094304041.pdb or /var/tmp/from_scwrl_2094304041.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2094304041_b.pdb or decoys//var/tmp/from_scwrl_2094304041_b.pdb.gz for input Trying /var/tmp/from_scwrl_2094304041_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2094304041_b.pdb or /var/tmp/from_scwrl_2094304041_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2094304041_a.pdb or decoys//var/tmp/from_scwrl_2094304041_a.pdb.gz for input Trying /var/tmp/from_scwrl_2094304041_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2094304041_a.pdb or /var/tmp/from_scwrl_2094304041_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2094304041.pdb or /var/tmp/from_scwrl_2094304041_b.pdb or /var/tmp/from_scwrl_2094304041_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 T0325 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1894839316.pdb -s /var/tmp/to_scwrl_1894839316.seq -o /var/tmp/from_scwrl_1894839316.pdb > /var/tmp/scwrl_1894839316.log sh: /var/tmp/scwrl_1894839316.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1894839316.pdb or /var/tmp/from_scwrl_1894839316.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1894839316_b.pdb or decoys//var/tmp/from_scwrl_1894839316_b.pdb.gz for input Trying /var/tmp/from_scwrl_1894839316_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1894839316_b.pdb or /var/tmp/from_scwrl_1894839316_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1894839316_a.pdb or decoys//var/tmp/from_scwrl_1894839316_a.pdb.gz for input Trying /var/tmp/from_scwrl_1894839316_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1894839316_a.pdb or /var/tmp/from_scwrl_1894839316_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1894839316.pdb or /var/tmp/from_scwrl_1894839316_b.pdb or /var/tmp/from_scwrl_1894839316_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 Skipped atom 149, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 150, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 151, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 152, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 545, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 546, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 547, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 548, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_2131557899.pdb -s /var/tmp/to_scwrl_2131557899.seq -o /var/tmp/from_scwrl_2131557899.pdb > /var/tmp/scwrl_2131557899.log sh: /var/tmp/scwrl_2131557899.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2131557899.pdb or /var/tmp/from_scwrl_2131557899.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2131557899_b.pdb or decoys//var/tmp/from_scwrl_2131557899_b.pdb.gz for input Trying /var/tmp/from_scwrl_2131557899_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2131557899_b.pdb or /var/tmp/from_scwrl_2131557899_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2131557899_a.pdb or decoys//var/tmp/from_scwrl_2131557899_a.pdb.gz for input Trying /var/tmp/from_scwrl_2131557899_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2131557899_a.pdb or /var/tmp/from_scwrl_2131557899_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2131557899.pdb or /var/tmp/from_scwrl_2131557899_b.pdb or /var/tmp/from_scwrl_2131557899_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 T0325 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1712888339.pdb -s /var/tmp/to_scwrl_1712888339.seq -o /var/tmp/from_scwrl_1712888339.pdb > /var/tmp/scwrl_1712888339.log sh: /var/tmp/scwrl_1712888339.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1712888339.pdb or /var/tmp/from_scwrl_1712888339.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1712888339_b.pdb or decoys//var/tmp/from_scwrl_1712888339_b.pdb.gz for input Trying /var/tmp/from_scwrl_1712888339_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1712888339_b.pdb or /var/tmp/from_scwrl_1712888339_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1712888339_a.pdb or decoys//var/tmp/from_scwrl_1712888339_a.pdb.gz for input Trying /var/tmp/from_scwrl_1712888339_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1712888339_a.pdb or /var/tmp/from_scwrl_1712888339_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1712888339.pdb or /var/tmp/from_scwrl_1712888339_b.pdb or /var/tmp/from_scwrl_1712888339_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 T0325 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_639576108.pdb -s /var/tmp/to_scwrl_639576108.seq -o /var/tmp/from_scwrl_639576108.pdb > /var/tmp/scwrl_639576108.log sh: /var/tmp/scwrl_639576108.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_639576108.pdb or /var/tmp/from_scwrl_639576108.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_639576108_b.pdb or decoys//var/tmp/from_scwrl_639576108_b.pdb.gz for input Trying /var/tmp/from_scwrl_639576108_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_639576108_b.pdb or /var/tmp/from_scwrl_639576108_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_639576108_a.pdb or decoys//var/tmp/from_scwrl_639576108_a.pdb.gz for input Trying /var/tmp/from_scwrl_639576108_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_639576108_a.pdb or /var/tmp/from_scwrl_639576108_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_639576108.pdb or /var/tmp/from_scwrl_639576108_b.pdb or /var/tmp/from_scwrl_639576108_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 T0325 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_233605375.pdb -s /var/tmp/to_scwrl_233605375.seq -o /var/tmp/from_scwrl_233605375.pdb > /var/tmp/scwrl_233605375.log sh: /var/tmp/scwrl_233605375.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_233605375.pdb or /var/tmp/from_scwrl_233605375.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_233605375_b.pdb or decoys//var/tmp/from_scwrl_233605375_b.pdb.gz for input Trying /var/tmp/from_scwrl_233605375_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_233605375_b.pdb or /var/tmp/from_scwrl_233605375_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_233605375_a.pdb or decoys//var/tmp/from_scwrl_233605375_a.pdb.gz for input Trying /var/tmp/from_scwrl_233605375_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_233605375_a.pdb or /var/tmp/from_scwrl_233605375_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_233605375.pdb or /var/tmp/from_scwrl_233605375_b.pdb or /var/tmp/from_scwrl_233605375_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 T0325 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_217119740.pdb -s /var/tmp/to_scwrl_217119740.seq -o /var/tmp/from_scwrl_217119740.pdb > /var/tmp/scwrl_217119740.log sh: /var/tmp/scwrl_217119740.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_217119740.pdb or /var/tmp/from_scwrl_217119740.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_217119740_b.pdb or decoys//var/tmp/from_scwrl_217119740_b.pdb.gz for input Trying /var/tmp/from_scwrl_217119740_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_217119740_b.pdb or /var/tmp/from_scwrl_217119740_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_217119740_a.pdb or decoys//var/tmp/from_scwrl_217119740_a.pdb.gz for input Trying /var/tmp/from_scwrl_217119740_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_217119740_a.pdb or /var/tmp/from_scwrl_217119740_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_217119740.pdb or /var/tmp/from_scwrl_217119740_b.pdb or /var/tmp/from_scwrl_217119740_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 T0325 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1989747216.pdb -s /var/tmp/to_scwrl_1989747216.seq -o /var/tmp/from_scwrl_1989747216.pdb > /var/tmp/scwrl_1989747216.log sh: /var/tmp/scwrl_1989747216.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1989747216.pdb or /var/tmp/from_scwrl_1989747216.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1989747216_b.pdb or decoys//var/tmp/from_scwrl_1989747216_b.pdb.gz for input Trying /var/tmp/from_scwrl_1989747216_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1989747216_b.pdb or /var/tmp/from_scwrl_1989747216_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1989747216_a.pdb or decoys//var/tmp/from_scwrl_1989747216_a.pdb.gz for input Trying /var/tmp/from_scwrl_1989747216_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1989747216_a.pdb or /var/tmp/from_scwrl_1989747216_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1989747216.pdb or /var/tmp/from_scwrl_1989747216_b.pdb or /var/tmp/from_scwrl_1989747216_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 233 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_141600987.pdb -s /var/tmp/to_scwrl_141600987.seq -o /var/tmp/from_scwrl_141600987.pdb > /var/tmp/scwrl_141600987.log sh: /var/tmp/scwrl_141600987.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_141600987.pdb or /var/tmp/from_scwrl_141600987.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_141600987_b.pdb or decoys//var/tmp/from_scwrl_141600987_b.pdb.gz for input Trying /var/tmp/from_scwrl_141600987_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_141600987_b.pdb or /var/tmp/from_scwrl_141600987_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_141600987_a.pdb or decoys//var/tmp/from_scwrl_141600987_a.pdb.gz for input Trying /var/tmp/from_scwrl_141600987_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_141600987_a.pdb or /var/tmp/from_scwrl_141600987_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_141600987.pdb or /var/tmp/from_scwrl_141600987_b.pdb or /var/tmp/from_scwrl_141600987_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 260 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1549117480.pdb -s /var/tmp/to_scwrl_1549117480.seq -o /var/tmp/from_scwrl_1549117480.pdb > /var/tmp/scwrl_1549117480.log sh: /var/tmp/scwrl_1549117480.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1549117480.pdb or /var/tmp/from_scwrl_1549117480.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1549117480_b.pdb or decoys//var/tmp/from_scwrl_1549117480_b.pdb.gz for input Trying /var/tmp/from_scwrl_1549117480_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1549117480_b.pdb or /var/tmp/from_scwrl_1549117480_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1549117480_a.pdb or decoys//var/tmp/from_scwrl_1549117480_a.pdb.gz for input Trying /var/tmp/from_scwrl_1549117480_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1549117480_a.pdb or /var/tmp/from_scwrl_1549117480_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1549117480.pdb or /var/tmp/from_scwrl_1549117480_b.pdb or /var/tmp/from_scwrl_1549117480_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 182 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_861849597.pdb -s /var/tmp/to_scwrl_861849597.seq -o /var/tmp/from_scwrl_861849597.pdb > /var/tmp/scwrl_861849597.log sh: /var/tmp/scwrl_861849597.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_861849597.pdb or /var/tmp/from_scwrl_861849597.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_861849597_b.pdb or decoys//var/tmp/from_scwrl_861849597_b.pdb.gz for input Trying /var/tmp/from_scwrl_861849597_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_861849597_b.pdb or /var/tmp/from_scwrl_861849597_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_861849597_a.pdb or decoys//var/tmp/from_scwrl_861849597_a.pdb.gz for input Trying /var/tmp/from_scwrl_861849597_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_861849597_a.pdb or /var/tmp/from_scwrl_861849597_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_861849597.pdb or /var/tmp/from_scwrl_861849597_b.pdb or /var/tmp/from_scwrl_861849597_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 257 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_759579152.pdb -s /var/tmp/to_scwrl_759579152.seq -o /var/tmp/from_scwrl_759579152.pdb > /var/tmp/scwrl_759579152.log sh: /var/tmp/scwrl_759579152.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_759579152.pdb or /var/tmp/from_scwrl_759579152.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_759579152_b.pdb or decoys//var/tmp/from_scwrl_759579152_b.pdb.gz for input Trying /var/tmp/from_scwrl_759579152_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_759579152_b.pdb or /var/tmp/from_scwrl_759579152_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_759579152_a.pdb or decoys//var/tmp/from_scwrl_759579152_a.pdb.gz for input Trying /var/tmp/from_scwrl_759579152_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_759579152_a.pdb or /var/tmp/from_scwrl_759579152_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_759579152.pdb or /var/tmp/from_scwrl_759579152_b.pdb or /var/tmp/from_scwrl_759579152_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 261 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_249051295.pdb -s /var/tmp/to_scwrl_249051295.seq -o /var/tmp/from_scwrl_249051295.pdb > /var/tmp/scwrl_249051295.log sh: /var/tmp/scwrl_249051295.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_249051295.pdb or /var/tmp/from_scwrl_249051295.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_249051295_b.pdb or decoys//var/tmp/from_scwrl_249051295_b.pdb.gz for input Trying /var/tmp/from_scwrl_249051295_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_249051295_b.pdb or /var/tmp/from_scwrl_249051295_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_249051295_a.pdb or decoys//var/tmp/from_scwrl_249051295_a.pdb.gz for input Trying /var/tmp/from_scwrl_249051295_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_249051295_a.pdb or /var/tmp/from_scwrl_249051295_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_249051295.pdb or /var/tmp/from_scwrl_249051295_b.pdb or /var/tmp/from_scwrl_249051295_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 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_844439880.pdb -s /var/tmp/to_scwrl_844439880.seq -o /var/tmp/from_scwrl_844439880.pdb > /var/tmp/scwrl_844439880.log sh: /var/tmp/scwrl_844439880.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_844439880.pdb or /var/tmp/from_scwrl_844439880.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_844439880_b.pdb or decoys//var/tmp/from_scwrl_844439880_b.pdb.gz for input Trying /var/tmp/from_scwrl_844439880_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_844439880_b.pdb or /var/tmp/from_scwrl_844439880_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_844439880_a.pdb or decoys//var/tmp/from_scwrl_844439880_a.pdb.gz for input Trying /var/tmp/from_scwrl_844439880_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_844439880_a.pdb or /var/tmp/from_scwrl_844439880_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_844439880.pdb or /var/tmp/from_scwrl_844439880_b.pdb or /var/tmp/from_scwrl_844439880_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 227 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_308893499.pdb -s /var/tmp/to_scwrl_308893499.seq -o /var/tmp/from_scwrl_308893499.pdb > /var/tmp/scwrl_308893499.log sh: /var/tmp/scwrl_308893499.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_308893499.pdb or /var/tmp/from_scwrl_308893499.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_308893499_b.pdb or decoys//var/tmp/from_scwrl_308893499_b.pdb.gz for input Trying /var/tmp/from_scwrl_308893499_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_308893499_b.pdb or /var/tmp/from_scwrl_308893499_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_308893499_a.pdb or decoys//var/tmp/from_scwrl_308893499_a.pdb.gz for input Trying /var/tmp/from_scwrl_308893499_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_308893499_a.pdb or /var/tmp/from_scwrl_308893499_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_308893499.pdb or /var/tmp/from_scwrl_308893499_b.pdb or /var/tmp/from_scwrl_308893499_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 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_946631845.pdb -s /var/tmp/to_scwrl_946631845.seq -o /var/tmp/from_scwrl_946631845.pdb > /var/tmp/scwrl_946631845.log sh: /var/tmp/scwrl_946631845.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_946631845.pdb or /var/tmp/from_scwrl_946631845.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_946631845_b.pdb or decoys//var/tmp/from_scwrl_946631845_b.pdb.gz for input Trying /var/tmp/from_scwrl_946631845_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_946631845_b.pdb or /var/tmp/from_scwrl_946631845_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_946631845_a.pdb or decoys//var/tmp/from_scwrl_946631845_a.pdb.gz for input Trying /var/tmp/from_scwrl_946631845_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_946631845_a.pdb or /var/tmp/from_scwrl_946631845_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_946631845.pdb or /var/tmp/from_scwrl_946631845_b.pdb or /var/tmp/from_scwrl_946631845_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 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1892991651.pdb -s /var/tmp/to_scwrl_1892991651.seq -o /var/tmp/from_scwrl_1892991651.pdb > /var/tmp/scwrl_1892991651.log sh: /var/tmp/scwrl_1892991651.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1892991651.pdb or /var/tmp/from_scwrl_1892991651.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1892991651_b.pdb or decoys//var/tmp/from_scwrl_1892991651_b.pdb.gz for input Trying /var/tmp/from_scwrl_1892991651_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1892991651_b.pdb or /var/tmp/from_scwrl_1892991651_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1892991651_a.pdb or decoys//var/tmp/from_scwrl_1892991651_a.pdb.gz for input Trying /var/tmp/from_scwrl_1892991651_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1892991651_a.pdb or /var/tmp/from_scwrl_1892991651_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1892991651.pdb or /var/tmp/from_scwrl_1892991651_b.pdb or /var/tmp/from_scwrl_1892991651_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 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_2025986337.pdb -s /var/tmp/to_scwrl_2025986337.seq -o /var/tmp/from_scwrl_2025986337.pdb > /var/tmp/scwrl_2025986337.log sh: /var/tmp/scwrl_2025986337.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2025986337.pdb or /var/tmp/from_scwrl_2025986337.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2025986337_b.pdb or decoys//var/tmp/from_scwrl_2025986337_b.pdb.gz for input Trying /var/tmp/from_scwrl_2025986337_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2025986337_b.pdb or /var/tmp/from_scwrl_2025986337_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2025986337_a.pdb or decoys//var/tmp/from_scwrl_2025986337_a.pdb.gz for input Trying /var/tmp/from_scwrl_2025986337_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2025986337_a.pdb or /var/tmp/from_scwrl_2025986337_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2025986337.pdb or /var/tmp/from_scwrl_2025986337_b.pdb or /var/tmp/from_scwrl_2025986337_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 T0325 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1057257286.pdb -s /var/tmp/to_scwrl_1057257286.seq -o /var/tmp/from_scwrl_1057257286.pdb > /var/tmp/scwrl_1057257286.log sh: /var/tmp/scwrl_1057257286.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1057257286.pdb or /var/tmp/from_scwrl_1057257286.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1057257286_b.pdb or decoys//var/tmp/from_scwrl_1057257286_b.pdb.gz for input Trying /var/tmp/from_scwrl_1057257286_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1057257286_b.pdb or /var/tmp/from_scwrl_1057257286_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1057257286_a.pdb or decoys//var/tmp/from_scwrl_1057257286_a.pdb.gz for input Trying /var/tmp/from_scwrl_1057257286_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1057257286_a.pdb or /var/tmp/from_scwrl_1057257286_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1057257286.pdb or /var/tmp/from_scwrl_1057257286_b.pdb or /var/tmp/from_scwrl_1057257286_a.pdb Error: no new SCWRL conformation added # naming current conformation FUGUE_AL1-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_565127631.pdb -s /var/tmp/to_scwrl_565127631.seq -o /var/tmp/from_scwrl_565127631.pdb > /var/tmp/scwrl_565127631.log sh: /var/tmp/scwrl_565127631.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_565127631.pdb or /var/tmp/from_scwrl_565127631.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_565127631_b.pdb or decoys//var/tmp/from_scwrl_565127631_b.pdb.gz for input Trying /var/tmp/from_scwrl_565127631_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_565127631_b.pdb or /var/tmp/from_scwrl_565127631_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_565127631_a.pdb or decoys//var/tmp/from_scwrl_565127631_a.pdb.gz for input Trying /var/tmp/from_scwrl_565127631_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_565127631_a.pdb or /var/tmp/from_scwrl_565127631_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_565127631.pdb or /var/tmp/from_scwrl_565127631_b.pdb or /var/tmp/from_scwrl_565127631_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 T0325 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1693827659.pdb -s /var/tmp/to_scwrl_1693827659.seq -o /var/tmp/from_scwrl_1693827659.pdb > /var/tmp/scwrl_1693827659.log sh: /var/tmp/scwrl_1693827659.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1693827659.pdb or /var/tmp/from_scwrl_1693827659.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1693827659_b.pdb or decoys//var/tmp/from_scwrl_1693827659_b.pdb.gz for input Trying /var/tmp/from_scwrl_1693827659_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1693827659_b.pdb or /var/tmp/from_scwrl_1693827659_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1693827659_a.pdb or decoys//var/tmp/from_scwrl_1693827659_a.pdb.gz for input Trying /var/tmp/from_scwrl_1693827659_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1693827659_a.pdb or /var/tmp/from_scwrl_1693827659_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1693827659.pdb or /var/tmp/from_scwrl_1693827659_b.pdb or /var/tmp/from_scwrl_1693827659_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 T0325 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_789291934.pdb -s /var/tmp/to_scwrl_789291934.seq -o /var/tmp/from_scwrl_789291934.pdb > /var/tmp/scwrl_789291934.log sh: /var/tmp/scwrl_789291934.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_789291934.pdb or /var/tmp/from_scwrl_789291934.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_789291934_b.pdb or decoys//var/tmp/from_scwrl_789291934_b.pdb.gz for input Trying /var/tmp/from_scwrl_789291934_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_789291934_b.pdb or /var/tmp/from_scwrl_789291934_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_789291934_a.pdb or decoys//var/tmp/from_scwrl_789291934_a.pdb.gz for input Trying /var/tmp/from_scwrl_789291934_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_789291934_a.pdb or /var/tmp/from_scwrl_789291934_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_789291934.pdb or /var/tmp/from_scwrl_789291934_b.pdb or /var/tmp/from_scwrl_789291934_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 255 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_13233105.pdb -s /var/tmp/to_scwrl_13233105.seq -o /var/tmp/from_scwrl_13233105.pdb > /var/tmp/scwrl_13233105.log sh: /var/tmp/scwrl_13233105.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_13233105.pdb or /var/tmp/from_scwrl_13233105.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_13233105_b.pdb or decoys//var/tmp/from_scwrl_13233105_b.pdb.gz for input Trying /var/tmp/from_scwrl_13233105_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_13233105_b.pdb or /var/tmp/from_scwrl_13233105_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_13233105_a.pdb or decoys//var/tmp/from_scwrl_13233105_a.pdb.gz for input Trying /var/tmp/from_scwrl_13233105_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_13233105_a.pdb or /var/tmp/from_scwrl_13233105_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_13233105.pdb or /var/tmp/from_scwrl_13233105_b.pdb or /var/tmp/from_scwrl_13233105_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 258 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1022423371.pdb -s /var/tmp/to_scwrl_1022423371.seq -o /var/tmp/from_scwrl_1022423371.pdb > /var/tmp/scwrl_1022423371.log sh: /var/tmp/scwrl_1022423371.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1022423371.pdb or /var/tmp/from_scwrl_1022423371.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1022423371_b.pdb or decoys//var/tmp/from_scwrl_1022423371_b.pdb.gz for input Trying /var/tmp/from_scwrl_1022423371_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1022423371_b.pdb or /var/tmp/from_scwrl_1022423371_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1022423371_a.pdb or decoys//var/tmp/from_scwrl_1022423371_a.pdb.gz for input Trying /var/tmp/from_scwrl_1022423371_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1022423371_a.pdb or /var/tmp/from_scwrl_1022423371_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1022423371.pdb or /var/tmp/from_scwrl_1022423371_b.pdb or /var/tmp/from_scwrl_1022423371_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 258 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_390388669.pdb -s /var/tmp/to_scwrl_390388669.seq -o /var/tmp/from_scwrl_390388669.pdb > /var/tmp/scwrl_390388669.log sh: /var/tmp/scwrl_390388669.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_390388669.pdb or /var/tmp/from_scwrl_390388669.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_390388669_b.pdb or decoys//var/tmp/from_scwrl_390388669_b.pdb.gz for input Trying /var/tmp/from_scwrl_390388669_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_390388669_b.pdb or /var/tmp/from_scwrl_390388669_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_390388669_a.pdb or decoys//var/tmp/from_scwrl_390388669_a.pdb.gz for input Trying /var/tmp/from_scwrl_390388669_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_390388669_a.pdb or /var/tmp/from_scwrl_390388669_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_390388669.pdb or /var/tmp/from_scwrl_390388669_b.pdb or /var/tmp/from_scwrl_390388669_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 261 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_745960687.pdb -s /var/tmp/to_scwrl_745960687.seq -o /var/tmp/from_scwrl_745960687.pdb > /var/tmp/scwrl_745960687.log sh: /var/tmp/scwrl_745960687.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_745960687.pdb or /var/tmp/from_scwrl_745960687.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_745960687_b.pdb or decoys//var/tmp/from_scwrl_745960687_b.pdb.gz for input Trying /var/tmp/from_scwrl_745960687_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_745960687_b.pdb or /var/tmp/from_scwrl_745960687_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_745960687_a.pdb or decoys//var/tmp/from_scwrl_745960687_a.pdb.gz for input Trying /var/tmp/from_scwrl_745960687_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_745960687_a.pdb or /var/tmp/from_scwrl_745960687_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_745960687.pdb or /var/tmp/from_scwrl_745960687_b.pdb or /var/tmp/from_scwrl_745960687_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 238 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_2031533359.pdb -s /var/tmp/to_scwrl_2031533359.seq -o /var/tmp/from_scwrl_2031533359.pdb > /var/tmp/scwrl_2031533359.log sh: /var/tmp/scwrl_2031533359.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2031533359.pdb or /var/tmp/from_scwrl_2031533359.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2031533359_b.pdb or decoys//var/tmp/from_scwrl_2031533359_b.pdb.gz for input Trying /var/tmp/from_scwrl_2031533359_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2031533359_b.pdb or /var/tmp/from_scwrl_2031533359_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2031533359_a.pdb or decoys//var/tmp/from_scwrl_2031533359_a.pdb.gz for input Trying /var/tmp/from_scwrl_2031533359_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2031533359_a.pdb or /var/tmp/from_scwrl_2031533359_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2031533359.pdb or /var/tmp/from_scwrl_2031533359_b.pdb or /var/tmp/from_scwrl_2031533359_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 # Found a chain break before 241 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1931016113.pdb -s /var/tmp/to_scwrl_1931016113.seq -o /var/tmp/from_scwrl_1931016113.pdb > /var/tmp/scwrl_1931016113.log sh: /var/tmp/scwrl_1931016113.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1931016113.pdb or /var/tmp/from_scwrl_1931016113.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1931016113_b.pdb or decoys//var/tmp/from_scwrl_1931016113_b.pdb.gz for input Trying /var/tmp/from_scwrl_1931016113_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1931016113_b.pdb or /var/tmp/from_scwrl_1931016113_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1931016113_a.pdb or decoys//var/tmp/from_scwrl_1931016113_a.pdb.gz for input Trying /var/tmp/from_scwrl_1931016113_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1931016113_a.pdb or /var/tmp/from_scwrl_1931016113_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1931016113.pdb or /var/tmp/from_scwrl_1931016113_b.pdb or /var/tmp/from_scwrl_1931016113_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 189 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1795130797.pdb -s /var/tmp/to_scwrl_1795130797.seq -o /var/tmp/from_scwrl_1795130797.pdb > /var/tmp/scwrl_1795130797.log sh: /var/tmp/scwrl_1795130797.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1795130797.pdb or /var/tmp/from_scwrl_1795130797.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1795130797_b.pdb or decoys//var/tmp/from_scwrl_1795130797_b.pdb.gz for input Trying /var/tmp/from_scwrl_1795130797_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1795130797_b.pdb or /var/tmp/from_scwrl_1795130797_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1795130797_a.pdb or decoys//var/tmp/from_scwrl_1795130797_a.pdb.gz for input Trying /var/tmp/from_scwrl_1795130797_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1795130797_a.pdb or /var/tmp/from_scwrl_1795130797_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1795130797.pdb or /var/tmp/from_scwrl_1795130797_b.pdb or /var/tmp/from_scwrl_1795130797_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 # Found a chain break before 187 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1638730126.pdb -s /var/tmp/to_scwrl_1638730126.seq -o /var/tmp/from_scwrl_1638730126.pdb > /var/tmp/scwrl_1638730126.log sh: /var/tmp/scwrl_1638730126.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1638730126.pdb or /var/tmp/from_scwrl_1638730126.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1638730126_b.pdb or decoys//var/tmp/from_scwrl_1638730126_b.pdb.gz for input Trying /var/tmp/from_scwrl_1638730126_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1638730126_b.pdb or /var/tmp/from_scwrl_1638730126_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1638730126_a.pdb or decoys//var/tmp/from_scwrl_1638730126_a.pdb.gz for input Trying /var/tmp/from_scwrl_1638730126_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1638730126_a.pdb or /var/tmp/from_scwrl_1638730126_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1638730126.pdb or /var/tmp/from_scwrl_1638730126_b.pdb or /var/tmp/from_scwrl_1638730126_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 T0325 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_202717433.pdb -s /var/tmp/to_scwrl_202717433.seq -o /var/tmp/from_scwrl_202717433.pdb > /var/tmp/scwrl_202717433.log sh: /var/tmp/scwrl_202717433.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_202717433.pdb or /var/tmp/from_scwrl_202717433.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_202717433_b.pdb or decoys//var/tmp/from_scwrl_202717433_b.pdb.gz for input Trying /var/tmp/from_scwrl_202717433_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_202717433_b.pdb or /var/tmp/from_scwrl_202717433_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_202717433_a.pdb or decoys//var/tmp/from_scwrl_202717433_a.pdb.gz for input Trying /var/tmp/from_scwrl_202717433_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_202717433_a.pdb or /var/tmp/from_scwrl_202717433_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_202717433.pdb or /var/tmp/from_scwrl_202717433_b.pdb or /var/tmp/from_scwrl_202717433_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 T0325 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1741951191.pdb -s /var/tmp/to_scwrl_1741951191.seq -o /var/tmp/from_scwrl_1741951191.pdb > /var/tmp/scwrl_1741951191.log sh: /var/tmp/scwrl_1741951191.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1741951191.pdb or /var/tmp/from_scwrl_1741951191.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1741951191_b.pdb or decoys//var/tmp/from_scwrl_1741951191_b.pdb.gz for input Trying /var/tmp/from_scwrl_1741951191_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1741951191_b.pdb or /var/tmp/from_scwrl_1741951191_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1741951191_a.pdb or decoys//var/tmp/from_scwrl_1741951191_a.pdb.gz for input Trying /var/tmp/from_scwrl_1741951191_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1741951191_a.pdb or /var/tmp/from_scwrl_1741951191_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1741951191.pdb or /var/tmp/from_scwrl_1741951191_b.pdb or /var/tmp/from_scwrl_1741951191_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 189 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1386085795.pdb -s /var/tmp/to_scwrl_1386085795.seq -o /var/tmp/from_scwrl_1386085795.pdb > /var/tmp/scwrl_1386085795.log sh: /var/tmp/scwrl_1386085795.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1386085795.pdb or /var/tmp/from_scwrl_1386085795.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1386085795_b.pdb or decoys//var/tmp/from_scwrl_1386085795_b.pdb.gz for input Trying /var/tmp/from_scwrl_1386085795_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1386085795_b.pdb or /var/tmp/from_scwrl_1386085795_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1386085795_a.pdb or decoys//var/tmp/from_scwrl_1386085795_a.pdb.gz for input Trying /var/tmp/from_scwrl_1386085795_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1386085795_a.pdb or /var/tmp/from_scwrl_1386085795_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1386085795.pdb or /var/tmp/from_scwrl_1386085795_b.pdb or /var/tmp/from_scwrl_1386085795_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 190 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_186791685.pdb -s /var/tmp/to_scwrl_186791685.seq -o /var/tmp/from_scwrl_186791685.pdb > /var/tmp/scwrl_186791685.log sh: /var/tmp/scwrl_186791685.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_186791685.pdb or /var/tmp/from_scwrl_186791685.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_186791685_b.pdb or decoys//var/tmp/from_scwrl_186791685_b.pdb.gz for input Trying /var/tmp/from_scwrl_186791685_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_186791685_b.pdb or /var/tmp/from_scwrl_186791685_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_186791685_a.pdb or decoys//var/tmp/from_scwrl_186791685_a.pdb.gz for input Trying /var/tmp/from_scwrl_186791685_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_186791685_a.pdb or /var/tmp/from_scwrl_186791685_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_186791685.pdb or /var/tmp/from_scwrl_186791685_b.pdb or /var/tmp/from_scwrl_186791685_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 176 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1307355884.pdb -s /var/tmp/to_scwrl_1307355884.seq -o /var/tmp/from_scwrl_1307355884.pdb > /var/tmp/scwrl_1307355884.log sh: /var/tmp/scwrl_1307355884.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1307355884.pdb or /var/tmp/from_scwrl_1307355884.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1307355884_b.pdb or decoys//var/tmp/from_scwrl_1307355884_b.pdb.gz for input Trying /var/tmp/from_scwrl_1307355884_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1307355884_b.pdb or /var/tmp/from_scwrl_1307355884_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1307355884_a.pdb or decoys//var/tmp/from_scwrl_1307355884_a.pdb.gz for input Trying /var/tmp/from_scwrl_1307355884_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1307355884_a.pdb or /var/tmp/from_scwrl_1307355884_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1307355884.pdb or /var/tmp/from_scwrl_1307355884_b.pdb or /var/tmp/from_scwrl_1307355884_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 T0325 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_2025661903.pdb -s /var/tmp/to_scwrl_2025661903.seq -o /var/tmp/from_scwrl_2025661903.pdb > /var/tmp/scwrl_2025661903.log sh: /var/tmp/scwrl_2025661903.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2025661903.pdb or /var/tmp/from_scwrl_2025661903.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2025661903_b.pdb or decoys//var/tmp/from_scwrl_2025661903_b.pdb.gz for input Trying /var/tmp/from_scwrl_2025661903_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2025661903_b.pdb or /var/tmp/from_scwrl_2025661903_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2025661903_a.pdb or decoys//var/tmp/from_scwrl_2025661903_a.pdb.gz for input Trying /var/tmp/from_scwrl_2025661903_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2025661903_a.pdb or /var/tmp/from_scwrl_2025661903_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2025661903.pdb or /var/tmp/from_scwrl_2025661903_b.pdb or /var/tmp/from_scwrl_2025661903_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 T0325 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_420397060.pdb -s /var/tmp/to_scwrl_420397060.seq -o /var/tmp/from_scwrl_420397060.pdb > /var/tmp/scwrl_420397060.log sh: /var/tmp/scwrl_420397060.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_420397060.pdb or /var/tmp/from_scwrl_420397060.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_420397060_b.pdb or decoys//var/tmp/from_scwrl_420397060_b.pdb.gz for input Trying /var/tmp/from_scwrl_420397060_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_420397060_b.pdb or /var/tmp/from_scwrl_420397060_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_420397060_a.pdb or decoys//var/tmp/from_scwrl_420397060_a.pdb.gz for input Trying /var/tmp/from_scwrl_420397060_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_420397060_a.pdb or /var/tmp/from_scwrl_420397060_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_420397060.pdb or /var/tmp/from_scwrl_420397060_b.pdb or /var/tmp/from_scwrl_420397060_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 T0325 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1524475624.pdb -s /var/tmp/to_scwrl_1524475624.seq -o /var/tmp/from_scwrl_1524475624.pdb > /var/tmp/scwrl_1524475624.log sh: /var/tmp/scwrl_1524475624.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1524475624.pdb or /var/tmp/from_scwrl_1524475624.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1524475624_b.pdb or decoys//var/tmp/from_scwrl_1524475624_b.pdb.gz for input Trying /var/tmp/from_scwrl_1524475624_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1524475624_b.pdb or /var/tmp/from_scwrl_1524475624_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1524475624_a.pdb or decoys//var/tmp/from_scwrl_1524475624_a.pdb.gz for input Trying /var/tmp/from_scwrl_1524475624_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1524475624_a.pdb or /var/tmp/from_scwrl_1524475624_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1524475624.pdb or /var/tmp/from_scwrl_1524475624_b.pdb or /var/tmp/from_scwrl_1524475624_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 T0325 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1867925472.pdb -s /var/tmp/to_scwrl_1867925472.seq -o /var/tmp/from_scwrl_1867925472.pdb > /var/tmp/scwrl_1867925472.log sh: /var/tmp/scwrl_1867925472.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1867925472.pdb or /var/tmp/from_scwrl_1867925472.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1867925472_b.pdb or decoys//var/tmp/from_scwrl_1867925472_b.pdb.gz for input Trying /var/tmp/from_scwrl_1867925472_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1867925472_b.pdb or /var/tmp/from_scwrl_1867925472_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1867925472_a.pdb or decoys//var/tmp/from_scwrl_1867925472_a.pdb.gz for input Trying /var/tmp/from_scwrl_1867925472_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1867925472_a.pdb or /var/tmp/from_scwrl_1867925472_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1867925472.pdb or /var/tmp/from_scwrl_1867925472_b.pdb or /var/tmp/from_scwrl_1867925472_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 T0325 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_561998048.pdb -s /var/tmp/to_scwrl_561998048.seq -o /var/tmp/from_scwrl_561998048.pdb > /var/tmp/scwrl_561998048.log sh: /var/tmp/scwrl_561998048.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_561998048.pdb or /var/tmp/from_scwrl_561998048.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_561998048_b.pdb or decoys//var/tmp/from_scwrl_561998048_b.pdb.gz for input Trying /var/tmp/from_scwrl_561998048_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_561998048_b.pdb or /var/tmp/from_scwrl_561998048_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_561998048_a.pdb or decoys//var/tmp/from_scwrl_561998048_a.pdb.gz for input Trying /var/tmp/from_scwrl_561998048_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_561998048_a.pdb or /var/tmp/from_scwrl_561998048_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_561998048.pdb or /var/tmp/from_scwrl_561998048_b.pdb or /var/tmp/from_scwrl_561998048_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 T0325 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_926109458.pdb -s /var/tmp/to_scwrl_926109458.seq -o /var/tmp/from_scwrl_926109458.pdb > /var/tmp/scwrl_926109458.log sh: /var/tmp/scwrl_926109458.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_926109458.pdb or /var/tmp/from_scwrl_926109458.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_926109458_b.pdb or decoys//var/tmp/from_scwrl_926109458_b.pdb.gz for input Trying /var/tmp/from_scwrl_926109458_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_926109458_b.pdb or /var/tmp/from_scwrl_926109458_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_926109458_a.pdb or decoys//var/tmp/from_scwrl_926109458_a.pdb.gz for input Trying /var/tmp/from_scwrl_926109458_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_926109458_a.pdb or /var/tmp/from_scwrl_926109458_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_926109458.pdb or /var/tmp/from_scwrl_926109458_b.pdb or /var/tmp/from_scwrl_926109458_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 T0325 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_582291422.pdb -s /var/tmp/to_scwrl_582291422.seq -o /var/tmp/from_scwrl_582291422.pdb > /var/tmp/scwrl_582291422.log sh: /var/tmp/scwrl_582291422.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_582291422.pdb or /var/tmp/from_scwrl_582291422.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_582291422_b.pdb or decoys//var/tmp/from_scwrl_582291422_b.pdb.gz for input Trying /var/tmp/from_scwrl_582291422_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_582291422_b.pdb or /var/tmp/from_scwrl_582291422_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_582291422_a.pdb or decoys//var/tmp/from_scwrl_582291422_a.pdb.gz for input Trying /var/tmp/from_scwrl_582291422_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_582291422_a.pdb or /var/tmp/from_scwrl_582291422_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_582291422.pdb or /var/tmp/from_scwrl_582291422_b.pdb or /var/tmp/from_scwrl_582291422_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 T0325 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1321577199.pdb -s /var/tmp/to_scwrl_1321577199.seq -o /var/tmp/from_scwrl_1321577199.pdb > /var/tmp/scwrl_1321577199.log sh: /var/tmp/scwrl_1321577199.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1321577199.pdb or /var/tmp/from_scwrl_1321577199.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1321577199_b.pdb or decoys//var/tmp/from_scwrl_1321577199_b.pdb.gz for input Trying /var/tmp/from_scwrl_1321577199_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1321577199_b.pdb or /var/tmp/from_scwrl_1321577199_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1321577199_a.pdb or decoys//var/tmp/from_scwrl_1321577199_a.pdb.gz for input Trying /var/tmp/from_scwrl_1321577199_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1321577199_a.pdb or /var/tmp/from_scwrl_1321577199_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1321577199.pdb or /var/tmp/from_scwrl_1321577199_b.pdb or /var/tmp/from_scwrl_1321577199_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 T0325 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1175160752.pdb -s /var/tmp/to_scwrl_1175160752.seq -o /var/tmp/from_scwrl_1175160752.pdb > /var/tmp/scwrl_1175160752.log sh: /var/tmp/scwrl_1175160752.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1175160752.pdb or /var/tmp/from_scwrl_1175160752.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1175160752_b.pdb or decoys//var/tmp/from_scwrl_1175160752_b.pdb.gz for input Trying /var/tmp/from_scwrl_1175160752_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1175160752_b.pdb or /var/tmp/from_scwrl_1175160752_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1175160752_a.pdb or decoys//var/tmp/from_scwrl_1175160752_a.pdb.gz for input Trying /var/tmp/from_scwrl_1175160752_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1175160752_a.pdb or /var/tmp/from_scwrl_1175160752_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1175160752.pdb or /var/tmp/from_scwrl_1175160752_b.pdb or /var/tmp/from_scwrl_1175160752_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 T0325 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1426731302.pdb -s /var/tmp/to_scwrl_1426731302.seq -o /var/tmp/from_scwrl_1426731302.pdb > /var/tmp/scwrl_1426731302.log sh: /var/tmp/scwrl_1426731302.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1426731302.pdb or /var/tmp/from_scwrl_1426731302.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1426731302_b.pdb or decoys//var/tmp/from_scwrl_1426731302_b.pdb.gz for input Trying /var/tmp/from_scwrl_1426731302_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1426731302_b.pdb or /var/tmp/from_scwrl_1426731302_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1426731302_a.pdb or decoys//var/tmp/from_scwrl_1426731302_a.pdb.gz for input Trying /var/tmp/from_scwrl_1426731302_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1426731302_a.pdb or /var/tmp/from_scwrl_1426731302_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1426731302.pdb or /var/tmp/from_scwrl_1426731302_b.pdb or /var/tmp/from_scwrl_1426731302_a.pdb Error: no new SCWRL conformation added # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # Found a chain break before 257 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1630470698.pdb -s /var/tmp/to_scwrl_1630470698.seq -o /var/tmp/from_scwrl_1630470698.pdb > /var/tmp/scwrl_1630470698.log sh: /var/tmp/scwrl_1630470698.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1630470698.pdb or /var/tmp/from_scwrl_1630470698.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1630470698_b.pdb or decoys//var/tmp/from_scwrl_1630470698_b.pdb.gz for input Trying /var/tmp/from_scwrl_1630470698_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1630470698_b.pdb or /var/tmp/from_scwrl_1630470698_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1630470698_a.pdb or decoys//var/tmp/from_scwrl_1630470698_a.pdb.gz for input Trying /var/tmp/from_scwrl_1630470698_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1630470698_a.pdb or /var/tmp/from_scwrl_1630470698_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1630470698.pdb or /var/tmp/from_scwrl_1630470698_b.pdb or /var/tmp/from_scwrl_1630470698_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 200 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_2121792598.pdb -s /var/tmp/to_scwrl_2121792598.seq -o /var/tmp/from_scwrl_2121792598.pdb > /var/tmp/scwrl_2121792598.log sh: /var/tmp/scwrl_2121792598.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2121792598.pdb or /var/tmp/from_scwrl_2121792598.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2121792598_b.pdb or decoys//var/tmp/from_scwrl_2121792598_b.pdb.gz for input Trying /var/tmp/from_scwrl_2121792598_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2121792598_b.pdb or /var/tmp/from_scwrl_2121792598_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2121792598_a.pdb or decoys//var/tmp/from_scwrl_2121792598_a.pdb.gz for input Trying /var/tmp/from_scwrl_2121792598_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2121792598_a.pdb or /var/tmp/from_scwrl_2121792598_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2121792598.pdb or /var/tmp/from_scwrl_2121792598_b.pdb or /var/tmp/from_scwrl_2121792598_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 253 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1172239306.pdb -s /var/tmp/to_scwrl_1172239306.seq -o /var/tmp/from_scwrl_1172239306.pdb > /var/tmp/scwrl_1172239306.log sh: /var/tmp/scwrl_1172239306.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1172239306.pdb or /var/tmp/from_scwrl_1172239306.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1172239306_b.pdb or decoys//var/tmp/from_scwrl_1172239306_b.pdb.gz for input Trying /var/tmp/from_scwrl_1172239306_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1172239306_b.pdb or /var/tmp/from_scwrl_1172239306_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1172239306_a.pdb or decoys//var/tmp/from_scwrl_1172239306_a.pdb.gz for input Trying /var/tmp/from_scwrl_1172239306_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1172239306_a.pdb or /var/tmp/from_scwrl_1172239306_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1172239306.pdb or /var/tmp/from_scwrl_1172239306_b.pdb or /var/tmp/from_scwrl_1172239306_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 217 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1508973388.pdb -s /var/tmp/to_scwrl_1508973388.seq -o /var/tmp/from_scwrl_1508973388.pdb > /var/tmp/scwrl_1508973388.log sh: /var/tmp/scwrl_1508973388.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1508973388.pdb or /var/tmp/from_scwrl_1508973388.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1508973388_b.pdb or decoys//var/tmp/from_scwrl_1508973388_b.pdb.gz for input Trying /var/tmp/from_scwrl_1508973388_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1508973388_b.pdb or /var/tmp/from_scwrl_1508973388_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1508973388_a.pdb or decoys//var/tmp/from_scwrl_1508973388_a.pdb.gz for input Trying /var/tmp/from_scwrl_1508973388_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1508973388_a.pdb or /var/tmp/from_scwrl_1508973388_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1508973388.pdb or /var/tmp/from_scwrl_1508973388_b.pdb or /var/tmp/from_scwrl_1508973388_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 259 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1031566237.pdb -s /var/tmp/to_scwrl_1031566237.seq -o /var/tmp/from_scwrl_1031566237.pdb > /var/tmp/scwrl_1031566237.log sh: /var/tmp/scwrl_1031566237.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1031566237.pdb or /var/tmp/from_scwrl_1031566237.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1031566237_b.pdb or decoys//var/tmp/from_scwrl_1031566237_b.pdb.gz for input Trying /var/tmp/from_scwrl_1031566237_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1031566237_b.pdb or /var/tmp/from_scwrl_1031566237_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1031566237_a.pdb or decoys//var/tmp/from_scwrl_1031566237_a.pdb.gz for input Trying /var/tmp/from_scwrl_1031566237_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1031566237_a.pdb or /var/tmp/from_scwrl_1031566237_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1031566237.pdb or /var/tmp/from_scwrl_1031566237_b.pdb or /var/tmp/from_scwrl_1031566237_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 259 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1737366937.pdb -s /var/tmp/to_scwrl_1737366937.seq -o /var/tmp/from_scwrl_1737366937.pdb > /var/tmp/scwrl_1737366937.log sh: /var/tmp/scwrl_1737366937.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1737366937.pdb or /var/tmp/from_scwrl_1737366937.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1737366937_b.pdb or decoys//var/tmp/from_scwrl_1737366937_b.pdb.gz for input Trying /var/tmp/from_scwrl_1737366937_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1737366937_b.pdb or /var/tmp/from_scwrl_1737366937_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1737366937_a.pdb or decoys//var/tmp/from_scwrl_1737366937_a.pdb.gz for input Trying /var/tmp/from_scwrl_1737366937_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1737366937_a.pdb or /var/tmp/from_scwrl_1737366937_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1737366937.pdb or /var/tmp/from_scwrl_1737366937_b.pdb or /var/tmp/from_scwrl_1737366937_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 253 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1055317401.pdb -s /var/tmp/to_scwrl_1055317401.seq -o /var/tmp/from_scwrl_1055317401.pdb > /var/tmp/scwrl_1055317401.log sh: /var/tmp/scwrl_1055317401.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1055317401.pdb or /var/tmp/from_scwrl_1055317401.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1055317401_b.pdb or decoys//var/tmp/from_scwrl_1055317401_b.pdb.gz for input Trying /var/tmp/from_scwrl_1055317401_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1055317401_b.pdb or /var/tmp/from_scwrl_1055317401_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1055317401_a.pdb or decoys//var/tmp/from_scwrl_1055317401_a.pdb.gz for input Trying /var/tmp/from_scwrl_1055317401_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1055317401_a.pdb or /var/tmp/from_scwrl_1055317401_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1055317401.pdb or /var/tmp/from_scwrl_1055317401_b.pdb or /var/tmp/from_scwrl_1055317401_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 251 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1820858170.pdb -s /var/tmp/to_scwrl_1820858170.seq -o /var/tmp/from_scwrl_1820858170.pdb > /var/tmp/scwrl_1820858170.log sh: /var/tmp/scwrl_1820858170.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1820858170.pdb or /var/tmp/from_scwrl_1820858170.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1820858170_b.pdb or decoys//var/tmp/from_scwrl_1820858170_b.pdb.gz for input Trying /var/tmp/from_scwrl_1820858170_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1820858170_b.pdb or /var/tmp/from_scwrl_1820858170_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1820858170_a.pdb or decoys//var/tmp/from_scwrl_1820858170_a.pdb.gz for input Trying /var/tmp/from_scwrl_1820858170_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1820858170_a.pdb or /var/tmp/from_scwrl_1820858170_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1820858170.pdb or /var/tmp/from_scwrl_1820858170_b.pdb or /var/tmp/from_scwrl_1820858170_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 156 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1750600043.pdb -s /var/tmp/to_scwrl_1750600043.seq -o /var/tmp/from_scwrl_1750600043.pdb > /var/tmp/scwrl_1750600043.log sh: /var/tmp/scwrl_1750600043.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1750600043.pdb or /var/tmp/from_scwrl_1750600043.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1750600043_b.pdb or decoys//var/tmp/from_scwrl_1750600043_b.pdb.gz for input Trying /var/tmp/from_scwrl_1750600043_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1750600043_b.pdb or /var/tmp/from_scwrl_1750600043_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1750600043_a.pdb or decoys//var/tmp/from_scwrl_1750600043_a.pdb.gz for input Trying /var/tmp/from_scwrl_1750600043_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1750600043_a.pdb or /var/tmp/from_scwrl_1750600043_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1750600043.pdb or /var/tmp/from_scwrl_1750600043_b.pdb or /var/tmp/from_scwrl_1750600043_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 257 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_2077740771.pdb -s /var/tmp/to_scwrl_2077740771.seq -o /var/tmp/from_scwrl_2077740771.pdb > /var/tmp/scwrl_2077740771.log sh: /var/tmp/scwrl_2077740771.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2077740771.pdb or /var/tmp/from_scwrl_2077740771.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2077740771_b.pdb or decoys//var/tmp/from_scwrl_2077740771_b.pdb.gz for input Trying /var/tmp/from_scwrl_2077740771_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2077740771_b.pdb or /var/tmp/from_scwrl_2077740771_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2077740771_a.pdb or decoys//var/tmp/from_scwrl_2077740771_a.pdb.gz for input Trying /var/tmp/from_scwrl_2077740771_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2077740771_a.pdb or /var/tmp/from_scwrl_2077740771_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2077740771.pdb or /var/tmp/from_scwrl_2077740771_b.pdb or /var/tmp/from_scwrl_2077740771_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 254 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_63763192.pdb -s /var/tmp/to_scwrl_63763192.seq -o /var/tmp/from_scwrl_63763192.pdb > /var/tmp/scwrl_63763192.log sh: /var/tmp/scwrl_63763192.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_63763192.pdb or /var/tmp/from_scwrl_63763192.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_63763192_b.pdb or decoys//var/tmp/from_scwrl_63763192_b.pdb.gz for input Trying /var/tmp/from_scwrl_63763192_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_63763192_b.pdb or /var/tmp/from_scwrl_63763192_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_63763192_a.pdb or decoys//var/tmp/from_scwrl_63763192_a.pdb.gz for input Trying /var/tmp/from_scwrl_63763192_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_63763192_a.pdb or /var/tmp/from_scwrl_63763192_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_63763192.pdb or /var/tmp/from_scwrl_63763192_b.pdb or /var/tmp/from_scwrl_63763192_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 260 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_349077083.pdb -s /var/tmp/to_scwrl_349077083.seq -o /var/tmp/from_scwrl_349077083.pdb > /var/tmp/scwrl_349077083.log sh: /var/tmp/scwrl_349077083.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_349077083.pdb or /var/tmp/from_scwrl_349077083.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_349077083_b.pdb or decoys//var/tmp/from_scwrl_349077083_b.pdb.gz for input Trying /var/tmp/from_scwrl_349077083_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_349077083_b.pdb or /var/tmp/from_scwrl_349077083_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_349077083_a.pdb or decoys//var/tmp/from_scwrl_349077083_a.pdb.gz for input Trying /var/tmp/from_scwrl_349077083_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_349077083_a.pdb or /var/tmp/from_scwrl_349077083_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_349077083.pdb or /var/tmp/from_scwrl_349077083_b.pdb or /var/tmp/from_scwrl_349077083_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 261 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1961790484.pdb -s /var/tmp/to_scwrl_1961790484.seq -o /var/tmp/from_scwrl_1961790484.pdb > /var/tmp/scwrl_1961790484.log sh: /var/tmp/scwrl_1961790484.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1961790484.pdb or /var/tmp/from_scwrl_1961790484.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1961790484_b.pdb or decoys//var/tmp/from_scwrl_1961790484_b.pdb.gz for input Trying /var/tmp/from_scwrl_1961790484_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1961790484_b.pdb or /var/tmp/from_scwrl_1961790484_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1961790484_a.pdb or decoys//var/tmp/from_scwrl_1961790484_a.pdb.gz for input Trying /var/tmp/from_scwrl_1961790484_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1961790484_a.pdb or /var/tmp/from_scwrl_1961790484_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1961790484.pdb or /var/tmp/from_scwrl_1961790484_b.pdb or /var/tmp/from_scwrl_1961790484_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 261 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1994779305.pdb -s /var/tmp/to_scwrl_1994779305.seq -o /var/tmp/from_scwrl_1994779305.pdb > /var/tmp/scwrl_1994779305.log sh: /var/tmp/scwrl_1994779305.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1994779305.pdb or /var/tmp/from_scwrl_1994779305.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1994779305_b.pdb or decoys//var/tmp/from_scwrl_1994779305_b.pdb.gz for input Trying /var/tmp/from_scwrl_1994779305_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1994779305_b.pdb or /var/tmp/from_scwrl_1994779305_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1994779305_a.pdb or decoys//var/tmp/from_scwrl_1994779305_a.pdb.gz for input Trying /var/tmp/from_scwrl_1994779305_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1994779305_a.pdb or /var/tmp/from_scwrl_1994779305_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1994779305.pdb or /var/tmp/from_scwrl_1994779305_b.pdb or /var/tmp/from_scwrl_1994779305_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 254 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_2144207880.pdb -s /var/tmp/to_scwrl_2144207880.seq -o /var/tmp/from_scwrl_2144207880.pdb > /var/tmp/scwrl_2144207880.log sh: /var/tmp/scwrl_2144207880.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2144207880.pdb or /var/tmp/from_scwrl_2144207880.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2144207880_b.pdb or decoys//var/tmp/from_scwrl_2144207880_b.pdb.gz for input Trying /var/tmp/from_scwrl_2144207880_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2144207880_b.pdb or /var/tmp/from_scwrl_2144207880_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2144207880_a.pdb or decoys//var/tmp/from_scwrl_2144207880_a.pdb.gz for input Trying /var/tmp/from_scwrl_2144207880_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2144207880_a.pdb or /var/tmp/from_scwrl_2144207880_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2144207880.pdb or /var/tmp/from_scwrl_2144207880_b.pdb or /var/tmp/from_scwrl_2144207880_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 T0325 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1453036963.pdb -s /var/tmp/to_scwrl_1453036963.seq -o /var/tmp/from_scwrl_1453036963.pdb > /var/tmp/scwrl_1453036963.log sh: /var/tmp/scwrl_1453036963.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1453036963.pdb or /var/tmp/from_scwrl_1453036963.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1453036963_b.pdb or decoys//var/tmp/from_scwrl_1453036963_b.pdb.gz for input Trying /var/tmp/from_scwrl_1453036963_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1453036963_b.pdb or /var/tmp/from_scwrl_1453036963_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1453036963_a.pdb or decoys//var/tmp/from_scwrl_1453036963_a.pdb.gz for input Trying /var/tmp/from_scwrl_1453036963_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1453036963_a.pdb or /var/tmp/from_scwrl_1453036963_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1453036963.pdb or /var/tmp/from_scwrl_1453036963_b.pdb or /var/tmp/from_scwrl_1453036963_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 257 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_50013092.pdb -s /var/tmp/to_scwrl_50013092.seq -o /var/tmp/from_scwrl_50013092.pdb > /var/tmp/scwrl_50013092.log sh: /var/tmp/scwrl_50013092.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_50013092.pdb or /var/tmp/from_scwrl_50013092.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_50013092_b.pdb or decoys//var/tmp/from_scwrl_50013092_b.pdb.gz for input Trying /var/tmp/from_scwrl_50013092_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_50013092_b.pdb or /var/tmp/from_scwrl_50013092_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_50013092_a.pdb or decoys//var/tmp/from_scwrl_50013092_a.pdb.gz for input Trying /var/tmp/from_scwrl_50013092_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_50013092_a.pdb or /var/tmp/from_scwrl_50013092_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_50013092.pdb or /var/tmp/from_scwrl_50013092_b.pdb or /var/tmp/from_scwrl_50013092_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 # Found a chain break before 254 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1738675425.pdb -s /var/tmp/to_scwrl_1738675425.seq -o /var/tmp/from_scwrl_1738675425.pdb > /var/tmp/scwrl_1738675425.log sh: /var/tmp/scwrl_1738675425.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1738675425.pdb or /var/tmp/from_scwrl_1738675425.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1738675425_b.pdb or decoys//var/tmp/from_scwrl_1738675425_b.pdb.gz for input Trying /var/tmp/from_scwrl_1738675425_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1738675425_b.pdb or /var/tmp/from_scwrl_1738675425_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1738675425_a.pdb or decoys//var/tmp/from_scwrl_1738675425_a.pdb.gz for input Trying /var/tmp/from_scwrl_1738675425_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1738675425_a.pdb or /var/tmp/from_scwrl_1738675425_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1738675425.pdb or /var/tmp/from_scwrl_1738675425_b.pdb or /var/tmp/from_scwrl_1738675425_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 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_691639112.pdb -s /var/tmp/to_scwrl_691639112.seq -o /var/tmp/from_scwrl_691639112.pdb > /var/tmp/scwrl_691639112.log sh: /var/tmp/scwrl_691639112.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_691639112.pdb or /var/tmp/from_scwrl_691639112.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_691639112_b.pdb or decoys//var/tmp/from_scwrl_691639112_b.pdb.gz for input Trying /var/tmp/from_scwrl_691639112_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_691639112_b.pdb or /var/tmp/from_scwrl_691639112_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_691639112_a.pdb or decoys//var/tmp/from_scwrl_691639112_a.pdb.gz for input Trying /var/tmp/from_scwrl_691639112_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_691639112_a.pdb or /var/tmp/from_scwrl_691639112_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_691639112.pdb or /var/tmp/from_scwrl_691639112_b.pdb or /var/tmp/from_scwrl_691639112_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 258 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_236804777.pdb -s /var/tmp/to_scwrl_236804777.seq -o /var/tmp/from_scwrl_236804777.pdb > /var/tmp/scwrl_236804777.log sh: /var/tmp/scwrl_236804777.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_236804777.pdb or /var/tmp/from_scwrl_236804777.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_236804777_b.pdb or decoys//var/tmp/from_scwrl_236804777_b.pdb.gz for input Trying /var/tmp/from_scwrl_236804777_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_236804777_b.pdb or /var/tmp/from_scwrl_236804777_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_236804777_a.pdb or decoys//var/tmp/from_scwrl_236804777_a.pdb.gz for input Trying /var/tmp/from_scwrl_236804777_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_236804777_a.pdb or /var/tmp/from_scwrl_236804777_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_236804777.pdb or /var/tmp/from_scwrl_236804777_b.pdb or /var/tmp/from_scwrl_236804777_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 # Found a chain break before 256 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_898547663.pdb -s /var/tmp/to_scwrl_898547663.seq -o /var/tmp/from_scwrl_898547663.pdb > /var/tmp/scwrl_898547663.log sh: /var/tmp/scwrl_898547663.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_898547663.pdb or /var/tmp/from_scwrl_898547663.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_898547663_b.pdb or decoys//var/tmp/from_scwrl_898547663_b.pdb.gz for input Trying /var/tmp/from_scwrl_898547663_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_898547663_b.pdb or /var/tmp/from_scwrl_898547663_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_898547663_a.pdb or decoys//var/tmp/from_scwrl_898547663_a.pdb.gz for input Trying /var/tmp/from_scwrl_898547663_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_898547663_a.pdb or /var/tmp/from_scwrl_898547663_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_898547663.pdb or /var/tmp/from_scwrl_898547663_b.pdb or /var/tmp/from_scwrl_898547663_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 236 ; scwrl3 -i /var/tmp/to_scwrl_569817369.pdb -s /var/tmp/to_scwrl_569817369.seq -o /var/tmp/from_scwrl_569817369.pdb > /var/tmp/scwrl_569817369.log sh: /var/tmp/scwrl_569817369.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_569817369.pdb or /var/tmp/from_scwrl_569817369.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_569817369_b.pdb or decoys//var/tmp/from_scwrl_569817369_b.pdb.gz for input Trying /var/tmp/from_scwrl_569817369_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_569817369_b.pdb or /var/tmp/from_scwrl_569817369_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_569817369_a.pdb or decoys//var/tmp/from_scwrl_569817369_a.pdb.gz for input Trying /var/tmp/from_scwrl_569817369_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_569817369_a.pdb or /var/tmp/from_scwrl_569817369_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_569817369.pdb or /var/tmp/from_scwrl_569817369_b.pdb or /var/tmp/from_scwrl_569817369_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 236 ; scwrl3 -i /var/tmp/to_scwrl_657201838.pdb -s /var/tmp/to_scwrl_657201838.seq -o /var/tmp/from_scwrl_657201838.pdb > /var/tmp/scwrl_657201838.log sh: /var/tmp/scwrl_657201838.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_657201838.pdb or /var/tmp/from_scwrl_657201838.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_657201838_b.pdb or decoys//var/tmp/from_scwrl_657201838_b.pdb.gz for input Trying /var/tmp/from_scwrl_657201838_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_657201838_b.pdb or /var/tmp/from_scwrl_657201838_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_657201838_a.pdb or decoys//var/tmp/from_scwrl_657201838_a.pdb.gz for input Trying /var/tmp/from_scwrl_657201838_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_657201838_a.pdb or /var/tmp/from_scwrl_657201838_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_657201838.pdb or /var/tmp/from_scwrl_657201838_b.pdb or /var/tmp/from_scwrl_657201838_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 236 ; scwrl3 -i /var/tmp/to_scwrl_275539640.pdb -s /var/tmp/to_scwrl_275539640.seq -o /var/tmp/from_scwrl_275539640.pdb > /var/tmp/scwrl_275539640.log sh: /var/tmp/scwrl_275539640.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_275539640.pdb or /var/tmp/from_scwrl_275539640.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_275539640_b.pdb or decoys//var/tmp/from_scwrl_275539640_b.pdb.gz for input Trying /var/tmp/from_scwrl_275539640_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_275539640_b.pdb or /var/tmp/from_scwrl_275539640_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_275539640_a.pdb or decoys//var/tmp/from_scwrl_275539640_a.pdb.gz for input Trying /var/tmp/from_scwrl_275539640_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_275539640_a.pdb or /var/tmp/from_scwrl_275539640_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_275539640.pdb or /var/tmp/from_scwrl_275539640_b.pdb or /var/tmp/from_scwrl_275539640_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 236 ; scwrl3 -i /var/tmp/to_scwrl_290259194.pdb -s /var/tmp/to_scwrl_290259194.seq -o /var/tmp/from_scwrl_290259194.pdb > /var/tmp/scwrl_290259194.log sh: /var/tmp/scwrl_290259194.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_290259194.pdb or /var/tmp/from_scwrl_290259194.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_290259194_b.pdb or decoys//var/tmp/from_scwrl_290259194_b.pdb.gz for input Trying /var/tmp/from_scwrl_290259194_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_290259194_b.pdb or /var/tmp/from_scwrl_290259194_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_290259194_a.pdb or decoys//var/tmp/from_scwrl_290259194_a.pdb.gz for input Trying /var/tmp/from_scwrl_290259194_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_290259194_a.pdb or /var/tmp/from_scwrl_290259194_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_290259194.pdb or /var/tmp/from_scwrl_290259194_b.pdb or /var/tmp/from_scwrl_290259194_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 236 ; scwrl3 -i /var/tmp/to_scwrl_1219199885.pdb -s /var/tmp/to_scwrl_1219199885.seq -o /var/tmp/from_scwrl_1219199885.pdb > /var/tmp/scwrl_1219199885.log sh: /var/tmp/scwrl_1219199885.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1219199885.pdb or /var/tmp/from_scwrl_1219199885.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1219199885_b.pdb or decoys//var/tmp/from_scwrl_1219199885_b.pdb.gz for input Trying /var/tmp/from_scwrl_1219199885_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1219199885_b.pdb or /var/tmp/from_scwrl_1219199885_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1219199885_a.pdb or decoys//var/tmp/from_scwrl_1219199885_a.pdb.gz for input Trying /var/tmp/from_scwrl_1219199885_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1219199885_a.pdb or /var/tmp/from_scwrl_1219199885_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1219199885.pdb or /var/tmp/from_scwrl_1219199885_b.pdb or /var/tmp/from_scwrl_1219199885_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 # Found a chain break before 236 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1201649098.pdb -s /var/tmp/to_scwrl_1201649098.seq -o /var/tmp/from_scwrl_1201649098.pdb > /var/tmp/scwrl_1201649098.log sh: /var/tmp/scwrl_1201649098.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1201649098.pdb or /var/tmp/from_scwrl_1201649098.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1201649098_b.pdb or decoys//var/tmp/from_scwrl_1201649098_b.pdb.gz for input Trying /var/tmp/from_scwrl_1201649098_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1201649098_b.pdb or /var/tmp/from_scwrl_1201649098_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1201649098_a.pdb or decoys//var/tmp/from_scwrl_1201649098_a.pdb.gz for input Trying /var/tmp/from_scwrl_1201649098_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1201649098_a.pdb or /var/tmp/from_scwrl_1201649098_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1201649098.pdb or /var/tmp/from_scwrl_1201649098_b.pdb or /var/tmp/from_scwrl_1201649098_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 # Found a chain break before 232 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_872550617.pdb -s /var/tmp/to_scwrl_872550617.seq -o /var/tmp/from_scwrl_872550617.pdb > /var/tmp/scwrl_872550617.log sh: /var/tmp/scwrl_872550617.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_872550617.pdb or /var/tmp/from_scwrl_872550617.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_872550617_b.pdb or decoys//var/tmp/from_scwrl_872550617_b.pdb.gz for input Trying /var/tmp/from_scwrl_872550617_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_872550617_b.pdb or /var/tmp/from_scwrl_872550617_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_872550617_a.pdb or decoys//var/tmp/from_scwrl_872550617_a.pdb.gz for input Trying /var/tmp/from_scwrl_872550617_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_872550617_a.pdb or /var/tmp/from_scwrl_872550617_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_872550617.pdb or /var/tmp/from_scwrl_872550617_b.pdb or /var/tmp/from_scwrl_872550617_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 # Found a chain break before 241 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_393293438.pdb -s /var/tmp/to_scwrl_393293438.seq -o /var/tmp/from_scwrl_393293438.pdb > /var/tmp/scwrl_393293438.log sh: /var/tmp/scwrl_393293438.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_393293438.pdb or /var/tmp/from_scwrl_393293438.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_393293438_b.pdb or decoys//var/tmp/from_scwrl_393293438_b.pdb.gz for input Trying /var/tmp/from_scwrl_393293438_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_393293438_b.pdb or /var/tmp/from_scwrl_393293438_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_393293438_a.pdb or decoys//var/tmp/from_scwrl_393293438_a.pdb.gz for input Trying /var/tmp/from_scwrl_393293438_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_393293438_a.pdb or /var/tmp/from_scwrl_393293438_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_393293438.pdb or /var/tmp/from_scwrl_393293438_b.pdb or /var/tmp/from_scwrl_393293438_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 # Found a chain break before 232 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_229326204.pdb -s /var/tmp/to_scwrl_229326204.seq -o /var/tmp/from_scwrl_229326204.pdb > /var/tmp/scwrl_229326204.log sh: /var/tmp/scwrl_229326204.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_229326204.pdb or /var/tmp/from_scwrl_229326204.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_229326204_b.pdb or decoys//var/tmp/from_scwrl_229326204_b.pdb.gz for input Trying /var/tmp/from_scwrl_229326204_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_229326204_b.pdb or /var/tmp/from_scwrl_229326204_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_229326204_a.pdb or decoys//var/tmp/from_scwrl_229326204_a.pdb.gz for input Trying /var/tmp/from_scwrl_229326204_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_229326204_a.pdb or /var/tmp/from_scwrl_229326204_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_229326204.pdb or /var/tmp/from_scwrl_229326204_b.pdb or /var/tmp/from_scwrl_229326204_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 238 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_151798272.pdb -s /var/tmp/to_scwrl_151798272.seq -o /var/tmp/from_scwrl_151798272.pdb > /var/tmp/scwrl_151798272.log sh: /var/tmp/scwrl_151798272.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_151798272.pdb or /var/tmp/from_scwrl_151798272.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_151798272_b.pdb or decoys//var/tmp/from_scwrl_151798272_b.pdb.gz for input Trying /var/tmp/from_scwrl_151798272_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_151798272_b.pdb or /var/tmp/from_scwrl_151798272_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_151798272_a.pdb or decoys//var/tmp/from_scwrl_151798272_a.pdb.gz for input Trying /var/tmp/from_scwrl_151798272_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_151798272_a.pdb or /var/tmp/from_scwrl_151798272_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_151798272.pdb or /var/tmp/from_scwrl_151798272_b.pdb or /var/tmp/from_scwrl_151798272_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 T0325 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_2023764136.pdb -s /var/tmp/to_scwrl_2023764136.seq -o /var/tmp/from_scwrl_2023764136.pdb > /var/tmp/scwrl_2023764136.log sh: /var/tmp/scwrl_2023764136.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2023764136.pdb or /var/tmp/from_scwrl_2023764136.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2023764136_b.pdb or decoys//var/tmp/from_scwrl_2023764136_b.pdb.gz for input Trying /var/tmp/from_scwrl_2023764136_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2023764136_b.pdb or /var/tmp/from_scwrl_2023764136_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2023764136_a.pdb or decoys//var/tmp/from_scwrl_2023764136_a.pdb.gz for input Trying /var/tmp/from_scwrl_2023764136_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2023764136_a.pdb or /var/tmp/from_scwrl_2023764136_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2023764136.pdb or /var/tmp/from_scwrl_2023764136_b.pdb or /var/tmp/from_scwrl_2023764136_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 T0325 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_203635155.pdb -s /var/tmp/to_scwrl_203635155.seq -o /var/tmp/from_scwrl_203635155.pdb > /var/tmp/scwrl_203635155.log sh: /var/tmp/scwrl_203635155.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_203635155.pdb or /var/tmp/from_scwrl_203635155.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_203635155_b.pdb or decoys//var/tmp/from_scwrl_203635155_b.pdb.gz for input Trying /var/tmp/from_scwrl_203635155_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_203635155_b.pdb or /var/tmp/from_scwrl_203635155_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_203635155_a.pdb or decoys//var/tmp/from_scwrl_203635155_a.pdb.gz for input Trying /var/tmp/from_scwrl_203635155_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_203635155_a.pdb or /var/tmp/from_scwrl_203635155_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_203635155.pdb or /var/tmp/from_scwrl_203635155_b.pdb or /var/tmp/from_scwrl_203635155_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 T0325 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1324037578.pdb -s /var/tmp/to_scwrl_1324037578.seq -o /var/tmp/from_scwrl_1324037578.pdb > /var/tmp/scwrl_1324037578.log sh: /var/tmp/scwrl_1324037578.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1324037578.pdb or /var/tmp/from_scwrl_1324037578.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1324037578_b.pdb or decoys//var/tmp/from_scwrl_1324037578_b.pdb.gz for input Trying /var/tmp/from_scwrl_1324037578_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1324037578_b.pdb or /var/tmp/from_scwrl_1324037578_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1324037578_a.pdb or decoys//var/tmp/from_scwrl_1324037578_a.pdb.gz for input Trying /var/tmp/from_scwrl_1324037578_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1324037578_a.pdb or /var/tmp/from_scwrl_1324037578_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1324037578.pdb or /var/tmp/from_scwrl_1324037578_b.pdb or /var/tmp/from_scwrl_1324037578_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 T0325 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1385253877.pdb -s /var/tmp/to_scwrl_1385253877.seq -o /var/tmp/from_scwrl_1385253877.pdb > /var/tmp/scwrl_1385253877.log sh: /var/tmp/scwrl_1385253877.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1385253877.pdb or /var/tmp/from_scwrl_1385253877.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1385253877_b.pdb or decoys//var/tmp/from_scwrl_1385253877_b.pdb.gz for input Trying /var/tmp/from_scwrl_1385253877_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1385253877_b.pdb or /var/tmp/from_scwrl_1385253877_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1385253877_a.pdb or decoys//var/tmp/from_scwrl_1385253877_a.pdb.gz for input Trying /var/tmp/from_scwrl_1385253877_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1385253877_a.pdb or /var/tmp/from_scwrl_1385253877_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1385253877.pdb or /var/tmp/from_scwrl_1385253877_b.pdb or /var/tmp/from_scwrl_1385253877_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 T0325 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1235201391.pdb -s /var/tmp/to_scwrl_1235201391.seq -o /var/tmp/from_scwrl_1235201391.pdb > /var/tmp/scwrl_1235201391.log sh: /var/tmp/scwrl_1235201391.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1235201391.pdb or /var/tmp/from_scwrl_1235201391.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1235201391_b.pdb or decoys//var/tmp/from_scwrl_1235201391_b.pdb.gz for input Trying /var/tmp/from_scwrl_1235201391_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1235201391_b.pdb or /var/tmp/from_scwrl_1235201391_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1235201391_a.pdb or decoys//var/tmp/from_scwrl_1235201391_a.pdb.gz for input Trying /var/tmp/from_scwrl_1235201391_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1235201391_a.pdb or /var/tmp/from_scwrl_1235201391_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1235201391.pdb or /var/tmp/from_scwrl_1235201391_b.pdb or /var/tmp/from_scwrl_1235201391_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 T0325 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_913920869.pdb -s /var/tmp/to_scwrl_913920869.seq -o /var/tmp/from_scwrl_913920869.pdb > /var/tmp/scwrl_913920869.log sh: /var/tmp/scwrl_913920869.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_913920869.pdb or /var/tmp/from_scwrl_913920869.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_913920869_b.pdb or decoys//var/tmp/from_scwrl_913920869_b.pdb.gz for input Trying /var/tmp/from_scwrl_913920869_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_913920869_b.pdb or /var/tmp/from_scwrl_913920869_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_913920869_a.pdb or decoys//var/tmp/from_scwrl_913920869_a.pdb.gz for input Trying /var/tmp/from_scwrl_913920869_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_913920869_a.pdb or /var/tmp/from_scwrl_913920869_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_913920869.pdb or /var/tmp/from_scwrl_913920869_b.pdb or /var/tmp/from_scwrl_913920869_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 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_293087631.pdb -s /var/tmp/to_scwrl_293087631.seq -o /var/tmp/from_scwrl_293087631.pdb > /var/tmp/scwrl_293087631.log sh: /var/tmp/scwrl_293087631.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_293087631.pdb or /var/tmp/from_scwrl_293087631.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_293087631_b.pdb or decoys//var/tmp/from_scwrl_293087631_b.pdb.gz for input Trying /var/tmp/from_scwrl_293087631_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_293087631_b.pdb or /var/tmp/from_scwrl_293087631_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_293087631_a.pdb or decoys//var/tmp/from_scwrl_293087631_a.pdb.gz for input Trying /var/tmp/from_scwrl_293087631_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_293087631_a.pdb or /var/tmp/from_scwrl_293087631_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_293087631.pdb or /var/tmp/from_scwrl_293087631_b.pdb or /var/tmp/from_scwrl_293087631_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 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_908575915.pdb -s /var/tmp/to_scwrl_908575915.seq -o /var/tmp/from_scwrl_908575915.pdb > /var/tmp/scwrl_908575915.log sh: /var/tmp/scwrl_908575915.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_908575915.pdb or /var/tmp/from_scwrl_908575915.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_908575915_b.pdb or decoys//var/tmp/from_scwrl_908575915_b.pdb.gz for input Trying /var/tmp/from_scwrl_908575915_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_908575915_b.pdb or /var/tmp/from_scwrl_908575915_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_908575915_a.pdb or decoys//var/tmp/from_scwrl_908575915_a.pdb.gz for input Trying /var/tmp/from_scwrl_908575915_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_908575915_a.pdb or /var/tmp/from_scwrl_908575915_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_908575915.pdb or /var/tmp/from_scwrl_908575915_b.pdb or /var/tmp/from_scwrl_908575915_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 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_517037265.pdb -s /var/tmp/to_scwrl_517037265.seq -o /var/tmp/from_scwrl_517037265.pdb > /var/tmp/scwrl_517037265.log sh: /var/tmp/scwrl_517037265.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_517037265.pdb or /var/tmp/from_scwrl_517037265.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_517037265_b.pdb or decoys//var/tmp/from_scwrl_517037265_b.pdb.gz for input Trying /var/tmp/from_scwrl_517037265_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_517037265_b.pdb or /var/tmp/from_scwrl_517037265_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_517037265_a.pdb or decoys//var/tmp/from_scwrl_517037265_a.pdb.gz for input Trying /var/tmp/from_scwrl_517037265_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_517037265_a.pdb or /var/tmp/from_scwrl_517037265_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_517037265.pdb or /var/tmp/from_scwrl_517037265_b.pdb or /var/tmp/from_scwrl_517037265_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 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_223344755.pdb -s /var/tmp/to_scwrl_223344755.seq -o /var/tmp/from_scwrl_223344755.pdb > /var/tmp/scwrl_223344755.log sh: /var/tmp/scwrl_223344755.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_223344755.pdb or /var/tmp/from_scwrl_223344755.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_223344755_b.pdb or decoys//var/tmp/from_scwrl_223344755_b.pdb.gz for input Trying /var/tmp/from_scwrl_223344755_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_223344755_b.pdb or /var/tmp/from_scwrl_223344755_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_223344755_a.pdb or decoys//var/tmp/from_scwrl_223344755_a.pdb.gz for input Trying /var/tmp/from_scwrl_223344755_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_223344755_a.pdb or /var/tmp/from_scwrl_223344755_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_223344755.pdb or /var/tmp/from_scwrl_223344755_b.pdb or /var/tmp/from_scwrl_223344755_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 # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_972339107.pdb -s /var/tmp/to_scwrl_972339107.seq -o /var/tmp/from_scwrl_972339107.pdb > /var/tmp/scwrl_972339107.log sh: /var/tmp/scwrl_972339107.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_972339107.pdb or /var/tmp/from_scwrl_972339107.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_972339107_b.pdb or decoys//var/tmp/from_scwrl_972339107_b.pdb.gz for input Trying /var/tmp/from_scwrl_972339107_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_972339107_b.pdb or /var/tmp/from_scwrl_972339107_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_972339107_a.pdb or decoys//var/tmp/from_scwrl_972339107_a.pdb.gz for input Trying /var/tmp/from_scwrl_972339107_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_972339107_a.pdb or /var/tmp/from_scwrl_972339107_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_972339107.pdb or /var/tmp/from_scwrl_972339107_b.pdb or /var/tmp/from_scwrl_972339107_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 T0325 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_866114348.pdb -s /var/tmp/to_scwrl_866114348.seq -o /var/tmp/from_scwrl_866114348.pdb > /var/tmp/scwrl_866114348.log sh: /var/tmp/scwrl_866114348.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_866114348.pdb or /var/tmp/from_scwrl_866114348.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_866114348_b.pdb or decoys//var/tmp/from_scwrl_866114348_b.pdb.gz for input Trying /var/tmp/from_scwrl_866114348_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_866114348_b.pdb or /var/tmp/from_scwrl_866114348_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_866114348_a.pdb or decoys//var/tmp/from_scwrl_866114348_a.pdb.gz for input Trying /var/tmp/from_scwrl_866114348_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_866114348_a.pdb or /var/tmp/from_scwrl_866114348_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_866114348.pdb or /var/tmp/from_scwrl_866114348_b.pdb or /var/tmp/from_scwrl_866114348_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 T0325 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_37651592.pdb -s /var/tmp/to_scwrl_37651592.seq -o /var/tmp/from_scwrl_37651592.pdb > /var/tmp/scwrl_37651592.log sh: /var/tmp/scwrl_37651592.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_37651592.pdb or /var/tmp/from_scwrl_37651592.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_37651592_b.pdb or decoys//var/tmp/from_scwrl_37651592_b.pdb.gz for input Trying /var/tmp/from_scwrl_37651592_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_37651592_b.pdb or /var/tmp/from_scwrl_37651592_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_37651592_a.pdb or decoys//var/tmp/from_scwrl_37651592_a.pdb.gz for input Trying /var/tmp/from_scwrl_37651592_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_37651592_a.pdb or /var/tmp/from_scwrl_37651592_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_37651592.pdb or /var/tmp/from_scwrl_37651592_b.pdb or /var/tmp/from_scwrl_37651592_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 # Found a chain break before 237 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_819634766.pdb -s /var/tmp/to_scwrl_819634766.seq -o /var/tmp/from_scwrl_819634766.pdb > /var/tmp/scwrl_819634766.log sh: /var/tmp/scwrl_819634766.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_819634766.pdb or /var/tmp/from_scwrl_819634766.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_819634766_b.pdb or decoys//var/tmp/from_scwrl_819634766_b.pdb.gz for input Trying /var/tmp/from_scwrl_819634766_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_819634766_b.pdb or /var/tmp/from_scwrl_819634766_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_819634766_a.pdb or decoys//var/tmp/from_scwrl_819634766_a.pdb.gz for input Trying /var/tmp/from_scwrl_819634766_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_819634766_a.pdb or /var/tmp/from_scwrl_819634766_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_819634766.pdb or /var/tmp/from_scwrl_819634766_b.pdb or /var/tmp/from_scwrl_819634766_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 # Found a chain break before 211 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_862838582.pdb -s /var/tmp/to_scwrl_862838582.seq -o /var/tmp/from_scwrl_862838582.pdb > /var/tmp/scwrl_862838582.log sh: /var/tmp/scwrl_862838582.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_862838582.pdb or /var/tmp/from_scwrl_862838582.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_862838582_b.pdb or decoys//var/tmp/from_scwrl_862838582_b.pdb.gz for input Trying /var/tmp/from_scwrl_862838582_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_862838582_b.pdb or /var/tmp/from_scwrl_862838582_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_862838582_a.pdb or decoys//var/tmp/from_scwrl_862838582_a.pdb.gz for input Trying /var/tmp/from_scwrl_862838582_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_862838582_a.pdb or /var/tmp/from_scwrl_862838582_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_862838582.pdb or /var/tmp/from_scwrl_862838582_b.pdb or /var/tmp/from_scwrl_862838582_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 # Found a chain break before 238 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1490688555.pdb -s /var/tmp/to_scwrl_1490688555.seq -o /var/tmp/from_scwrl_1490688555.pdb > /var/tmp/scwrl_1490688555.log sh: /var/tmp/scwrl_1490688555.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1490688555.pdb or /var/tmp/from_scwrl_1490688555.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1490688555_b.pdb or decoys//var/tmp/from_scwrl_1490688555_b.pdb.gz for input Trying /var/tmp/from_scwrl_1490688555_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1490688555_b.pdb or /var/tmp/from_scwrl_1490688555_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1490688555_a.pdb or decoys//var/tmp/from_scwrl_1490688555_a.pdb.gz for input Trying /var/tmp/from_scwrl_1490688555_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1490688555_a.pdb or /var/tmp/from_scwrl_1490688555_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1490688555.pdb or /var/tmp/from_scwrl_1490688555_b.pdb or /var/tmp/from_scwrl_1490688555_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 # Found a chain break before 228 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_869647858.pdb -s /var/tmp/to_scwrl_869647858.seq -o /var/tmp/from_scwrl_869647858.pdb > /var/tmp/scwrl_869647858.log sh: /var/tmp/scwrl_869647858.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_869647858.pdb or /var/tmp/from_scwrl_869647858.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_869647858_b.pdb or decoys//var/tmp/from_scwrl_869647858_b.pdb.gz for input Trying /var/tmp/from_scwrl_869647858_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_869647858_b.pdb or /var/tmp/from_scwrl_869647858_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_869647858_a.pdb or decoys//var/tmp/from_scwrl_869647858_a.pdb.gz for input Trying /var/tmp/from_scwrl_869647858_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_869647858_a.pdb or /var/tmp/from_scwrl_869647858_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_869647858.pdb or /var/tmp/from_scwrl_869647858_b.pdb or /var/tmp/from_scwrl_869647858_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 223 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_454030360.pdb -s /var/tmp/to_scwrl_454030360.seq -o /var/tmp/from_scwrl_454030360.pdb > /var/tmp/scwrl_454030360.log sh: /var/tmp/scwrl_454030360.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_454030360.pdb or /var/tmp/from_scwrl_454030360.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_454030360_b.pdb or decoys//var/tmp/from_scwrl_454030360_b.pdb.gz for input Trying /var/tmp/from_scwrl_454030360_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_454030360_b.pdb or /var/tmp/from_scwrl_454030360_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_454030360_a.pdb or decoys//var/tmp/from_scwrl_454030360_a.pdb.gz for input Trying /var/tmp/from_scwrl_454030360_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_454030360_a.pdb or /var/tmp/from_scwrl_454030360_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_454030360.pdb or /var/tmp/from_scwrl_454030360_b.pdb or /var/tmp/from_scwrl_454030360_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 225 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_34844021.pdb -s /var/tmp/to_scwrl_34844021.seq -o /var/tmp/from_scwrl_34844021.pdb > /var/tmp/scwrl_34844021.log sh: /var/tmp/scwrl_34844021.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_34844021.pdb or /var/tmp/from_scwrl_34844021.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_34844021_b.pdb or decoys//var/tmp/from_scwrl_34844021_b.pdb.gz for input Trying /var/tmp/from_scwrl_34844021_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_34844021_b.pdb or /var/tmp/from_scwrl_34844021_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_34844021_a.pdb or decoys//var/tmp/from_scwrl_34844021_a.pdb.gz for input Trying /var/tmp/from_scwrl_34844021_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_34844021_a.pdb or /var/tmp/from_scwrl_34844021_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_34844021.pdb or /var/tmp/from_scwrl_34844021_b.pdb or /var/tmp/from_scwrl_34844021_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 261 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1106452634.pdb -s /var/tmp/to_scwrl_1106452634.seq -o /var/tmp/from_scwrl_1106452634.pdb > /var/tmp/scwrl_1106452634.log sh: /var/tmp/scwrl_1106452634.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1106452634.pdb or /var/tmp/from_scwrl_1106452634.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1106452634_b.pdb or decoys//var/tmp/from_scwrl_1106452634_b.pdb.gz for input Trying /var/tmp/from_scwrl_1106452634_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1106452634_b.pdb or /var/tmp/from_scwrl_1106452634_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1106452634_a.pdb or decoys//var/tmp/from_scwrl_1106452634_a.pdb.gz for input Trying /var/tmp/from_scwrl_1106452634_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1106452634_a.pdb or /var/tmp/from_scwrl_1106452634_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1106452634.pdb or /var/tmp/from_scwrl_1106452634_b.pdb or /var/tmp/from_scwrl_1106452634_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 44 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1352578022.pdb -s /var/tmp/to_scwrl_1352578022.seq -o /var/tmp/from_scwrl_1352578022.pdb > /var/tmp/scwrl_1352578022.log sh: /var/tmp/scwrl_1352578022.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1352578022.pdb or /var/tmp/from_scwrl_1352578022.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1352578022_b.pdb or decoys//var/tmp/from_scwrl_1352578022_b.pdb.gz for input Trying /var/tmp/from_scwrl_1352578022_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1352578022_b.pdb or /var/tmp/from_scwrl_1352578022_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1352578022_a.pdb or decoys//var/tmp/from_scwrl_1352578022_a.pdb.gz for input Trying /var/tmp/from_scwrl_1352578022_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1352578022_a.pdb or /var/tmp/from_scwrl_1352578022_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1352578022.pdb or /var/tmp/from_scwrl_1352578022_b.pdb or /var/tmp/from_scwrl_1352578022_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 176 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_604661390.pdb -s /var/tmp/to_scwrl_604661390.seq -o /var/tmp/from_scwrl_604661390.pdb > /var/tmp/scwrl_604661390.log sh: /var/tmp/scwrl_604661390.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_604661390.pdb or /var/tmp/from_scwrl_604661390.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_604661390_b.pdb or decoys//var/tmp/from_scwrl_604661390_b.pdb.gz for input Trying /var/tmp/from_scwrl_604661390_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_604661390_b.pdb or /var/tmp/from_scwrl_604661390_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_604661390_a.pdb or decoys//var/tmp/from_scwrl_604661390_a.pdb.gz for input Trying /var/tmp/from_scwrl_604661390_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_604661390_a.pdb or /var/tmp/from_scwrl_604661390_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_604661390.pdb or /var/tmp/from_scwrl_604661390_b.pdb or /var/tmp/from_scwrl_604661390_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 258 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1763654472.pdb -s /var/tmp/to_scwrl_1763654472.seq -o /var/tmp/from_scwrl_1763654472.pdb > /var/tmp/scwrl_1763654472.log sh: /var/tmp/scwrl_1763654472.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1763654472.pdb or /var/tmp/from_scwrl_1763654472.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1763654472_b.pdb or decoys//var/tmp/from_scwrl_1763654472_b.pdb.gz for input Trying /var/tmp/from_scwrl_1763654472_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1763654472_b.pdb or /var/tmp/from_scwrl_1763654472_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1763654472_a.pdb or decoys//var/tmp/from_scwrl_1763654472_a.pdb.gz for input Trying /var/tmp/from_scwrl_1763654472_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1763654472_a.pdb or /var/tmp/from_scwrl_1763654472_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1763654472.pdb or /var/tmp/from_scwrl_1763654472_b.pdb or /var/tmp/from_scwrl_1763654472_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 100 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1628117662.pdb -s /var/tmp/to_scwrl_1628117662.seq -o /var/tmp/from_scwrl_1628117662.pdb > /var/tmp/scwrl_1628117662.log sh: /var/tmp/scwrl_1628117662.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1628117662.pdb or /var/tmp/from_scwrl_1628117662.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1628117662_b.pdb or decoys//var/tmp/from_scwrl_1628117662_b.pdb.gz for input Trying /var/tmp/from_scwrl_1628117662_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1628117662_b.pdb or /var/tmp/from_scwrl_1628117662_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1628117662_a.pdb or decoys//var/tmp/from_scwrl_1628117662_a.pdb.gz for input Trying /var/tmp/from_scwrl_1628117662_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1628117662_a.pdb or /var/tmp/from_scwrl_1628117662_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1628117662.pdb or /var/tmp/from_scwrl_1628117662_b.pdb or /var/tmp/from_scwrl_1628117662_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 258 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_894920584.pdb -s /var/tmp/to_scwrl_894920584.seq -o /var/tmp/from_scwrl_894920584.pdb > /var/tmp/scwrl_894920584.log sh: /var/tmp/scwrl_894920584.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_894920584.pdb or /var/tmp/from_scwrl_894920584.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_894920584_b.pdb or decoys//var/tmp/from_scwrl_894920584_b.pdb.gz for input Trying /var/tmp/from_scwrl_894920584_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_894920584_b.pdb or /var/tmp/from_scwrl_894920584_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_894920584_a.pdb or decoys//var/tmp/from_scwrl_894920584_a.pdb.gz for input Trying /var/tmp/from_scwrl_894920584_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_894920584_a.pdb or /var/tmp/from_scwrl_894920584_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_894920584.pdb or /var/tmp/from_scwrl_894920584_b.pdb or /var/tmp/from_scwrl_894920584_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 229 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_835370711.pdb -s /var/tmp/to_scwrl_835370711.seq -o /var/tmp/from_scwrl_835370711.pdb > /var/tmp/scwrl_835370711.log sh: /var/tmp/scwrl_835370711.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_835370711.pdb or /var/tmp/from_scwrl_835370711.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_835370711_b.pdb or decoys//var/tmp/from_scwrl_835370711_b.pdb.gz for input Trying /var/tmp/from_scwrl_835370711_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_835370711_b.pdb or /var/tmp/from_scwrl_835370711_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_835370711_a.pdb or decoys//var/tmp/from_scwrl_835370711_a.pdb.gz for input Trying /var/tmp/from_scwrl_835370711_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_835370711_a.pdb or /var/tmp/from_scwrl_835370711_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_835370711.pdb or /var/tmp/from_scwrl_835370711_b.pdb or /var/tmp/from_scwrl_835370711_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 187 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_682283114.pdb -s /var/tmp/to_scwrl_682283114.seq -o /var/tmp/from_scwrl_682283114.pdb > /var/tmp/scwrl_682283114.log sh: /var/tmp/scwrl_682283114.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_682283114.pdb or /var/tmp/from_scwrl_682283114.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_682283114_b.pdb or decoys//var/tmp/from_scwrl_682283114_b.pdb.gz for input Trying /var/tmp/from_scwrl_682283114_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_682283114_b.pdb or /var/tmp/from_scwrl_682283114_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_682283114_a.pdb or decoys//var/tmp/from_scwrl_682283114_a.pdb.gz for input Trying /var/tmp/from_scwrl_682283114_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_682283114_a.pdb or /var/tmp/from_scwrl_682283114_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_682283114.pdb or /var/tmp/from_scwrl_682283114_b.pdb or /var/tmp/from_scwrl_682283114_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 251 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1767471200.pdb -s /var/tmp/to_scwrl_1767471200.seq -o /var/tmp/from_scwrl_1767471200.pdb > /var/tmp/scwrl_1767471200.log sh: /var/tmp/scwrl_1767471200.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1767471200.pdb or /var/tmp/from_scwrl_1767471200.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1767471200_b.pdb or decoys//var/tmp/from_scwrl_1767471200_b.pdb.gz for input Trying /var/tmp/from_scwrl_1767471200_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1767471200_b.pdb or /var/tmp/from_scwrl_1767471200_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1767471200_a.pdb or decoys//var/tmp/from_scwrl_1767471200_a.pdb.gz for input Trying /var/tmp/from_scwrl_1767471200_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1767471200_a.pdb or /var/tmp/from_scwrl_1767471200_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1767471200.pdb or /var/tmp/from_scwrl_1767471200_b.pdb or /var/tmp/from_scwrl_1767471200_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 Faking rotamer for incomplete or colinear backbone at (T0325)N107 Faking rotamer for incomplete or colinear backbone at (T0325)N107 # Found a chain break before 258 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1228664148.pdb -s /var/tmp/to_scwrl_1228664148.seq -o /var/tmp/from_scwrl_1228664148.pdb > /var/tmp/scwrl_1228664148.log sh: /var/tmp/scwrl_1228664148.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1228664148.pdb or /var/tmp/from_scwrl_1228664148.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1228664148_b.pdb or decoys//var/tmp/from_scwrl_1228664148_b.pdb.gz for input Trying /var/tmp/from_scwrl_1228664148_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1228664148_b.pdb or /var/tmp/from_scwrl_1228664148_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1228664148_a.pdb or decoys//var/tmp/from_scwrl_1228664148_a.pdb.gz for input Trying /var/tmp/from_scwrl_1228664148_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1228664148_a.pdb or /var/tmp/from_scwrl_1228664148_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1228664148.pdb or /var/tmp/from_scwrl_1228664148_b.pdb or /var/tmp/from_scwrl_1228664148_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 208 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_911609319.pdb -s /var/tmp/to_scwrl_911609319.seq -o /var/tmp/from_scwrl_911609319.pdb > /var/tmp/scwrl_911609319.log sh: /var/tmp/scwrl_911609319.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_911609319.pdb or /var/tmp/from_scwrl_911609319.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_911609319_b.pdb or decoys//var/tmp/from_scwrl_911609319_b.pdb.gz for input Trying /var/tmp/from_scwrl_911609319_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_911609319_b.pdb or /var/tmp/from_scwrl_911609319_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_911609319_a.pdb or decoys//var/tmp/from_scwrl_911609319_a.pdb.gz for input Trying /var/tmp/from_scwrl_911609319_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_911609319_a.pdb or /var/tmp/from_scwrl_911609319_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_911609319.pdb or /var/tmp/from_scwrl_911609319_b.pdb or /var/tmp/from_scwrl_911609319_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 154 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1919269472.pdb -s /var/tmp/to_scwrl_1919269472.seq -o /var/tmp/from_scwrl_1919269472.pdb > /var/tmp/scwrl_1919269472.log sh: /var/tmp/scwrl_1919269472.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1919269472.pdb or /var/tmp/from_scwrl_1919269472.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1919269472_b.pdb or decoys//var/tmp/from_scwrl_1919269472_b.pdb.gz for input Trying /var/tmp/from_scwrl_1919269472_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1919269472_b.pdb or /var/tmp/from_scwrl_1919269472_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1919269472_a.pdb or decoys//var/tmp/from_scwrl_1919269472_a.pdb.gz for input Trying /var/tmp/from_scwrl_1919269472_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1919269472_a.pdb or /var/tmp/from_scwrl_1919269472_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1919269472.pdb or /var/tmp/from_scwrl_1919269472_b.pdb or /var/tmp/from_scwrl_1919269472_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 238 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1104944637.pdb -s /var/tmp/to_scwrl_1104944637.seq -o /var/tmp/from_scwrl_1104944637.pdb > /var/tmp/scwrl_1104944637.log sh: /var/tmp/scwrl_1104944637.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1104944637.pdb or /var/tmp/from_scwrl_1104944637.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1104944637_b.pdb or decoys//var/tmp/from_scwrl_1104944637_b.pdb.gz for input Trying /var/tmp/from_scwrl_1104944637_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1104944637_b.pdb or /var/tmp/from_scwrl_1104944637_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1104944637_a.pdb or decoys//var/tmp/from_scwrl_1104944637_a.pdb.gz for input Trying /var/tmp/from_scwrl_1104944637_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1104944637_a.pdb or /var/tmp/from_scwrl_1104944637_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1104944637.pdb or /var/tmp/from_scwrl_1104944637_b.pdb or /var/tmp/from_scwrl_1104944637_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 239 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1115244473.pdb -s /var/tmp/to_scwrl_1115244473.seq -o /var/tmp/from_scwrl_1115244473.pdb > /var/tmp/scwrl_1115244473.log sh: /var/tmp/scwrl_1115244473.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1115244473.pdb or /var/tmp/from_scwrl_1115244473.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1115244473_b.pdb or decoys//var/tmp/from_scwrl_1115244473_b.pdb.gz for input Trying /var/tmp/from_scwrl_1115244473_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1115244473_b.pdb or /var/tmp/from_scwrl_1115244473_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1115244473_a.pdb or decoys//var/tmp/from_scwrl_1115244473_a.pdb.gz for input Trying /var/tmp/from_scwrl_1115244473_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1115244473_a.pdb or /var/tmp/from_scwrl_1115244473_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1115244473.pdb or /var/tmp/from_scwrl_1115244473_b.pdb or /var/tmp/from_scwrl_1115244473_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 236 ; scwrl3 -i /var/tmp/to_scwrl_1095823403.pdb -s /var/tmp/to_scwrl_1095823403.seq -o /var/tmp/from_scwrl_1095823403.pdb > /var/tmp/scwrl_1095823403.log sh: /var/tmp/scwrl_1095823403.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1095823403.pdb or /var/tmp/from_scwrl_1095823403.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1095823403_b.pdb or decoys//var/tmp/from_scwrl_1095823403_b.pdb.gz for input Trying /var/tmp/from_scwrl_1095823403_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1095823403_b.pdb or /var/tmp/from_scwrl_1095823403_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1095823403_a.pdb or decoys//var/tmp/from_scwrl_1095823403_a.pdb.gz for input Trying /var/tmp/from_scwrl_1095823403_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1095823403_a.pdb or /var/tmp/from_scwrl_1095823403_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1095823403.pdb or /var/tmp/from_scwrl_1095823403_b.pdb or /var/tmp/from_scwrl_1095823403_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 211 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_342714868.pdb -s /var/tmp/to_scwrl_342714868.seq -o /var/tmp/from_scwrl_342714868.pdb > /var/tmp/scwrl_342714868.log sh: /var/tmp/scwrl_342714868.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_342714868.pdb or /var/tmp/from_scwrl_342714868.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_342714868_b.pdb or decoys//var/tmp/from_scwrl_342714868_b.pdb.gz for input Trying /var/tmp/from_scwrl_342714868_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_342714868_b.pdb or /var/tmp/from_scwrl_342714868_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_342714868_a.pdb or decoys//var/tmp/from_scwrl_342714868_a.pdb.gz for input Trying /var/tmp/from_scwrl_342714868_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_342714868_a.pdb or /var/tmp/from_scwrl_342714868_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_342714868.pdb or /var/tmp/from_scwrl_342714868_b.pdb or /var/tmp/from_scwrl_342714868_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 241 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_202962219.pdb -s /var/tmp/to_scwrl_202962219.seq -o /var/tmp/from_scwrl_202962219.pdb > /var/tmp/scwrl_202962219.log sh: /var/tmp/scwrl_202962219.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_202962219.pdb or /var/tmp/from_scwrl_202962219.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_202962219_b.pdb or decoys//var/tmp/from_scwrl_202962219_b.pdb.gz for input Trying /var/tmp/from_scwrl_202962219_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_202962219_b.pdb or /var/tmp/from_scwrl_202962219_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_202962219_a.pdb or decoys//var/tmp/from_scwrl_202962219_a.pdb.gz for input Trying /var/tmp/from_scwrl_202962219_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_202962219_a.pdb or /var/tmp/from_scwrl_202962219_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_202962219.pdb or /var/tmp/from_scwrl_202962219_b.pdb or /var/tmp/from_scwrl_202962219_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: (T0325)N9.CA and (T0325)N9.CB only 0.000 apart, marking (T0325)N9.CB as missing WARNING: atoms too close: (T0325)V19.CA and (T0325)V19.CB only 0.000 apart, marking (T0325)V19.CB as missing WARNING: atoms too close: (T0325)E25.CA and (T0325)E25.CB only 0.000 apart, marking (T0325)E25.CB as missing WARNING: atoms too close: (T0325)T40.CA and (T0325)T40.CB only 0.000 apart, marking (T0325)T40.CB as missing WARNING: atoms too close: (T0325)Y43.CA and (T0325)Y43.CB only 0.000 apart, marking (T0325)Y43.CB as missing WARNING: atoms too close: (T0325)P73.CA and (T0325)P73.CB only 0.000 apart, marking (T0325)P73.CB as missing WARNING: atoms too close: (T0325)R77.CA and (T0325)R77.CB only 0.000 apart, marking (T0325)R77.CB as missing WARNING: atoms too close: (T0325)V80.CA and (T0325)V80.CB only 0.000 apart, marking (T0325)V80.CB as missing WARNING: atoms too close: (T0325)D85.CA and (T0325)D85.CB only 0.000 apart, marking (T0325)D85.CB as missing WARNING: atoms too close: (T0325)A87.CA and (T0325)A87.CB only 0.000 apart, marking (T0325)A87.CB as missing WARNING: atoms too close: (T0325)F90.CA and (T0325)F90.CB only 0.000 apart, marking (T0325)F90.CB as missing WARNING: atoms too close: (T0325)S94.CA and (T0325)S94.CB only 0.000 apart, marking (T0325)S94.CB as missing WARNING: atoms too close: (T0325)E97.CA and (T0325)E97.CB only 0.000 apart, marking (T0325)E97.CB as missing WARNING: atoms too close: (T0325)E103.CA and (T0325)E103.CB only 0.000 apart, marking (T0325)E103.CB as missing WARNING: atoms too close: (T0325)E108.CA and (T0325)E108.CB only 0.000 apart, marking (T0325)E108.CB as missing WARNING: atoms too close: (T0325)I114.CA and (T0325)I114.CB only 0.000 apart, marking (T0325)I114.CB as missing WARNING: atoms too close: (T0325)D124.CA and (T0325)D124.CB only 0.000 apart, marking (T0325)D124.CB as missing WARNING: atoms too close: (T0325)V132.CA and (T0325)V132.CB only 0.000 apart, marking (T0325)V132.CB as missing WARNING: atoms too close: (T0325)A147.CA and (T0325)A147.CB only 0.000 apart, marking (T0325)A147.CB as missing WARNING: atoms too close: (T0325)Y150.CA and (T0325)Y150.CB only 0.000 apart, marking (T0325)Y150.CB as missing WARNING: atoms too close: (T0325)S160.CA and (T0325)S160.CB only 0.000 apart, marking (T0325)S160.CB as missing WARNING: atoms too close: (T0325)T163.CA and (T0325)T163.CB only 0.000 apart, marking (T0325)T163.CB as missing WARNING: atoms too close: (T0325)Y166.CA and (T0325)Y166.CB only 0.000 apart, marking (T0325)Y166.CB as missing WARNING: atoms too close: (T0325)L169.CA and (T0325)L169.CB only 0.000 apart, marking (T0325)L169.CB as missing WARNING: atoms too close: (T0325)Q171.CA and (T0325)Q171.CB only 0.000 apart, marking (T0325)Q171.CB as missing WARNING: atoms too close: (T0325)K186.CA and (T0325)K186.CB only 0.000 apart, marking (T0325)K186.CB as missing WARNING: atoms too close: (T0325)T192.CA and (T0325)T192.CB only 0.000 apart, marking (T0325)T192.CB as missing WARNING: atoms too close: (T0325)I193.CA and (T0325)I193.CB only 0.000 apart, marking (T0325)I193.CB as missing WARNING: atoms too close: (T0325)M199.CA and (T0325)M199.CB only 0.000 apart, marking (T0325)M199.CB as missing WARNING: atoms too close: (T0325)E209.CA and (T0325)E209.CB only 0.000 apart, marking (T0325)E209.CB as missing WARNING: atoms too close: (T0325)C228.CA and (T0325)C228.CB only 0.000 apart, marking (T0325)C228.CB as missing WARNING: atoms too close: (T0325)E236.CA and (T0325)E236.CB only 0.000 apart, marking (T0325)E236.CB as missing WARNING: atoms too close: (T0325)S259.CA and (T0325)S259.CB only 0.000 apart, marking (T0325)S259.CB as missing # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_2009744273.pdb -s /var/tmp/to_scwrl_2009744273.seq -o /var/tmp/from_scwrl_2009744273.pdb > /var/tmp/scwrl_2009744273.log sh: /var/tmp/scwrl_2009744273.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2009744273.pdb or /var/tmp/from_scwrl_2009744273.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2009744273_b.pdb or decoys//var/tmp/from_scwrl_2009744273_b.pdb.gz for input Trying /var/tmp/from_scwrl_2009744273_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2009744273_b.pdb or /var/tmp/from_scwrl_2009744273_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2009744273_a.pdb or decoys//var/tmp/from_scwrl_2009744273_a.pdb.gz for input Trying /var/tmp/from_scwrl_2009744273_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2009744273_a.pdb or /var/tmp/from_scwrl_2009744273_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2009744273.pdb or /var/tmp/from_scwrl_2009744273_b.pdb or /var/tmp/from_scwrl_2009744273_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: (T0325)K4.CA and (T0325)K4.CB only 0.000 apart, marking (T0325)K4.CB as missing WARNING: atoms too close: (T0325)Y15.CA and (T0325)Y15.CB only 0.000 apart, marking (T0325)Y15.CB as missing WARNING: atoms too close: (T0325)I23.CA and (T0325)I23.CB only 0.000 apart, marking (T0325)I23.CB as missing WARNING: atoms too close: (T0325)L38.CA and (T0325)L38.CB only 0.000 apart, marking (T0325)L38.CB as missing WARNING: atoms too close: (T0325)Y43.CA and (T0325)Y43.CB only 0.000 apart, marking (T0325)Y43.CB as missing WARNING: atoms too close: (T0325)A51.CA and (T0325)A51.CB only 0.000 apart, marking (T0325)A51.CB as missing WARNING: atoms too close: (T0325)R52.CA and (T0325)R52.CB only 0.000 apart, marking (T0325)R52.CB as missing WARNING: atoms too close: (T0325)A59.CA and (T0325)A59.CB only 0.000 apart, marking (T0325)A59.CB as missing WARNING: atoms too close: (T0325)I60.CA and (T0325)I60.CB only 0.000 apart, marking (T0325)I60.CB as missing WARNING: atoms too close: (T0325)P73.CA and (T0325)P73.CB only 0.000 apart, marking (T0325)P73.CB as missing WARNING: atoms too close: (T0325)E78.CA and (T0325)E78.CB only 0.000 apart, marking (T0325)E78.CB as missing WARNING: atoms too close: (T0325)V80.CA and (T0325)V80.CB only 0.000 apart, marking (T0325)V80.CB as missing WARNING: atoms too close: (T0325)P81.CA and (T0325)P81.CB only 0.000 apart, marking (T0325)P81.CB as missing WARNING: atoms too close: (T0325)D85.CA and (T0325)D85.CB only 0.000 apart, marking (T0325)D85.CB as missing WARNING: atoms too close: (T0325)Y89.CA and (T0325)Y89.CB only 0.000 apart, marking (T0325)Y89.CB as missing WARNING: atoms too close: (T0325)E97.CA and (T0325)E97.CB only 0.000 apart, marking (T0325)E97.CB as missing WARNING: atoms too close: (T0325)I114.CA and (T0325)I114.CB only 0.000 apart, marking (T0325)I114.CB as missing WARNING: atoms too close: (T0325)M117.CA and (T0325)M117.CB only 0.000 apart, marking (T0325)M117.CB as missing WARNING: atoms too close: (T0325)D124.CA and (T0325)D124.CB only 0.000 apart, marking (T0325)D124.CB as missing WARNING: atoms too close: (T0325)R148.CA and (T0325)R148.CB only 0.000 apart, marking (T0325)R148.CB as missing WARNING: atoms too close: (T0325)Y150.CA and (T0325)Y150.CB only 0.000 apart, marking (T0325)Y150.CB as missing WARNING: atoms too close: (T0325)L154.CA and (T0325)L154.CB only 0.000 apart, marking (T0325)L154.CB as missing WARNING: atoms too close: (T0325)R155.CA and (T0325)R155.CB only 0.000 apart, marking (T0325)R155.CB as missing WARNING: atoms too close: (T0325)S158.CA and (T0325)S158.CB only 0.000 apart, marking (T0325)S158.CB as missing WARNING: atoms too close: (T0325)K164.CA and (T0325)K164.CB only 0.000 apart, marking (T0325)K164.CB as missing WARNING: atoms too close: (T0325)V173.CA and (T0325)V173.CB only 0.000 apart, marking (T0325)V173.CB as missing WARNING: atoms too close: (T0325)Y184.CA and (T0325)Y184.CB only 0.000 apart, marking (T0325)Y184.CB as missing WARNING: atoms too close: (T0325)I193.CA and (T0325)I193.CB only 0.000 apart, marking (T0325)I193.CB as missing WARNING: atoms too close: (T0325)L194.CA and (T0325)L194.CB only 0.000 apart, marking (T0325)L194.CB as missing WARNING: atoms too close: (T0325)Q222.CA and (T0325)Q222.CB only 0.000 apart, marking (T0325)Q222.CB as missing WARNING: atoms too close: (T0325)C228.CA and (T0325)C228.CB only 0.000 apart, marking (T0325)C228.CB as missing WARNING: atoms too close: (T0325)E236.CA and (T0325)E236.CB only 0.000 apart, marking (T0325)E236.CB as missing WARNING: atoms too close: (T0325)Q241.CA and (T0325)Q241.CB only 0.000 apart, marking (T0325)Q241.CB as missing WARNING: atoms too close: (T0325)K244.CA and (T0325)K244.CB only 0.000 apart, marking (T0325)K244.CB as missing WARNING: atoms too close: (T0325)E249.CA and (T0325)E249.CB only 0.000 apart, marking (T0325)E249.CB as missing WARNING: atoms too close: (T0325)L253.CA and (T0325)L253.CB only 0.000 apart, marking (T0325)L253.CB as missing WARNING: atoms too close: (T0325)M262.CA and (T0325)M262.CB only 0.000 apart, marking (T0325)M262.CB as missing # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_635802499.pdb -s /var/tmp/to_scwrl_635802499.seq -o /var/tmp/from_scwrl_635802499.pdb > /var/tmp/scwrl_635802499.log sh: /var/tmp/scwrl_635802499.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_635802499.pdb or /var/tmp/from_scwrl_635802499.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_635802499_b.pdb or decoys//var/tmp/from_scwrl_635802499_b.pdb.gz for input Trying /var/tmp/from_scwrl_635802499_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_635802499_b.pdb or /var/tmp/from_scwrl_635802499_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_635802499_a.pdb or decoys//var/tmp/from_scwrl_635802499_a.pdb.gz for input Trying /var/tmp/from_scwrl_635802499_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_635802499_a.pdb or /var/tmp/from_scwrl_635802499_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_635802499.pdb or /var/tmp/from_scwrl_635802499_b.pdb or /var/tmp/from_scwrl_635802499_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: (T0325)S2.CA and (T0325)S2.CB only 0.000 apart, marking (T0325)S2.CB as missing WARNING: atoms too close: (T0325)I7.CA and (T0325)I7.CB only 0.000 apart, marking (T0325)I7.CB as missing WARNING: atoms too close: (T0325)D11.CA and (T0325)D11.CB only 0.000 apart, marking (T0325)D11.CB as missing WARNING: atoms too close: (T0325)F13.CA and (T0325)F13.CB only 0.000 apart, marking (T0325)F13.CB as missing WARNING: atoms too close: (T0325)Q21.CA and (T0325)Q21.CB only 0.000 apart, marking (T0325)Q21.CB as missing WARNING: atoms too close: (T0325)L38.CA and (T0325)L38.CB only 0.000 apart, marking (T0325)L38.CB as missing WARNING: atoms too close: (T0325)T40.CA and (T0325)T40.CB only 0.000 apart, marking (T0325)T40.CB as missing WARNING: atoms too close: (T0325)S41.CA and (T0325)S41.CB only 0.000 apart, marking (T0325)S41.CB as missing WARNING: atoms too close: (T0325)P56.CA and (T0325)P56.CB only 0.000 apart, marking (T0325)P56.CB as missing WARNING: atoms too close: (T0325)T65.CA and (T0325)T65.CB only 0.000 apart, marking (T0325)T65.CB as missing WARNING: atoms too close: (T0325)S82.CA and (T0325)S82.CB only 0.000 apart, marking (T0325)S82.CB as missing WARNING: atoms too close: (T0325)V84.CA and (T0325)V84.CB only 0.000 apart, marking (T0325)V84.CB as missing WARNING: atoms too close: (T0325)F90.CA and (T0325)F90.CB only 0.000 apart, marking (T0325)F90.CB as missing WARNING: atoms too close: (T0325)V105.CA and (T0325)V105.CB only 0.000 apart, marking (T0325)V105.CB as missing WARNING: atoms too close: (T0325)I114.CA and (T0325)I114.CB only 0.000 apart, marking (T0325)I114.CB as missing WARNING: atoms too close: (T0325)H125.CA and (T0325)H125.CB only 0.000 apart, marking (T0325)H125.CB as missing WARNING: atoms too close: (T0325)D127.CA and (T0325)D127.CB only 0.000 apart, marking (T0325)D127.CB as missing WARNING: atoms too close: (T0325)K138.CA and (T0325)K138.CB only 0.000 apart, marking (T0325)K138.CB as missing WARNING: atoms too close: (T0325)A147.CA and (T0325)A147.CB only 0.000 apart, marking (T0325)A147.CB as missing WARNING: atoms too close: (T0325)K149.CA and (T0325)K149.CB only 0.000 apart, marking (T0325)K149.CB as missing WARNING: atoms too close: (T0325)Y150.CA and (T0325)Y150.CB only 0.000 apart, marking (T0325)Y150.CB as missing WARNING: atoms too close: (T0325)K164.CA and (T0325)K164.CB only 0.000 apart, marking (T0325)K164.CB as missing WARNING: atoms too close: (T0325)Q171.CA and (T0325)Q171.CB only 0.000 apart, marking (T0325)Q171.CB as missing WARNING: atoms too close: (T0325)K186.CA and (T0325)K186.CB only 0.000 apart, marking (T0325)K186.CB as missing WARNING: atoms too close: (T0325)I188.CA and (T0325)I188.CB only 0.000 apart, marking (T0325)I188.CB as missing WARNING: atoms too close: (T0325)T190.CA and (T0325)T190.CB only 0.000 apart, marking (T0325)T190.CB as missing WARNING: atoms too close: (T0325)L194.CA and (T0325)L194.CB only 0.000 apart, marking (T0325)L194.CB as missing WARNING: atoms too close: (T0325)L196.CA and (T0325)L196.CB only 0.000 apart, marking (T0325)L196.CB as missing WARNING: atoms too close: (T0325)I210.CA and (T0325)I210.CB only 0.000 apart, marking (T0325)I210.CB as missing WARNING: atoms too close: (T0325)R231.CA and (T0325)R231.CB only 0.000 apart, marking (T0325)R231.CB as missing WARNING: atoms too close: (T0325)L238.CA and (T0325)L238.CB only 0.000 apart, marking (T0325)L238.CB as missing WARNING: atoms too close: (T0325)R250.CA and (T0325)R250.CB only 0.000 apart, marking (T0325)R250.CB as missing WARNING: atoms too close: (T0325)L253.CA and (T0325)L253.CB only 0.000 apart, marking (T0325)L253.CB as missing WARNING: atoms too close: (T0325)A255.CA and (T0325)A255.CB only 0.000 apart, marking (T0325)A255.CB as missing WARNING: atoms too close: (T0325)S259.CA and (T0325)S259.CB only 0.000 apart, marking (T0325)S259.CB as missing WARNING: atoms too close: (T0325)M262.CA and (T0325)M262.CB only 0.000 apart, marking (T0325)M262.CB as missing # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1111538133.pdb -s /var/tmp/to_scwrl_1111538133.seq -o /var/tmp/from_scwrl_1111538133.pdb > /var/tmp/scwrl_1111538133.log sh: /var/tmp/scwrl_1111538133.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1111538133.pdb or /var/tmp/from_scwrl_1111538133.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1111538133_b.pdb or decoys//var/tmp/from_scwrl_1111538133_b.pdb.gz for input Trying /var/tmp/from_scwrl_1111538133_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1111538133_b.pdb or /var/tmp/from_scwrl_1111538133_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1111538133_a.pdb or decoys//var/tmp/from_scwrl_1111538133_a.pdb.gz for input Trying /var/tmp/from_scwrl_1111538133_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1111538133_a.pdb or /var/tmp/from_scwrl_1111538133_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1111538133.pdb or /var/tmp/from_scwrl_1111538133_b.pdb or /var/tmp/from_scwrl_1111538133_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: (T0325)M1.CA and (T0325)M1.CB only 0.000 apart, marking (T0325)M1.CB as missing WARNING: atoms too close: (T0325)K4.CA and (T0325)K4.CB only 0.000 apart, marking (T0325)K4.CB as missing WARNING: atoms too close: (T0325)I24.CA and (T0325)I24.CB only 0.000 apart, marking (T0325)I24.CB as missing WARNING: atoms too close: (T0325)Y43.CA and (T0325)Y43.CB only 0.000 apart, marking (T0325)Y43.CB as missing WARNING: atoms too close: (T0325)R52.CA and (T0325)R52.CB only 0.000 apart, marking (T0325)R52.CB as missing WARNING: atoms too close: (T0325)P56.CA and (T0325)P56.CB only 0.000 apart, marking (T0325)P56.CB as missing WARNING: atoms too close: (T0325)L58.CA and (T0325)L58.CB only 0.000 apart, marking (T0325)L58.CB as missing WARNING: atoms too close: (T0325)A59.CA and (T0325)A59.CB only 0.000 apart, marking (T0325)A59.CB as missing WARNING: atoms too close: (T0325)I60.CA and (T0325)I60.CB only 0.000 apart, marking (T0325)I60.CB as missing WARNING: atoms too close: (T0325)T65.CA and (T0325)T65.CB only 0.000 apart, marking (T0325)T65.CB as missing WARNING: atoms too close: (T0325)R77.CA and (T0325)R77.CB only 0.000 apart, marking (T0325)R77.CB as missing WARNING: atoms too close: (T0325)E97.CA and (T0325)E97.CB only 0.000 apart, marking (T0325)E97.CB as missing WARNING: atoms too close: (T0325)N101.CA and (T0325)N101.CB only 0.000 apart, marking (T0325)N101.CB as missing WARNING: atoms too close: (T0325)I113.CA and (T0325)I113.CB only 0.000 apart, marking (T0325)I113.CB as missing WARNING: atoms too close: (T0325)F116.CA and (T0325)F116.CB only 0.000 apart, marking (T0325)F116.CB as missing WARNING: atoms too close: (T0325)M117.CA and (T0325)M117.CB only 0.000 apart, marking (T0325)M117.CB as missing WARNING: atoms too close: (T0325)R122.CA and (T0325)R122.CB only 0.000 apart, marking (T0325)R122.CB as missing WARNING: atoms too close: (T0325)D124.CA and (T0325)D124.CB only 0.000 apart, marking (T0325)D124.CB as missing WARNING: atoms too close: (T0325)H129.CA and (T0325)H129.CB only 0.000 apart, marking (T0325)H129.CB as missing WARNING: atoms too close: (T0325)A145.CA and (T0325)A145.CB only 0.000 apart, marking (T0325)A145.CB as missing WARNING: atoms too close: (T0325)L146.CA and (T0325)L146.CB only 0.000 apart, marking (T0325)L146.CB as missing WARNING: atoms too close: (T0325)K149.CA and (T0325)K149.CB only 0.000 apart, marking (T0325)K149.CB as missing WARNING: atoms too close: (T0325)Y150.CA and (T0325)Y150.CB only 0.000 apart, marking (T0325)Y150.CB as missing WARNING: atoms too close: (T0325)T163.CA and (T0325)T163.CB only 0.000 apart, marking (T0325)T163.CB as missing WARNING: atoms too close: (T0325)D177.CA and (T0325)D177.CB only 0.000 apart, marking (T0325)D177.CB as missing WARNING: atoms too close: (T0325)K186.CA and (T0325)K186.CB only 0.000 apart, marking (T0325)K186.CB as missing WARNING: atoms too close: (T0325)I193.CA and (T0325)I193.CB only 0.000 apart, marking (T0325)I193.CB as missing WARNING: atoms too close: (T0325)L197.CA and (T0325)L197.CB only 0.000 apart, marking (T0325)L197.CB as missing WARNING: atoms too close: (T0325)S203.CA and (T0325)S203.CB only 0.000 apart, marking (T0325)S203.CB as missing WARNING: atoms too close: (T0325)V207.CA and (T0325)V207.CB only 0.000 apart, marking (T0325)V207.CB as missing WARNING: atoms too close: (T0325)C212.CA and (T0325)C212.CB only 0.000 apart, marking (T0325)C212.CB as missing WARNING: atoms too close: (T0325)H213.CA and (T0325)H213.CB only 0.000 apart, marking (T0325)H213.CB as missing WARNING: atoms too close: (T0325)N223.CA and (T0325)N223.CB only 0.000 apart, marking (T0325)N223.CB as missing WARNING: atoms too close: (T0325)S225.CA and (T0325)S225.CB only 0.000 apart, marking (T0325)S225.CB as missing WARNING: atoms too close: (T0325)L238.CA and (T0325)L238.CB only 0.000 apart, marking (T0325)L238.CB as missing WARNING: atoms too close: (T0325)L253.CA and (T0325)L253.CB only 0.000 apart, marking (T0325)L253.CB as missing WARNING: atoms too close: (T0325)A255.CA and (T0325)A255.CB only 0.000 apart, marking (T0325)A255.CB as missing WARNING: atoms too close: (T0325)S259.CA and (T0325)S259.CB only 0.000 apart, marking (T0325)S259.CB as missing # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_379297891.pdb -s /var/tmp/to_scwrl_379297891.seq -o /var/tmp/from_scwrl_379297891.pdb > /var/tmp/scwrl_379297891.log sh: /var/tmp/scwrl_379297891.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_379297891.pdb or /var/tmp/from_scwrl_379297891.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_379297891_b.pdb or decoys//var/tmp/from_scwrl_379297891_b.pdb.gz for input Trying /var/tmp/from_scwrl_379297891_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_379297891_b.pdb or /var/tmp/from_scwrl_379297891_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_379297891_a.pdb or decoys//var/tmp/from_scwrl_379297891_a.pdb.gz for input Trying /var/tmp/from_scwrl_379297891_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_379297891_a.pdb or /var/tmp/from_scwrl_379297891_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_379297891.pdb or /var/tmp/from_scwrl_379297891_b.pdb or /var/tmp/from_scwrl_379297891_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: (T0325)S2.CA and (T0325)S2.CB only 0.000 apart, marking (T0325)S2.CB as missing WARNING: atoms too close: (T0325)N9.CA and (T0325)N9.CB only 0.000 apart, marking (T0325)N9.CB as missing WARNING: atoms too close: (T0325)Q21.CA and (T0325)Q21.CB only 0.000 apart, marking (T0325)Q21.CB as missing WARNING: atoms too close: (T0325)I24.CA and (T0325)I24.CB only 0.000 apart, marking (T0325)I24.CB as missing WARNING: atoms too close: (T0325)M48.CA and (T0325)M48.CB only 0.000 apart, marking (T0325)M48.CB as missing WARNING: atoms too close: (T0325)A51.CA and (T0325)A51.CB only 0.000 apart, marking (T0325)A51.CB as missing WARNING: atoms too close: (T0325)A55.CA and (T0325)A55.CB only 0.000 apart, marking (T0325)A55.CB as missing WARNING: atoms too close: (T0325)L58.CA and (T0325)L58.CB only 0.000 apart, marking (T0325)L58.CB as missing WARNING: atoms too close: (T0325)I60.CA and (T0325)I60.CB only 0.000 apart, marking (T0325)I60.CB as missing WARNING: atoms too close: (T0325)L64.CA and (T0325)L64.CB only 0.000 apart, marking (T0325)L64.CB as missing WARNING: atoms too close: (T0325)Q70.CA and (T0325)Q70.CB only 0.000 apart, marking (T0325)Q70.CB as missing WARNING: atoms too close: (T0325)K72.CA and (T0325)K72.CB only 0.000 apart, marking (T0325)K72.CB as missing WARNING: atoms too close: (T0325)M79.CA and (T0325)M79.CB only 0.000 apart, marking (T0325)M79.CB as missing WARNING: atoms too close: (T0325)A87.CA and (T0325)A87.CB only 0.000 apart, marking (T0325)A87.CB as missing WARNING: atoms too close: (T0325)F90.CA and (T0325)F90.CB only 0.000 apart, marking (T0325)F90.CB as missing WARNING: atoms too close: (T0325)V100.CA and (T0325)V100.CB only 0.000 apart, marking (T0325)V100.CB as missing WARNING: atoms too close: (T0325)N101.CA and (T0325)N101.CB only 0.000 apart, marking (T0325)N101.CB as missing WARNING: atoms too close: (T0325)V105.CA and (T0325)V105.CB only 0.000 apart, marking (T0325)V105.CB as missing WARNING: atoms too close: (T0325)H125.CA and (T0325)H125.CB only 0.000 apart, marking (T0325)H125.CB as missing WARNING: atoms too close: (T0325)H130.CA and (T0325)H130.CB only 0.000 apart, marking (T0325)H130.CB as missing WARNING: atoms too close: (T0325)K149.CA and (T0325)K149.CB only 0.000 apart, marking (T0325)K149.CB as missing WARNING: atoms too close: (T0325)L152.CA and (T0325)L152.CB only 0.000 apart, marking (T0325)L152.CB as missing WARNING: atoms too close: (T0325)A157.CA and (T0325)A157.CB only 0.000 apart, marking (T0325)A157.CB as missing WARNING: atoms too close: (T0325)L169.CA and (T0325)L169.CB only 0.000 apart, marking (T0325)L169.CB as missing WARNING: atoms too close: (T0325)Q171.CA and (T0325)Q171.CB only 0.000 apart, marking (T0325)Q171.CB as missing WARNING: atoms too close: (T0325)T175.CA and (T0325)T175.CB only 0.000 apart, marking (T0325)T175.CB as missing WARNING: atoms too close: (T0325)L180.CA and (T0325)L180.CB only 0.000 apart, marking (T0325)L180.CB as missing WARNING: atoms too close: (T0325)Q182.CA and (T0325)Q182.CB only 0.000 apart, marking (T0325)Q182.CB as missing WARNING: atoms too close: (T0325)F183.CA and (T0325)F183.CB only 0.000 apart, marking (T0325)F183.CB as missing WARNING: atoms too close: (T0325)S189.CA and (T0325)S189.CB only 0.000 apart, marking (T0325)S189.CB as missing WARNING: atoms too close: (T0325)E206.CA and (T0325)E206.CB only 0.000 apart, marking (T0325)E206.CB as missing WARNING: atoms too close: (T0325)F208.CA and (T0325)F208.CB only 0.000 apart, marking (T0325)F208.CB as missing WARNING: atoms too close: (T0325)H213.CA and (T0325)H213.CB only 0.000 apart, marking (T0325)H213.CB as missing WARNING: atoms too close: (T0325)I232.CA and (T0325)I232.CB only 0.000 apart, marking (T0325)I232.CB as missing WARNING: atoms too close: (T0325)E236.CA and (T0325)E236.CB only 0.000 apart, marking (T0325)E236.CB as missing WARNING: atoms too close: (T0325)K244.CA and (T0325)K244.CB only 0.000 apart, marking (T0325)K244.CB as missing WARNING: atoms too close: (T0325)A246.CA and (T0325)A246.CB only 0.000 apart, marking (T0325)A246.CB as missing WARNING: atoms too close: (T0325)R250.CA and (T0325)R250.CB only 0.000 apart, marking (T0325)R250.CB as missing WARNING: atoms too close: (T0325)A255.CA and (T0325)A255.CB only 0.000 apart, marking (T0325)A255.CB as missing WARNING: atoms too close: (T0325)M262.CA and (T0325)M262.CB only 0.000 apart, marking (T0325)M262.CB as missing # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_859147255.pdb -s /var/tmp/to_scwrl_859147255.seq -o /var/tmp/from_scwrl_859147255.pdb > /var/tmp/scwrl_859147255.log sh: /var/tmp/scwrl_859147255.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_859147255.pdb or /var/tmp/from_scwrl_859147255.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_859147255_b.pdb or decoys//var/tmp/from_scwrl_859147255_b.pdb.gz for input Trying /var/tmp/from_scwrl_859147255_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_859147255_b.pdb or /var/tmp/from_scwrl_859147255_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_859147255_a.pdb or decoys//var/tmp/from_scwrl_859147255_a.pdb.gz for input Trying /var/tmp/from_scwrl_859147255_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_859147255_a.pdb or /var/tmp/from_scwrl_859147255_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_859147255.pdb or /var/tmp/from_scwrl_859147255_b.pdb or /var/tmp/from_scwrl_859147255_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 Skipped atom 2, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 4, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 6, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 8, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 10, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 12, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 14, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 16, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 18, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 20, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 22, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 24, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 94, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 96, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 98, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 100, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 106, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 108, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 122, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 124, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 126, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 128, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 142, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 144, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 146, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 148, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 170, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 172, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 174, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 176, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 190, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 192, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 194, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 196, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 242, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 244, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 246, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 248, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 250, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 252, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 254, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 256, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 258, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 260, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 262, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 264, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 278, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 280, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 282, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 284, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 286, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 288, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 290, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 292, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 294, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 296, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 298, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 300, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_2083877241.pdb -s /var/tmp/to_scwrl_2083877241.seq -o /var/tmp/from_scwrl_2083877241.pdb > /var/tmp/scwrl_2083877241.log sh: /var/tmp/scwrl_2083877241.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2083877241.pdb or /var/tmp/from_scwrl_2083877241.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2083877241_b.pdb or decoys//var/tmp/from_scwrl_2083877241_b.pdb.gz for input Trying /var/tmp/from_scwrl_2083877241_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2083877241_b.pdb or /var/tmp/from_scwrl_2083877241_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2083877241_a.pdb or decoys//var/tmp/from_scwrl_2083877241_a.pdb.gz for input Trying /var/tmp/from_scwrl_2083877241_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2083877241_a.pdb or /var/tmp/from_scwrl_2083877241_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2083877241.pdb or /var/tmp/from_scwrl_2083877241_b.pdb or /var/tmp/from_scwrl_2083877241_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 T0325 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1245412239.pdb -s /var/tmp/to_scwrl_1245412239.seq -o /var/tmp/from_scwrl_1245412239.pdb > /var/tmp/scwrl_1245412239.log sh: /var/tmp/scwrl_1245412239.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1245412239.pdb or /var/tmp/from_scwrl_1245412239.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1245412239_b.pdb or decoys//var/tmp/from_scwrl_1245412239_b.pdb.gz for input Trying /var/tmp/from_scwrl_1245412239_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1245412239_b.pdb or /var/tmp/from_scwrl_1245412239_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1245412239_a.pdb or decoys//var/tmp/from_scwrl_1245412239_a.pdb.gz for input Trying /var/tmp/from_scwrl_1245412239_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1245412239_a.pdb or /var/tmp/from_scwrl_1245412239_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1245412239.pdb or /var/tmp/from_scwrl_1245412239_b.pdb or /var/tmp/from_scwrl_1245412239_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 T0325 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_896798847.pdb -s /var/tmp/to_scwrl_896798847.seq -o /var/tmp/from_scwrl_896798847.pdb > /var/tmp/scwrl_896798847.log sh: /var/tmp/scwrl_896798847.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_896798847.pdb or /var/tmp/from_scwrl_896798847.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_896798847_b.pdb or decoys//var/tmp/from_scwrl_896798847_b.pdb.gz for input Trying /var/tmp/from_scwrl_896798847_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_896798847_b.pdb or /var/tmp/from_scwrl_896798847_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_896798847_a.pdb or decoys//var/tmp/from_scwrl_896798847_a.pdb.gz for input Trying /var/tmp/from_scwrl_896798847_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_896798847_a.pdb or /var/tmp/from_scwrl_896798847_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_896798847.pdb or /var/tmp/from_scwrl_896798847_b.pdb or /var/tmp/from_scwrl_896798847_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 T0325 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_756028360.pdb -s /var/tmp/to_scwrl_756028360.seq -o /var/tmp/from_scwrl_756028360.pdb > /var/tmp/scwrl_756028360.log sh: /var/tmp/scwrl_756028360.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_756028360.pdb or /var/tmp/from_scwrl_756028360.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_756028360_b.pdb or decoys//var/tmp/from_scwrl_756028360_b.pdb.gz for input Trying /var/tmp/from_scwrl_756028360_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_756028360_b.pdb or /var/tmp/from_scwrl_756028360_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_756028360_a.pdb or decoys//var/tmp/from_scwrl_756028360_a.pdb.gz for input Trying /var/tmp/from_scwrl_756028360_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_756028360_a.pdb or /var/tmp/from_scwrl_756028360_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_756028360.pdb or /var/tmp/from_scwrl_756028360_b.pdb or /var/tmp/from_scwrl_756028360_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 T0325 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_2108250821.pdb -s /var/tmp/to_scwrl_2108250821.seq -o /var/tmp/from_scwrl_2108250821.pdb > /var/tmp/scwrl_2108250821.log sh: /var/tmp/scwrl_2108250821.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2108250821.pdb or /var/tmp/from_scwrl_2108250821.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2108250821_b.pdb or decoys//var/tmp/from_scwrl_2108250821_b.pdb.gz for input Trying /var/tmp/from_scwrl_2108250821_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2108250821_b.pdb or /var/tmp/from_scwrl_2108250821_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2108250821_a.pdb or decoys//var/tmp/from_scwrl_2108250821_a.pdb.gz for input Trying /var/tmp/from_scwrl_2108250821_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2108250821_a.pdb or /var/tmp/from_scwrl_2108250821_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2108250821.pdb or /var/tmp/from_scwrl_2108250821_b.pdb or /var/tmp/from_scwrl_2108250821_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 257 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_240003756.pdb -s /var/tmp/to_scwrl_240003756.seq -o /var/tmp/from_scwrl_240003756.pdb > /var/tmp/scwrl_240003756.log sh: /var/tmp/scwrl_240003756.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_240003756.pdb or /var/tmp/from_scwrl_240003756.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_240003756_b.pdb or decoys//var/tmp/from_scwrl_240003756_b.pdb.gz for input Trying /var/tmp/from_scwrl_240003756_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_240003756_b.pdb or /var/tmp/from_scwrl_240003756_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_240003756_a.pdb or decoys//var/tmp/from_scwrl_240003756_a.pdb.gz for input Trying /var/tmp/from_scwrl_240003756_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_240003756_a.pdb or /var/tmp/from_scwrl_240003756_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_240003756.pdb or /var/tmp/from_scwrl_240003756_b.pdb or /var/tmp/from_scwrl_240003756_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 T0325 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1625676217.pdb -s /var/tmp/to_scwrl_1625676217.seq -o /var/tmp/from_scwrl_1625676217.pdb > /var/tmp/scwrl_1625676217.log sh: /var/tmp/scwrl_1625676217.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1625676217.pdb or /var/tmp/from_scwrl_1625676217.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1625676217_b.pdb or decoys//var/tmp/from_scwrl_1625676217_b.pdb.gz for input Trying /var/tmp/from_scwrl_1625676217_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1625676217_b.pdb or /var/tmp/from_scwrl_1625676217_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1625676217_a.pdb or decoys//var/tmp/from_scwrl_1625676217_a.pdb.gz for input Trying /var/tmp/from_scwrl_1625676217_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1625676217_a.pdb or /var/tmp/from_scwrl_1625676217_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1625676217.pdb or /var/tmp/from_scwrl_1625676217_b.pdb or /var/tmp/from_scwrl_1625676217_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 T0325 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_414797534.pdb -s /var/tmp/to_scwrl_414797534.seq -o /var/tmp/from_scwrl_414797534.pdb > /var/tmp/scwrl_414797534.log sh: /var/tmp/scwrl_414797534.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_414797534.pdb or /var/tmp/from_scwrl_414797534.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_414797534_b.pdb or decoys//var/tmp/from_scwrl_414797534_b.pdb.gz for input Trying /var/tmp/from_scwrl_414797534_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_414797534_b.pdb or /var/tmp/from_scwrl_414797534_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_414797534_a.pdb or decoys//var/tmp/from_scwrl_414797534_a.pdb.gz for input Trying /var/tmp/from_scwrl_414797534_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_414797534_a.pdb or /var/tmp/from_scwrl_414797534_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_414797534.pdb or /var/tmp/from_scwrl_414797534_b.pdb or /var/tmp/from_scwrl_414797534_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 T0325 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_274847777.pdb -s /var/tmp/to_scwrl_274847777.seq -o /var/tmp/from_scwrl_274847777.pdb > /var/tmp/scwrl_274847777.log sh: /var/tmp/scwrl_274847777.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_274847777.pdb or /var/tmp/from_scwrl_274847777.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_274847777_b.pdb or decoys//var/tmp/from_scwrl_274847777_b.pdb.gz for input Trying /var/tmp/from_scwrl_274847777_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_274847777_b.pdb or /var/tmp/from_scwrl_274847777_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_274847777_a.pdb or decoys//var/tmp/from_scwrl_274847777_a.pdb.gz for input Trying /var/tmp/from_scwrl_274847777_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_274847777_a.pdb or /var/tmp/from_scwrl_274847777_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_274847777.pdb or /var/tmp/from_scwrl_274847777_b.pdb or /var/tmp/from_scwrl_274847777_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 T0325 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_584645205.pdb -s /var/tmp/to_scwrl_584645205.seq -o /var/tmp/from_scwrl_584645205.pdb > /var/tmp/scwrl_584645205.log sh: /var/tmp/scwrl_584645205.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_584645205.pdb or /var/tmp/from_scwrl_584645205.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_584645205_b.pdb or decoys//var/tmp/from_scwrl_584645205_b.pdb.gz for input Trying /var/tmp/from_scwrl_584645205_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_584645205_b.pdb or /var/tmp/from_scwrl_584645205_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_584645205_a.pdb or decoys//var/tmp/from_scwrl_584645205_a.pdb.gz for input Trying /var/tmp/from_scwrl_584645205_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_584645205_a.pdb or /var/tmp/from_scwrl_584645205_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_584645205.pdb or /var/tmp/from_scwrl_584645205_b.pdb or /var/tmp/from_scwrl_584645205_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 228 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1767375556.pdb -s /var/tmp/to_scwrl_1767375556.seq -o /var/tmp/from_scwrl_1767375556.pdb > /var/tmp/scwrl_1767375556.log sh: /var/tmp/scwrl_1767375556.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1767375556.pdb or /var/tmp/from_scwrl_1767375556.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1767375556_b.pdb or decoys//var/tmp/from_scwrl_1767375556_b.pdb.gz for input Trying /var/tmp/from_scwrl_1767375556_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1767375556_b.pdb or /var/tmp/from_scwrl_1767375556_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1767375556_a.pdb or decoys//var/tmp/from_scwrl_1767375556_a.pdb.gz for input Trying /var/tmp/from_scwrl_1767375556_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1767375556_a.pdb or /var/tmp/from_scwrl_1767375556_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1767375556.pdb or /var/tmp/from_scwrl_1767375556_b.pdb or /var/tmp/from_scwrl_1767375556_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 223 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_879509167.pdb -s /var/tmp/to_scwrl_879509167.seq -o /var/tmp/from_scwrl_879509167.pdb > /var/tmp/scwrl_879509167.log sh: /var/tmp/scwrl_879509167.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_879509167.pdb or /var/tmp/from_scwrl_879509167.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_879509167_b.pdb or decoys//var/tmp/from_scwrl_879509167_b.pdb.gz for input Trying /var/tmp/from_scwrl_879509167_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_879509167_b.pdb or /var/tmp/from_scwrl_879509167_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_879509167_a.pdb or decoys//var/tmp/from_scwrl_879509167_a.pdb.gz for input Trying /var/tmp/from_scwrl_879509167_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_879509167_a.pdb or /var/tmp/from_scwrl_879509167_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_879509167.pdb or /var/tmp/from_scwrl_879509167_b.pdb or /var/tmp/from_scwrl_879509167_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 155 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_200816031.pdb -s /var/tmp/to_scwrl_200816031.seq -o /var/tmp/from_scwrl_200816031.pdb > /var/tmp/scwrl_200816031.log sh: /var/tmp/scwrl_200816031.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_200816031.pdb or /var/tmp/from_scwrl_200816031.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_200816031_b.pdb or decoys//var/tmp/from_scwrl_200816031_b.pdb.gz for input Trying /var/tmp/from_scwrl_200816031_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_200816031_b.pdb or /var/tmp/from_scwrl_200816031_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_200816031_a.pdb or decoys//var/tmp/from_scwrl_200816031_a.pdb.gz for input Trying /var/tmp/from_scwrl_200816031_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_200816031_a.pdb or /var/tmp/from_scwrl_200816031_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_200816031.pdb or /var/tmp/from_scwrl_200816031_b.pdb or /var/tmp/from_scwrl_200816031_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 208 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1248009571.pdb -s /var/tmp/to_scwrl_1248009571.seq -o /var/tmp/from_scwrl_1248009571.pdb > /var/tmp/scwrl_1248009571.log sh: /var/tmp/scwrl_1248009571.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1248009571.pdb or /var/tmp/from_scwrl_1248009571.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1248009571_b.pdb or decoys//var/tmp/from_scwrl_1248009571_b.pdb.gz for input Trying /var/tmp/from_scwrl_1248009571_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1248009571_b.pdb or /var/tmp/from_scwrl_1248009571_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1248009571_a.pdb or decoys//var/tmp/from_scwrl_1248009571_a.pdb.gz for input Trying /var/tmp/from_scwrl_1248009571_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1248009571_a.pdb or /var/tmp/from_scwrl_1248009571_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1248009571.pdb or /var/tmp/from_scwrl_1248009571_b.pdb or /var/tmp/from_scwrl_1248009571_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 260 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1774429750.pdb -s /var/tmp/to_scwrl_1774429750.seq -o /var/tmp/from_scwrl_1774429750.pdb > /var/tmp/scwrl_1774429750.log sh: /var/tmp/scwrl_1774429750.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1774429750.pdb or /var/tmp/from_scwrl_1774429750.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1774429750_b.pdb or decoys//var/tmp/from_scwrl_1774429750_b.pdb.gz for input Trying /var/tmp/from_scwrl_1774429750_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1774429750_b.pdb or /var/tmp/from_scwrl_1774429750_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1774429750_a.pdb or decoys//var/tmp/from_scwrl_1774429750_a.pdb.gz for input Trying /var/tmp/from_scwrl_1774429750_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1774429750_a.pdb or /var/tmp/from_scwrl_1774429750_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1774429750.pdb or /var/tmp/from_scwrl_1774429750_b.pdb or /var/tmp/from_scwrl_1774429750_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 83 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1036186742.pdb -s /var/tmp/to_scwrl_1036186742.seq -o /var/tmp/from_scwrl_1036186742.pdb > /var/tmp/scwrl_1036186742.log sh: /var/tmp/scwrl_1036186742.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1036186742.pdb or /var/tmp/from_scwrl_1036186742.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1036186742_b.pdb or decoys//var/tmp/from_scwrl_1036186742_b.pdb.gz for input Trying /var/tmp/from_scwrl_1036186742_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1036186742_b.pdb or /var/tmp/from_scwrl_1036186742_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1036186742_a.pdb or decoys//var/tmp/from_scwrl_1036186742_a.pdb.gz for input Trying /var/tmp/from_scwrl_1036186742_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1036186742_a.pdb or /var/tmp/from_scwrl_1036186742_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1036186742.pdb or /var/tmp/from_scwrl_1036186742_b.pdb or /var/tmp/from_scwrl_1036186742_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 254 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1930292686.pdb -s /var/tmp/to_scwrl_1930292686.seq -o /var/tmp/from_scwrl_1930292686.pdb > /var/tmp/scwrl_1930292686.log sh: /var/tmp/scwrl_1930292686.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1930292686.pdb or /var/tmp/from_scwrl_1930292686.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1930292686_b.pdb or decoys//var/tmp/from_scwrl_1930292686_b.pdb.gz for input Trying /var/tmp/from_scwrl_1930292686_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1930292686_b.pdb or /var/tmp/from_scwrl_1930292686_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1930292686_a.pdb or decoys//var/tmp/from_scwrl_1930292686_a.pdb.gz for input Trying /var/tmp/from_scwrl_1930292686_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1930292686_a.pdb or /var/tmp/from_scwrl_1930292686_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1930292686.pdb or /var/tmp/from_scwrl_1930292686_b.pdb or /var/tmp/from_scwrl_1930292686_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 260 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1394417304.pdb -s /var/tmp/to_scwrl_1394417304.seq -o /var/tmp/from_scwrl_1394417304.pdb > /var/tmp/scwrl_1394417304.log sh: /var/tmp/scwrl_1394417304.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1394417304.pdb or /var/tmp/from_scwrl_1394417304.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1394417304_b.pdb or decoys//var/tmp/from_scwrl_1394417304_b.pdb.gz for input Trying /var/tmp/from_scwrl_1394417304_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1394417304_b.pdb or /var/tmp/from_scwrl_1394417304_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1394417304_a.pdb or decoys//var/tmp/from_scwrl_1394417304_a.pdb.gz for input Trying /var/tmp/from_scwrl_1394417304_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1394417304_a.pdb or /var/tmp/from_scwrl_1394417304_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1394417304.pdb or /var/tmp/from_scwrl_1394417304_b.pdb or /var/tmp/from_scwrl_1394417304_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 213 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_117367244.pdb -s /var/tmp/to_scwrl_117367244.seq -o /var/tmp/from_scwrl_117367244.pdb > /var/tmp/scwrl_117367244.log sh: /var/tmp/scwrl_117367244.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_117367244.pdb or /var/tmp/from_scwrl_117367244.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_117367244_b.pdb or decoys//var/tmp/from_scwrl_117367244_b.pdb.gz for input Trying /var/tmp/from_scwrl_117367244_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_117367244_b.pdb or /var/tmp/from_scwrl_117367244_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_117367244_a.pdb or decoys//var/tmp/from_scwrl_117367244_a.pdb.gz for input Trying /var/tmp/from_scwrl_117367244_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_117367244_a.pdb or /var/tmp/from_scwrl_117367244_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_117367244.pdb or /var/tmp/from_scwrl_117367244_b.pdb or /var/tmp/from_scwrl_117367244_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 236 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_694418358.pdb -s /var/tmp/to_scwrl_694418358.seq -o /var/tmp/from_scwrl_694418358.pdb > /var/tmp/scwrl_694418358.log sh: /var/tmp/scwrl_694418358.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_694418358.pdb or /var/tmp/from_scwrl_694418358.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_694418358_b.pdb or decoys//var/tmp/from_scwrl_694418358_b.pdb.gz for input Trying /var/tmp/from_scwrl_694418358_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_694418358_b.pdb or /var/tmp/from_scwrl_694418358_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_694418358_a.pdb or decoys//var/tmp/from_scwrl_694418358_a.pdb.gz for input Trying /var/tmp/from_scwrl_694418358_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_694418358_a.pdb or /var/tmp/from_scwrl_694418358_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_694418358.pdb or /var/tmp/from_scwrl_694418358_b.pdb or /var/tmp/from_scwrl_694418358_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 188 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1166203129.pdb -s /var/tmp/to_scwrl_1166203129.seq -o /var/tmp/from_scwrl_1166203129.pdb > /var/tmp/scwrl_1166203129.log sh: /var/tmp/scwrl_1166203129.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1166203129.pdb or /var/tmp/from_scwrl_1166203129.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1166203129_b.pdb or decoys//var/tmp/from_scwrl_1166203129_b.pdb.gz for input Trying /var/tmp/from_scwrl_1166203129_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1166203129_b.pdb or /var/tmp/from_scwrl_1166203129_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1166203129_a.pdb or decoys//var/tmp/from_scwrl_1166203129_a.pdb.gz for input Trying /var/tmp/from_scwrl_1166203129_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1166203129_a.pdb or /var/tmp/from_scwrl_1166203129_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1166203129.pdb or /var/tmp/from_scwrl_1166203129_b.pdb or /var/tmp/from_scwrl_1166203129_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 236 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1222311881.pdb -s /var/tmp/to_scwrl_1222311881.seq -o /var/tmp/from_scwrl_1222311881.pdb > /var/tmp/scwrl_1222311881.log sh: /var/tmp/scwrl_1222311881.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1222311881.pdb or /var/tmp/from_scwrl_1222311881.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1222311881_b.pdb or decoys//var/tmp/from_scwrl_1222311881_b.pdb.gz for input Trying /var/tmp/from_scwrl_1222311881_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1222311881_b.pdb or /var/tmp/from_scwrl_1222311881_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1222311881_a.pdb or decoys//var/tmp/from_scwrl_1222311881_a.pdb.gz for input Trying /var/tmp/from_scwrl_1222311881_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1222311881_a.pdb or /var/tmp/from_scwrl_1222311881_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1222311881.pdb or /var/tmp/from_scwrl_1222311881_b.pdb or /var/tmp/from_scwrl_1222311881_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 241 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1809662831.pdb -s /var/tmp/to_scwrl_1809662831.seq -o /var/tmp/from_scwrl_1809662831.pdb > /var/tmp/scwrl_1809662831.log sh: /var/tmp/scwrl_1809662831.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1809662831.pdb or /var/tmp/from_scwrl_1809662831.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1809662831_b.pdb or decoys//var/tmp/from_scwrl_1809662831_b.pdb.gz for input Trying /var/tmp/from_scwrl_1809662831_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1809662831_b.pdb or /var/tmp/from_scwrl_1809662831_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1809662831_a.pdb or decoys//var/tmp/from_scwrl_1809662831_a.pdb.gz for input Trying /var/tmp/from_scwrl_1809662831_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1809662831_a.pdb or /var/tmp/from_scwrl_1809662831_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1809662831.pdb or /var/tmp/from_scwrl_1809662831_b.pdb or /var/tmp/from_scwrl_1809662831_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 256 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_114542887.pdb -s /var/tmp/to_scwrl_114542887.seq -o /var/tmp/from_scwrl_114542887.pdb > /var/tmp/scwrl_114542887.log sh: /var/tmp/scwrl_114542887.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_114542887.pdb or /var/tmp/from_scwrl_114542887.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_114542887_b.pdb or decoys//var/tmp/from_scwrl_114542887_b.pdb.gz for input Trying /var/tmp/from_scwrl_114542887_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_114542887_b.pdb or /var/tmp/from_scwrl_114542887_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_114542887_a.pdb or decoys//var/tmp/from_scwrl_114542887_a.pdb.gz for input Trying /var/tmp/from_scwrl_114542887_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_114542887_a.pdb or /var/tmp/from_scwrl_114542887_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_114542887.pdb or /var/tmp/from_scwrl_114542887_b.pdb or /var/tmp/from_scwrl_114542887_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 189 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1565026750.pdb -s /var/tmp/to_scwrl_1565026750.seq -o /var/tmp/from_scwrl_1565026750.pdb > /var/tmp/scwrl_1565026750.log sh: /var/tmp/scwrl_1565026750.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1565026750.pdb or /var/tmp/from_scwrl_1565026750.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1565026750_b.pdb or decoys//var/tmp/from_scwrl_1565026750_b.pdb.gz for input Trying /var/tmp/from_scwrl_1565026750_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1565026750_b.pdb or /var/tmp/from_scwrl_1565026750_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1565026750_a.pdb or decoys//var/tmp/from_scwrl_1565026750_a.pdb.gz for input Trying /var/tmp/from_scwrl_1565026750_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1565026750_a.pdb or /var/tmp/from_scwrl_1565026750_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1565026750.pdb or /var/tmp/from_scwrl_1565026750_b.pdb or /var/tmp/from_scwrl_1565026750_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 T0325 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_2012625050.pdb -s /var/tmp/to_scwrl_2012625050.seq -o /var/tmp/from_scwrl_2012625050.pdb > /var/tmp/scwrl_2012625050.log sh: /var/tmp/scwrl_2012625050.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2012625050.pdb or /var/tmp/from_scwrl_2012625050.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2012625050_b.pdb or decoys//var/tmp/from_scwrl_2012625050_b.pdb.gz for input Trying /var/tmp/from_scwrl_2012625050_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2012625050_b.pdb or /var/tmp/from_scwrl_2012625050_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2012625050_a.pdb or decoys//var/tmp/from_scwrl_2012625050_a.pdb.gz for input Trying /var/tmp/from_scwrl_2012625050_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2012625050_a.pdb or /var/tmp/from_scwrl_2012625050_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2012625050.pdb or /var/tmp/from_scwrl_2012625050_b.pdb or /var/tmp/from_scwrl_2012625050_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 T0325 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_2124287160.pdb -s /var/tmp/to_scwrl_2124287160.seq -o /var/tmp/from_scwrl_2124287160.pdb > /var/tmp/scwrl_2124287160.log sh: /var/tmp/scwrl_2124287160.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2124287160.pdb or /var/tmp/from_scwrl_2124287160.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2124287160_b.pdb or decoys//var/tmp/from_scwrl_2124287160_b.pdb.gz for input Trying /var/tmp/from_scwrl_2124287160_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2124287160_b.pdb or /var/tmp/from_scwrl_2124287160_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2124287160_a.pdb or decoys//var/tmp/from_scwrl_2124287160_a.pdb.gz for input Trying /var/tmp/from_scwrl_2124287160_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2124287160_a.pdb or /var/tmp/from_scwrl_2124287160_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2124287160.pdb or /var/tmp/from_scwrl_2124287160_b.pdb or /var/tmp/from_scwrl_2124287160_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 T0325 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_53345602.pdb -s /var/tmp/to_scwrl_53345602.seq -o /var/tmp/from_scwrl_53345602.pdb > /var/tmp/scwrl_53345602.log sh: /var/tmp/scwrl_53345602.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_53345602.pdb or /var/tmp/from_scwrl_53345602.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_53345602_b.pdb or decoys//var/tmp/from_scwrl_53345602_b.pdb.gz for input Trying /var/tmp/from_scwrl_53345602_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_53345602_b.pdb or /var/tmp/from_scwrl_53345602_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_53345602_a.pdb or decoys//var/tmp/from_scwrl_53345602_a.pdb.gz for input Trying /var/tmp/from_scwrl_53345602_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_53345602_a.pdb or /var/tmp/from_scwrl_53345602_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_53345602.pdb or /var/tmp/from_scwrl_53345602_b.pdb or /var/tmp/from_scwrl_53345602_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 T0325 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_976679538.pdb -s /var/tmp/to_scwrl_976679538.seq -o /var/tmp/from_scwrl_976679538.pdb > /var/tmp/scwrl_976679538.log sh: /var/tmp/scwrl_976679538.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_976679538.pdb or /var/tmp/from_scwrl_976679538.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_976679538_b.pdb or decoys//var/tmp/from_scwrl_976679538_b.pdb.gz for input Trying /var/tmp/from_scwrl_976679538_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_976679538_b.pdb or /var/tmp/from_scwrl_976679538_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_976679538_a.pdb or decoys//var/tmp/from_scwrl_976679538_a.pdb.gz for input Trying /var/tmp/from_scwrl_976679538_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_976679538_a.pdb or /var/tmp/from_scwrl_976679538_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_976679538.pdb or /var/tmp/from_scwrl_976679538_b.pdb or /var/tmp/from_scwrl_976679538_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 T0325 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_356101404.pdb -s /var/tmp/to_scwrl_356101404.seq -o /var/tmp/from_scwrl_356101404.pdb > /var/tmp/scwrl_356101404.log sh: /var/tmp/scwrl_356101404.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_356101404.pdb or /var/tmp/from_scwrl_356101404.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_356101404_b.pdb or decoys//var/tmp/from_scwrl_356101404_b.pdb.gz for input Trying /var/tmp/from_scwrl_356101404_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_356101404_b.pdb or /var/tmp/from_scwrl_356101404_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_356101404_a.pdb or decoys//var/tmp/from_scwrl_356101404_a.pdb.gz for input Trying /var/tmp/from_scwrl_356101404_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_356101404_a.pdb or /var/tmp/from_scwrl_356101404_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_356101404.pdb or /var/tmp/from_scwrl_356101404_b.pdb or /var/tmp/from_scwrl_356101404_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: atoms too close: (T0325)A157.CA and (T0325)D177.CA only 0.000 apart, marking (T0325)D177.CA as missing WARNING: atoms too close: (T0325)S158.CA and (T0325)E178.CA only 0.000 apart, marking (T0325)E178.CA as missing # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_912492857.pdb -s /var/tmp/to_scwrl_912492857.seq -o /var/tmp/from_scwrl_912492857.pdb > /var/tmp/scwrl_912492857.log sh: /var/tmp/scwrl_912492857.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_912492857.pdb or /var/tmp/from_scwrl_912492857.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_912492857_b.pdb or decoys//var/tmp/from_scwrl_912492857_b.pdb.gz for input Trying /var/tmp/from_scwrl_912492857_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_912492857_b.pdb or /var/tmp/from_scwrl_912492857_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_912492857_a.pdb or decoys//var/tmp/from_scwrl_912492857_a.pdb.gz for input Trying /var/tmp/from_scwrl_912492857_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_912492857_a.pdb or /var/tmp/from_scwrl_912492857_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_912492857.pdb or /var/tmp/from_scwrl_912492857_b.pdb or /var/tmp/from_scwrl_912492857_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 T0325 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_913073132.pdb -s /var/tmp/to_scwrl_913073132.seq -o /var/tmp/from_scwrl_913073132.pdb > /var/tmp/scwrl_913073132.log sh: /var/tmp/scwrl_913073132.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_913073132.pdb or /var/tmp/from_scwrl_913073132.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_913073132_b.pdb or decoys//var/tmp/from_scwrl_913073132_b.pdb.gz for input Trying /var/tmp/from_scwrl_913073132_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_913073132_b.pdb or /var/tmp/from_scwrl_913073132_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_913073132_a.pdb or decoys//var/tmp/from_scwrl_913073132_a.pdb.gz for input Trying /var/tmp/from_scwrl_913073132_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_913073132_a.pdb or /var/tmp/from_scwrl_913073132_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_913073132.pdb or /var/tmp/from_scwrl_913073132_b.pdb or /var/tmp/from_scwrl_913073132_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 Skipped atom 13, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 14, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 15, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 16, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 25, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 26, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 27, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 28, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 157, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 158, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 159, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 160, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 165, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 166, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 167, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 168, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 193, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 206, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 207, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 208, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 209, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 310, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 311, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 312, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 313, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 314, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 327, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 328, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 329, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 330, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 383, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 384, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 385, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 386, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1601513643.pdb -s /var/tmp/to_scwrl_1601513643.seq -o /var/tmp/from_scwrl_1601513643.pdb > /var/tmp/scwrl_1601513643.log sh: /var/tmp/scwrl_1601513643.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1601513643.pdb or /var/tmp/from_scwrl_1601513643.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1601513643_b.pdb or decoys//var/tmp/from_scwrl_1601513643_b.pdb.gz for input Trying /var/tmp/from_scwrl_1601513643_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1601513643_b.pdb or /var/tmp/from_scwrl_1601513643_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1601513643_a.pdb or decoys//var/tmp/from_scwrl_1601513643_a.pdb.gz for input Trying /var/tmp/from_scwrl_1601513643_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1601513643_a.pdb or /var/tmp/from_scwrl_1601513643_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1601513643.pdb or /var/tmp/from_scwrl_1601513643_b.pdb or /var/tmp/from_scwrl_1601513643_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 Skipped atom 57, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 170, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 255, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 308, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 313, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 366, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 419, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 420, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 465, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 526, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 675, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 688, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 705, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1809291704.pdb -s /var/tmp/to_scwrl_1809291704.seq -o /var/tmp/from_scwrl_1809291704.pdb > /var/tmp/scwrl_1809291704.log sh: /var/tmp/scwrl_1809291704.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1809291704.pdb or /var/tmp/from_scwrl_1809291704.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1809291704_b.pdb or decoys//var/tmp/from_scwrl_1809291704_b.pdb.gz for input Trying /var/tmp/from_scwrl_1809291704_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1809291704_b.pdb or /var/tmp/from_scwrl_1809291704_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1809291704_a.pdb or decoys//var/tmp/from_scwrl_1809291704_a.pdb.gz for input Trying /var/tmp/from_scwrl_1809291704_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1809291704_a.pdb or /var/tmp/from_scwrl_1809291704_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1809291704.pdb or /var/tmp/from_scwrl_1809291704_b.pdb or /var/tmp/from_scwrl_1809291704_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 Skipped atom 139, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 152, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 221, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 266, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 311, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 316, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1669101491.pdb -s /var/tmp/to_scwrl_1669101491.seq -o /var/tmp/from_scwrl_1669101491.pdb > /var/tmp/scwrl_1669101491.log sh: /var/tmp/scwrl_1669101491.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1669101491.pdb or /var/tmp/from_scwrl_1669101491.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1669101491_b.pdb or decoys//var/tmp/from_scwrl_1669101491_b.pdb.gz for input Trying /var/tmp/from_scwrl_1669101491_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1669101491_b.pdb or /var/tmp/from_scwrl_1669101491_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1669101491_a.pdb or decoys//var/tmp/from_scwrl_1669101491_a.pdb.gz for input Trying /var/tmp/from_scwrl_1669101491_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1669101491_a.pdb or /var/tmp/from_scwrl_1669101491_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1669101491.pdb or /var/tmp/from_scwrl_1669101491_b.pdb or /var/tmp/from_scwrl_1669101491_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 T0325 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1562280817.pdb -s /var/tmp/to_scwrl_1562280817.seq -o /var/tmp/from_scwrl_1562280817.pdb > /var/tmp/scwrl_1562280817.log sh: /var/tmp/scwrl_1562280817.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1562280817.pdb or /var/tmp/from_scwrl_1562280817.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1562280817_b.pdb or decoys//var/tmp/from_scwrl_1562280817_b.pdb.gz for input Trying /var/tmp/from_scwrl_1562280817_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1562280817_b.pdb or /var/tmp/from_scwrl_1562280817_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1562280817_a.pdb or decoys//var/tmp/from_scwrl_1562280817_a.pdb.gz for input Trying /var/tmp/from_scwrl_1562280817_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1562280817_a.pdb or /var/tmp/from_scwrl_1562280817_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1562280817.pdb or /var/tmp/from_scwrl_1562280817_b.pdb or /var/tmp/from_scwrl_1562280817_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 251 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_2049295460.pdb -s /var/tmp/to_scwrl_2049295460.seq -o /var/tmp/from_scwrl_2049295460.pdb > /var/tmp/scwrl_2049295460.log sh: /var/tmp/scwrl_2049295460.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2049295460.pdb or /var/tmp/from_scwrl_2049295460.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2049295460_b.pdb or decoys//var/tmp/from_scwrl_2049295460_b.pdb.gz for input Trying /var/tmp/from_scwrl_2049295460_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2049295460_b.pdb or /var/tmp/from_scwrl_2049295460_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2049295460_a.pdb or decoys//var/tmp/from_scwrl_2049295460_a.pdb.gz for input Trying /var/tmp/from_scwrl_2049295460_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2049295460_a.pdb or /var/tmp/from_scwrl_2049295460_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2049295460.pdb or /var/tmp/from_scwrl_2049295460_b.pdb or /var/tmp/from_scwrl_2049295460_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 251 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1147294061.pdb -s /var/tmp/to_scwrl_1147294061.seq -o /var/tmp/from_scwrl_1147294061.pdb > /var/tmp/scwrl_1147294061.log sh: /var/tmp/scwrl_1147294061.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1147294061.pdb or /var/tmp/from_scwrl_1147294061.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1147294061_b.pdb or decoys//var/tmp/from_scwrl_1147294061_b.pdb.gz for input Trying /var/tmp/from_scwrl_1147294061_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1147294061_b.pdb or /var/tmp/from_scwrl_1147294061_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1147294061_a.pdb or decoys//var/tmp/from_scwrl_1147294061_a.pdb.gz for input Trying /var/tmp/from_scwrl_1147294061_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1147294061_a.pdb or /var/tmp/from_scwrl_1147294061_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1147294061.pdb or /var/tmp/from_scwrl_1147294061_b.pdb or /var/tmp/from_scwrl_1147294061_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 256 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1977078351.pdb -s /var/tmp/to_scwrl_1977078351.seq -o /var/tmp/from_scwrl_1977078351.pdb > /var/tmp/scwrl_1977078351.log sh: /var/tmp/scwrl_1977078351.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1977078351.pdb or /var/tmp/from_scwrl_1977078351.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1977078351_b.pdb or decoys//var/tmp/from_scwrl_1977078351_b.pdb.gz for input Trying /var/tmp/from_scwrl_1977078351_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1977078351_b.pdb or /var/tmp/from_scwrl_1977078351_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1977078351_a.pdb or decoys//var/tmp/from_scwrl_1977078351_a.pdb.gz for input Trying /var/tmp/from_scwrl_1977078351_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1977078351_a.pdb or /var/tmp/from_scwrl_1977078351_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1977078351.pdb or /var/tmp/from_scwrl_1977078351_b.pdb or /var/tmp/from_scwrl_1977078351_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 255 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_176659590.pdb -s /var/tmp/to_scwrl_176659590.seq -o /var/tmp/from_scwrl_176659590.pdb > /var/tmp/scwrl_176659590.log sh: /var/tmp/scwrl_176659590.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_176659590.pdb or /var/tmp/from_scwrl_176659590.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_176659590_b.pdb or decoys//var/tmp/from_scwrl_176659590_b.pdb.gz for input Trying /var/tmp/from_scwrl_176659590_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_176659590_b.pdb or /var/tmp/from_scwrl_176659590_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_176659590_a.pdb or decoys//var/tmp/from_scwrl_176659590_a.pdb.gz for input Trying /var/tmp/from_scwrl_176659590_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_176659590_a.pdb or /var/tmp/from_scwrl_176659590_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_176659590.pdb or /var/tmp/from_scwrl_176659590_b.pdb or /var/tmp/from_scwrl_176659590_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 226 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1731939266.pdb -s /var/tmp/to_scwrl_1731939266.seq -o /var/tmp/from_scwrl_1731939266.pdb > /var/tmp/scwrl_1731939266.log sh: /var/tmp/scwrl_1731939266.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1731939266.pdb or /var/tmp/from_scwrl_1731939266.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1731939266_b.pdb or decoys//var/tmp/from_scwrl_1731939266_b.pdb.gz for input Trying /var/tmp/from_scwrl_1731939266_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1731939266_b.pdb or /var/tmp/from_scwrl_1731939266_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1731939266_a.pdb or decoys//var/tmp/from_scwrl_1731939266_a.pdb.gz for input Trying /var/tmp/from_scwrl_1731939266_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1731939266_a.pdb or /var/tmp/from_scwrl_1731939266_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1731939266.pdb or /var/tmp/from_scwrl_1731939266_b.pdb or /var/tmp/from_scwrl_1731939266_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 260 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1596970260.pdb -s /var/tmp/to_scwrl_1596970260.seq -o /var/tmp/from_scwrl_1596970260.pdb > /var/tmp/scwrl_1596970260.log sh: /var/tmp/scwrl_1596970260.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1596970260.pdb or /var/tmp/from_scwrl_1596970260.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1596970260_b.pdb or decoys//var/tmp/from_scwrl_1596970260_b.pdb.gz for input Trying /var/tmp/from_scwrl_1596970260_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1596970260_b.pdb or /var/tmp/from_scwrl_1596970260_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1596970260_a.pdb or decoys//var/tmp/from_scwrl_1596970260_a.pdb.gz for input Trying /var/tmp/from_scwrl_1596970260_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1596970260_a.pdb or /var/tmp/from_scwrl_1596970260_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1596970260.pdb or /var/tmp/from_scwrl_1596970260_b.pdb or /var/tmp/from_scwrl_1596970260_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 # Found a chain break before 261 # copying to AlignedFragments data structure # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1056168757.pdb -s /var/tmp/to_scwrl_1056168757.seq -o /var/tmp/from_scwrl_1056168757.pdb > /var/tmp/scwrl_1056168757.log sh: /var/tmp/scwrl_1056168757.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1056168757.pdb or /var/tmp/from_scwrl_1056168757.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1056168757_b.pdb or decoys//var/tmp/from_scwrl_1056168757_b.pdb.gz for input Trying /var/tmp/from_scwrl_1056168757_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1056168757_b.pdb or /var/tmp/from_scwrl_1056168757_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1056168757_a.pdb or decoys//var/tmp/from_scwrl_1056168757_a.pdb.gz for input Trying /var/tmp/from_scwrl_1056168757_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1056168757_a.pdb or /var/tmp/from_scwrl_1056168757_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1056168757.pdb or /var/tmp/from_scwrl_1056168757_b.pdb or /var/tmp/from_scwrl_1056168757_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 T0325 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1932755297.pdb -s /var/tmp/to_scwrl_1932755297.seq -o /var/tmp/from_scwrl_1932755297.pdb > /var/tmp/scwrl_1932755297.log sh: /var/tmp/scwrl_1932755297.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1932755297.pdb or /var/tmp/from_scwrl_1932755297.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1932755297_b.pdb or decoys//var/tmp/from_scwrl_1932755297_b.pdb.gz for input Trying /var/tmp/from_scwrl_1932755297_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1932755297_b.pdb or /var/tmp/from_scwrl_1932755297_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1932755297_a.pdb or decoys//var/tmp/from_scwrl_1932755297_a.pdb.gz for input Trying /var/tmp/from_scwrl_1932755297_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1932755297_a.pdb or /var/tmp/from_scwrl_1932755297_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1932755297.pdb or /var/tmp/from_scwrl_1932755297_b.pdb or /var/tmp/from_scwrl_1932755297_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 T0325 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_697496186.pdb -s /var/tmp/to_scwrl_697496186.seq -o /var/tmp/from_scwrl_697496186.pdb > /var/tmp/scwrl_697496186.log sh: /var/tmp/scwrl_697496186.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_697496186.pdb or /var/tmp/from_scwrl_697496186.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_697496186_b.pdb or decoys//var/tmp/from_scwrl_697496186_b.pdb.gz for input Trying /var/tmp/from_scwrl_697496186_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_697496186_b.pdb or /var/tmp/from_scwrl_697496186_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_697496186_a.pdb or decoys//var/tmp/from_scwrl_697496186_a.pdb.gz for input Trying /var/tmp/from_scwrl_697496186_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_697496186_a.pdb or /var/tmp/from_scwrl_697496186_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_697496186.pdb or /var/tmp/from_scwrl_697496186_b.pdb or /var/tmp/from_scwrl_697496186_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 T0325 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_683114860.pdb -s /var/tmp/to_scwrl_683114860.seq -o /var/tmp/from_scwrl_683114860.pdb > /var/tmp/scwrl_683114860.log sh: /var/tmp/scwrl_683114860.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_683114860.pdb or /var/tmp/from_scwrl_683114860.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_683114860_b.pdb or decoys//var/tmp/from_scwrl_683114860_b.pdb.gz for input Trying /var/tmp/from_scwrl_683114860_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_683114860_b.pdb or /var/tmp/from_scwrl_683114860_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_683114860_a.pdb or decoys//var/tmp/from_scwrl_683114860_a.pdb.gz for input Trying /var/tmp/from_scwrl_683114860_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_683114860_a.pdb or /var/tmp/from_scwrl_683114860_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_683114860.pdb or /var/tmp/from_scwrl_683114860_b.pdb or /var/tmp/from_scwrl_683114860_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 T0325 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_821458393.pdb -s /var/tmp/to_scwrl_821458393.seq -o /var/tmp/from_scwrl_821458393.pdb > /var/tmp/scwrl_821458393.log sh: /var/tmp/scwrl_821458393.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_821458393.pdb or /var/tmp/from_scwrl_821458393.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_821458393_b.pdb or decoys//var/tmp/from_scwrl_821458393_b.pdb.gz for input Trying /var/tmp/from_scwrl_821458393_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_821458393_b.pdb or /var/tmp/from_scwrl_821458393_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_821458393_a.pdb or decoys//var/tmp/from_scwrl_821458393_a.pdb.gz for input Trying /var/tmp/from_scwrl_821458393_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_821458393_a.pdb or /var/tmp/from_scwrl_821458393_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_821458393.pdb or /var/tmp/from_scwrl_821458393_b.pdb or /var/tmp/from_scwrl_821458393_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 T0325 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_480305225.pdb -s /var/tmp/to_scwrl_480305225.seq -o /var/tmp/from_scwrl_480305225.pdb > /var/tmp/scwrl_480305225.log sh: /var/tmp/scwrl_480305225.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_480305225.pdb or /var/tmp/from_scwrl_480305225.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_480305225_b.pdb or decoys//var/tmp/from_scwrl_480305225_b.pdb.gz for input Trying /var/tmp/from_scwrl_480305225_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_480305225_b.pdb or /var/tmp/from_scwrl_480305225_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_480305225_a.pdb or decoys//var/tmp/from_scwrl_480305225_a.pdb.gz for input Trying /var/tmp/from_scwrl_480305225_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_480305225_a.pdb or /var/tmp/from_scwrl_480305225_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_480305225.pdb or /var/tmp/from_scwrl_480305225_b.pdb or /var/tmp/from_scwrl_480305225_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 158 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_2077532164.pdb -s /var/tmp/to_scwrl_2077532164.seq -o /var/tmp/from_scwrl_2077532164.pdb > /var/tmp/scwrl_2077532164.log sh: /var/tmp/scwrl_2077532164.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2077532164.pdb or /var/tmp/from_scwrl_2077532164.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2077532164_b.pdb or decoys//var/tmp/from_scwrl_2077532164_b.pdb.gz for input Trying /var/tmp/from_scwrl_2077532164_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2077532164_b.pdb or /var/tmp/from_scwrl_2077532164_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2077532164_a.pdb or decoys//var/tmp/from_scwrl_2077532164_a.pdb.gz for input Trying /var/tmp/from_scwrl_2077532164_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2077532164_a.pdb or /var/tmp/from_scwrl_2077532164_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2077532164.pdb or /var/tmp/from_scwrl_2077532164_b.pdb or /var/tmp/from_scwrl_2077532164_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 169 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_938825637.pdb -s /var/tmp/to_scwrl_938825637.seq -o /var/tmp/from_scwrl_938825637.pdb > /var/tmp/scwrl_938825637.log sh: /var/tmp/scwrl_938825637.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_938825637.pdb or /var/tmp/from_scwrl_938825637.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_938825637_b.pdb or decoys//var/tmp/from_scwrl_938825637_b.pdb.gz for input Trying /var/tmp/from_scwrl_938825637_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_938825637_b.pdb or /var/tmp/from_scwrl_938825637_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_938825637_a.pdb or decoys//var/tmp/from_scwrl_938825637_a.pdb.gz for input Trying /var/tmp/from_scwrl_938825637_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_938825637_a.pdb or /var/tmp/from_scwrl_938825637_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_938825637.pdb or /var/tmp/from_scwrl_938825637_b.pdb or /var/tmp/from_scwrl_938825637_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 221 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1174723582.pdb -s /var/tmp/to_scwrl_1174723582.seq -o /var/tmp/from_scwrl_1174723582.pdb > /var/tmp/scwrl_1174723582.log sh: /var/tmp/scwrl_1174723582.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1174723582.pdb or /var/tmp/from_scwrl_1174723582.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1174723582_b.pdb or decoys//var/tmp/from_scwrl_1174723582_b.pdb.gz for input Trying /var/tmp/from_scwrl_1174723582_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1174723582_b.pdb or /var/tmp/from_scwrl_1174723582_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1174723582_a.pdb or decoys//var/tmp/from_scwrl_1174723582_a.pdb.gz for input Trying /var/tmp/from_scwrl_1174723582_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1174723582_a.pdb or /var/tmp/from_scwrl_1174723582_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1174723582.pdb or /var/tmp/from_scwrl_1174723582_b.pdb or /var/tmp/from_scwrl_1174723582_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 167 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1096251647.pdb -s /var/tmp/to_scwrl_1096251647.seq -o /var/tmp/from_scwrl_1096251647.pdb > /var/tmp/scwrl_1096251647.log sh: /var/tmp/scwrl_1096251647.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1096251647.pdb or /var/tmp/from_scwrl_1096251647.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1096251647_b.pdb or decoys//var/tmp/from_scwrl_1096251647_b.pdb.gz for input Trying /var/tmp/from_scwrl_1096251647_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1096251647_b.pdb or /var/tmp/from_scwrl_1096251647_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1096251647_a.pdb or decoys//var/tmp/from_scwrl_1096251647_a.pdb.gz for input Trying /var/tmp/from_scwrl_1096251647_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1096251647_a.pdb or /var/tmp/from_scwrl_1096251647_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1096251647.pdb or /var/tmp/from_scwrl_1096251647_b.pdb or /var/tmp/from_scwrl_1096251647_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 256 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_13653871.pdb -s /var/tmp/to_scwrl_13653871.seq -o /var/tmp/from_scwrl_13653871.pdb > /var/tmp/scwrl_13653871.log sh: /var/tmp/scwrl_13653871.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_13653871.pdb or /var/tmp/from_scwrl_13653871.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_13653871_b.pdb or decoys//var/tmp/from_scwrl_13653871_b.pdb.gz for input Trying /var/tmp/from_scwrl_13653871_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_13653871_b.pdb or /var/tmp/from_scwrl_13653871_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_13653871_a.pdb or decoys//var/tmp/from_scwrl_13653871_a.pdb.gz for input Trying /var/tmp/from_scwrl_13653871_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_13653871_a.pdb or /var/tmp/from_scwrl_13653871_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_13653871.pdb or /var/tmp/from_scwrl_13653871_b.pdb or /var/tmp/from_scwrl_13653871_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: (T0325)N9.O and (T0325)A10.N only 0.000 apart, marking (T0325)A10.N as missing # WARNING: incomplete conformation T0325 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 236 ; scwrl3 -i /var/tmp/to_scwrl_836902767.pdb -s /var/tmp/to_scwrl_836902767.seq -o /var/tmp/from_scwrl_836902767.pdb > /var/tmp/scwrl_836902767.log sh: /var/tmp/scwrl_836902767.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_836902767.pdb or /var/tmp/from_scwrl_836902767.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_836902767_b.pdb or decoys//var/tmp/from_scwrl_836902767_b.pdb.gz for input Trying /var/tmp/from_scwrl_836902767_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_836902767_b.pdb or /var/tmp/from_scwrl_836902767_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_836902767_a.pdb or decoys//var/tmp/from_scwrl_836902767_a.pdb.gz for input Trying /var/tmp/from_scwrl_836902767_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_836902767_a.pdb or /var/tmp/from_scwrl_836902767_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_836902767.pdb or /var/tmp/from_scwrl_836902767_b.pdb or /var/tmp/from_scwrl_836902767_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 WARNING: atoms too close: (T0325)S2.O and (T0325)N3.N only 0.000 apart, marking (T0325)N3.N as missing # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1210794534.pdb -s /var/tmp/to_scwrl_1210794534.seq -o /var/tmp/from_scwrl_1210794534.pdb > /var/tmp/scwrl_1210794534.log sh: /var/tmp/scwrl_1210794534.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1210794534.pdb or /var/tmp/from_scwrl_1210794534.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1210794534_b.pdb or decoys//var/tmp/from_scwrl_1210794534_b.pdb.gz for input Trying /var/tmp/from_scwrl_1210794534_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1210794534_b.pdb or /var/tmp/from_scwrl_1210794534_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1210794534_a.pdb or decoys//var/tmp/from_scwrl_1210794534_a.pdb.gz for input Trying /var/tmp/from_scwrl_1210794534_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1210794534_a.pdb or /var/tmp/from_scwrl_1210794534_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1210794534.pdb or /var/tmp/from_scwrl_1210794534_b.pdb or /var/tmp/from_scwrl_1210794534_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 259 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1578680621.pdb -s /var/tmp/to_scwrl_1578680621.seq -o /var/tmp/from_scwrl_1578680621.pdb > /var/tmp/scwrl_1578680621.log sh: /var/tmp/scwrl_1578680621.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1578680621.pdb or /var/tmp/from_scwrl_1578680621.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1578680621_b.pdb or decoys//var/tmp/from_scwrl_1578680621_b.pdb.gz for input Trying /var/tmp/from_scwrl_1578680621_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1578680621_b.pdb or /var/tmp/from_scwrl_1578680621_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1578680621_a.pdb or decoys//var/tmp/from_scwrl_1578680621_a.pdb.gz for input Trying /var/tmp/from_scwrl_1578680621_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1578680621_a.pdb or /var/tmp/from_scwrl_1578680621_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1578680621.pdb or /var/tmp/from_scwrl_1578680621_b.pdb or /var/tmp/from_scwrl_1578680621_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: (T0325)A87.O and (T0325)G88.N only 0.000 apart, marking (T0325)G88.N as missing # WARNING: incomplete conformation T0325 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 236 ; scwrl3 -i /var/tmp/to_scwrl_702044171.pdb -s /var/tmp/to_scwrl_702044171.seq -o /var/tmp/from_scwrl_702044171.pdb > /var/tmp/scwrl_702044171.log sh: /var/tmp/scwrl_702044171.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_702044171.pdb or /var/tmp/from_scwrl_702044171.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_702044171_b.pdb or decoys//var/tmp/from_scwrl_702044171_b.pdb.gz for input Trying /var/tmp/from_scwrl_702044171_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_702044171_b.pdb or /var/tmp/from_scwrl_702044171_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_702044171_a.pdb or decoys//var/tmp/from_scwrl_702044171_a.pdb.gz for input Trying /var/tmp/from_scwrl_702044171_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_702044171_a.pdb or /var/tmp/from_scwrl_702044171_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_702044171.pdb or /var/tmp/from_scwrl_702044171_b.pdb or /var/tmp/from_scwrl_702044171_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 WARNING: atoms too close: (T0325)T33.O and (T0325)S34.N only 0.000 apart, marking (T0325)S34.N as missing WARNING: atoms too close: (T0325)A87.O and (T0325)G88.N only 0.000 apart, marking (T0325)G88.N as missing # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1187598047.pdb -s /var/tmp/to_scwrl_1187598047.seq -o /var/tmp/from_scwrl_1187598047.pdb > /var/tmp/scwrl_1187598047.log sh: /var/tmp/scwrl_1187598047.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1187598047.pdb or /var/tmp/from_scwrl_1187598047.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1187598047_b.pdb or decoys//var/tmp/from_scwrl_1187598047_b.pdb.gz for input Trying /var/tmp/from_scwrl_1187598047_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1187598047_b.pdb or /var/tmp/from_scwrl_1187598047_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1187598047_a.pdb or decoys//var/tmp/from_scwrl_1187598047_a.pdb.gz for input Trying /var/tmp/from_scwrl_1187598047_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1187598047_a.pdb or /var/tmp/from_scwrl_1187598047_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1187598047.pdb or /var/tmp/from_scwrl_1187598047_b.pdb or /var/tmp/from_scwrl_1187598047_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 T0325 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1632026224.pdb -s /var/tmp/to_scwrl_1632026224.seq -o /var/tmp/from_scwrl_1632026224.pdb > /var/tmp/scwrl_1632026224.log sh: /var/tmp/scwrl_1632026224.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1632026224.pdb or /var/tmp/from_scwrl_1632026224.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1632026224_b.pdb or decoys//var/tmp/from_scwrl_1632026224_b.pdb.gz for input Trying /var/tmp/from_scwrl_1632026224_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1632026224_b.pdb or /var/tmp/from_scwrl_1632026224_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1632026224_a.pdb or decoys//var/tmp/from_scwrl_1632026224_a.pdb.gz for input Trying /var/tmp/from_scwrl_1632026224_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1632026224_a.pdb or /var/tmp/from_scwrl_1632026224_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1632026224.pdb or /var/tmp/from_scwrl_1632026224_b.pdb or /var/tmp/from_scwrl_1632026224_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 T0325 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1678723708.pdb -s /var/tmp/to_scwrl_1678723708.seq -o /var/tmp/from_scwrl_1678723708.pdb > /var/tmp/scwrl_1678723708.log sh: /var/tmp/scwrl_1678723708.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1678723708.pdb or /var/tmp/from_scwrl_1678723708.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1678723708_b.pdb or decoys//var/tmp/from_scwrl_1678723708_b.pdb.gz for input Trying /var/tmp/from_scwrl_1678723708_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1678723708_b.pdb or /var/tmp/from_scwrl_1678723708_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1678723708_a.pdb or decoys//var/tmp/from_scwrl_1678723708_a.pdb.gz for input Trying /var/tmp/from_scwrl_1678723708_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1678723708_a.pdb or /var/tmp/from_scwrl_1678723708_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1678723708.pdb or /var/tmp/from_scwrl_1678723708_b.pdb or /var/tmp/from_scwrl_1678723708_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 T0325 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1543699451.pdb -s /var/tmp/to_scwrl_1543699451.seq -o /var/tmp/from_scwrl_1543699451.pdb > /var/tmp/scwrl_1543699451.log sh: /var/tmp/scwrl_1543699451.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1543699451.pdb or /var/tmp/from_scwrl_1543699451.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1543699451_b.pdb or decoys//var/tmp/from_scwrl_1543699451_b.pdb.gz for input Trying /var/tmp/from_scwrl_1543699451_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1543699451_b.pdb or /var/tmp/from_scwrl_1543699451_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1543699451_a.pdb or decoys//var/tmp/from_scwrl_1543699451_a.pdb.gz for input Trying /var/tmp/from_scwrl_1543699451_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1543699451_a.pdb or /var/tmp/from_scwrl_1543699451_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1543699451.pdb or /var/tmp/from_scwrl_1543699451_b.pdb or /var/tmp/from_scwrl_1543699451_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 T0325 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_397035434.pdb -s /var/tmp/to_scwrl_397035434.seq -o /var/tmp/from_scwrl_397035434.pdb > /var/tmp/scwrl_397035434.log sh: /var/tmp/scwrl_397035434.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_397035434.pdb or /var/tmp/from_scwrl_397035434.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_397035434_b.pdb or decoys//var/tmp/from_scwrl_397035434_b.pdb.gz for input Trying /var/tmp/from_scwrl_397035434_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_397035434_b.pdb or /var/tmp/from_scwrl_397035434_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_397035434_a.pdb or decoys//var/tmp/from_scwrl_397035434_a.pdb.gz for input Trying /var/tmp/from_scwrl_397035434_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_397035434_a.pdb or /var/tmp/from_scwrl_397035434_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_397035434.pdb or /var/tmp/from_scwrl_397035434_b.pdb or /var/tmp/from_scwrl_397035434_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 T0325 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_444313193.pdb -s /var/tmp/to_scwrl_444313193.seq -o /var/tmp/from_scwrl_444313193.pdb > /var/tmp/scwrl_444313193.log sh: /var/tmp/scwrl_444313193.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_444313193.pdb or /var/tmp/from_scwrl_444313193.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_444313193_b.pdb or decoys//var/tmp/from_scwrl_444313193_b.pdb.gz for input Trying /var/tmp/from_scwrl_444313193_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_444313193_b.pdb or /var/tmp/from_scwrl_444313193_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_444313193_a.pdb or decoys//var/tmp/from_scwrl_444313193_a.pdb.gz for input Trying /var/tmp/from_scwrl_444313193_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_444313193_a.pdb or /var/tmp/from_scwrl_444313193_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_444313193.pdb or /var/tmp/from_scwrl_444313193_b.pdb or /var/tmp/from_scwrl_444313193_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 # Found a chain break before 259 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_997729449.pdb -s /var/tmp/to_scwrl_997729449.seq -o /var/tmp/from_scwrl_997729449.pdb > /var/tmp/scwrl_997729449.log sh: /var/tmp/scwrl_997729449.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_997729449.pdb or /var/tmp/from_scwrl_997729449.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_997729449_b.pdb or decoys//var/tmp/from_scwrl_997729449_b.pdb.gz for input Trying /var/tmp/from_scwrl_997729449_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_997729449_b.pdb or /var/tmp/from_scwrl_997729449_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_997729449_a.pdb or decoys//var/tmp/from_scwrl_997729449_a.pdb.gz for input Trying /var/tmp/from_scwrl_997729449_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_997729449_a.pdb or /var/tmp/from_scwrl_997729449_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_997729449.pdb or /var/tmp/from_scwrl_997729449_b.pdb or /var/tmp/from_scwrl_997729449_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 # Found a chain break before 240 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_58843491.pdb -s /var/tmp/to_scwrl_58843491.seq -o /var/tmp/from_scwrl_58843491.pdb > /var/tmp/scwrl_58843491.log sh: /var/tmp/scwrl_58843491.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_58843491.pdb or /var/tmp/from_scwrl_58843491.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_58843491_b.pdb or decoys//var/tmp/from_scwrl_58843491_b.pdb.gz for input Trying /var/tmp/from_scwrl_58843491_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_58843491_b.pdb or /var/tmp/from_scwrl_58843491_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_58843491_a.pdb or decoys//var/tmp/from_scwrl_58843491_a.pdb.gz for input Trying /var/tmp/from_scwrl_58843491_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_58843491_a.pdb or /var/tmp/from_scwrl_58843491_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_58843491.pdb or /var/tmp/from_scwrl_58843491_b.pdb or /var/tmp/from_scwrl_58843491_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 # Found a chain break before 232 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_2113414684.pdb -s /var/tmp/to_scwrl_2113414684.seq -o /var/tmp/from_scwrl_2113414684.pdb > /var/tmp/scwrl_2113414684.log sh: /var/tmp/scwrl_2113414684.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2113414684.pdb or /var/tmp/from_scwrl_2113414684.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2113414684_b.pdb or decoys//var/tmp/from_scwrl_2113414684_b.pdb.gz for input Trying /var/tmp/from_scwrl_2113414684_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2113414684_b.pdb or /var/tmp/from_scwrl_2113414684_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2113414684_a.pdb or decoys//var/tmp/from_scwrl_2113414684_a.pdb.gz for input Trying /var/tmp/from_scwrl_2113414684_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2113414684_a.pdb or /var/tmp/from_scwrl_2113414684_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2113414684.pdb or /var/tmp/from_scwrl_2113414684_b.pdb or /var/tmp/from_scwrl_2113414684_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 # Found a chain break before 232 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_412526619.pdb -s /var/tmp/to_scwrl_412526619.seq -o /var/tmp/from_scwrl_412526619.pdb > /var/tmp/scwrl_412526619.log sh: /var/tmp/scwrl_412526619.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_412526619.pdb or /var/tmp/from_scwrl_412526619.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_412526619_b.pdb or decoys//var/tmp/from_scwrl_412526619_b.pdb.gz for input Trying /var/tmp/from_scwrl_412526619_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_412526619_b.pdb or /var/tmp/from_scwrl_412526619_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_412526619_a.pdb or decoys//var/tmp/from_scwrl_412526619_a.pdb.gz for input Trying /var/tmp/from_scwrl_412526619_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_412526619_a.pdb or /var/tmp/from_scwrl_412526619_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_412526619.pdb or /var/tmp/from_scwrl_412526619_b.pdb or /var/tmp/from_scwrl_412526619_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 # Found a chain break before 260 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_2108138951.pdb -s /var/tmp/to_scwrl_2108138951.seq -o /var/tmp/from_scwrl_2108138951.pdb > /var/tmp/scwrl_2108138951.log sh: /var/tmp/scwrl_2108138951.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2108138951.pdb or /var/tmp/from_scwrl_2108138951.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2108138951_b.pdb or decoys//var/tmp/from_scwrl_2108138951_b.pdb.gz for input Trying /var/tmp/from_scwrl_2108138951_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2108138951_b.pdb or /var/tmp/from_scwrl_2108138951_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2108138951_a.pdb or decoys//var/tmp/from_scwrl_2108138951_a.pdb.gz for input Trying /var/tmp/from_scwrl_2108138951_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2108138951_a.pdb or /var/tmp/from_scwrl_2108138951_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2108138951.pdb or /var/tmp/from_scwrl_2108138951_b.pdb or /var/tmp/from_scwrl_2108138951_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 903 has residue number 1 < previous residue 262 in servers/mGen-3D_TS1.pdb.gz # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1113225098.pdb -s /var/tmp/to_scwrl_1113225098.seq -o /var/tmp/from_scwrl_1113225098.pdb > /var/tmp/scwrl_1113225098.log sh: /var/tmp/scwrl_1113225098.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1113225098.pdb or /var/tmp/from_scwrl_1113225098.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1113225098_b.pdb or decoys//var/tmp/from_scwrl_1113225098_b.pdb.gz for input Trying /var/tmp/from_scwrl_1113225098_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1113225098_b.pdb or /var/tmp/from_scwrl_1113225098_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1113225098_a.pdb or decoys//var/tmp/from_scwrl_1113225098_a.pdb.gz for input Trying /var/tmp/from_scwrl_1113225098_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1113225098_a.pdb or /var/tmp/from_scwrl_1113225098_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1113225098.pdb or /var/tmp/from_scwrl_1113225098_b.pdb or /var/tmp/from_scwrl_1113225098_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 T0325 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_242121324.pdb -s /var/tmp/to_scwrl_242121324.seq -o /var/tmp/from_scwrl_242121324.pdb > /var/tmp/scwrl_242121324.log sh: /var/tmp/scwrl_242121324.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_242121324.pdb or /var/tmp/from_scwrl_242121324.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_242121324_b.pdb or decoys//var/tmp/from_scwrl_242121324_b.pdb.gz for input Trying /var/tmp/from_scwrl_242121324_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_242121324_b.pdb or /var/tmp/from_scwrl_242121324_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_242121324_a.pdb or decoys//var/tmp/from_scwrl_242121324_a.pdb.gz for input Trying /var/tmp/from_scwrl_242121324_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_242121324_a.pdb or /var/tmp/from_scwrl_242121324_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_242121324.pdb or /var/tmp/from_scwrl_242121324_b.pdb or /var/tmp/from_scwrl_242121324_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 T0325 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_137314894.pdb -s /var/tmp/to_scwrl_137314894.seq -o /var/tmp/from_scwrl_137314894.pdb > /var/tmp/scwrl_137314894.log sh: /var/tmp/scwrl_137314894.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_137314894.pdb or /var/tmp/from_scwrl_137314894.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_137314894_b.pdb or decoys//var/tmp/from_scwrl_137314894_b.pdb.gz for input Trying /var/tmp/from_scwrl_137314894_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_137314894_b.pdb or /var/tmp/from_scwrl_137314894_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_137314894_a.pdb or decoys//var/tmp/from_scwrl_137314894_a.pdb.gz for input Trying /var/tmp/from_scwrl_137314894_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_137314894_a.pdb or /var/tmp/from_scwrl_137314894_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_137314894.pdb or /var/tmp/from_scwrl_137314894_b.pdb or /var/tmp/from_scwrl_137314894_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: atom 1 has residue number 32 < previous residue 262 in servers/nFOLD_TS3.pdb.gz # WARNING: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_697680718.pdb -s /var/tmp/to_scwrl_697680718.seq -o /var/tmp/from_scwrl_697680718.pdb > /var/tmp/scwrl_697680718.log sh: /var/tmp/scwrl_697680718.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_697680718.pdb or /var/tmp/from_scwrl_697680718.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_697680718_b.pdb or decoys//var/tmp/from_scwrl_697680718_b.pdb.gz for input Trying /var/tmp/from_scwrl_697680718_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_697680718_b.pdb or /var/tmp/from_scwrl_697680718_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_697680718_a.pdb or decoys//var/tmp/from_scwrl_697680718_a.pdb.gz for input Trying /var/tmp/from_scwrl_697680718_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_697680718_a.pdb or /var/tmp/from_scwrl_697680718_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_697680718.pdb or /var/tmp/from_scwrl_697680718_b.pdb or /var/tmp/from_scwrl_697680718_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: incomplete conformation T0325 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1839091584.pdb -s /var/tmp/to_scwrl_1839091584.seq -o /var/tmp/from_scwrl_1839091584.pdb > /var/tmp/scwrl_1839091584.log sh: /var/tmp/scwrl_1839091584.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1839091584.pdb or /var/tmp/from_scwrl_1839091584.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1839091584_b.pdb or decoys//var/tmp/from_scwrl_1839091584_b.pdb.gz for input Trying /var/tmp/from_scwrl_1839091584_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1839091584_b.pdb or /var/tmp/from_scwrl_1839091584_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1839091584_a.pdb or decoys//var/tmp/from_scwrl_1839091584_a.pdb.gz for input Trying /var/tmp/from_scwrl_1839091584_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1839091584_a.pdb or /var/tmp/from_scwrl_1839091584_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1839091584.pdb or /var/tmp/from_scwrl_1839091584_b.pdb or /var/tmp/from_scwrl_1839091584_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 T0325 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_1193483650.pdb -s /var/tmp/to_scwrl_1193483650.seq -o /var/tmp/from_scwrl_1193483650.pdb > /var/tmp/scwrl_1193483650.log sh: /var/tmp/scwrl_1193483650.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1193483650.pdb or /var/tmp/from_scwrl_1193483650.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1193483650_b.pdb or decoys//var/tmp/from_scwrl_1193483650_b.pdb.gz for input Trying /var/tmp/from_scwrl_1193483650_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1193483650_b.pdb or /var/tmp/from_scwrl_1193483650_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1193483650_a.pdb or decoys//var/tmp/from_scwrl_1193483650_a.pdb.gz for input Trying /var/tmp/from_scwrl_1193483650_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1193483650_a.pdb or /var/tmp/from_scwrl_1193483650_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1193483650.pdb or /var/tmp/from_scwrl_1193483650_b.pdb or /var/tmp/from_scwrl_1193483650_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 T0325 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_482952369.pdb -s /var/tmp/to_scwrl_482952369.seq -o /var/tmp/from_scwrl_482952369.pdb > /var/tmp/scwrl_482952369.log sh: /var/tmp/scwrl_482952369.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_482952369.pdb or /var/tmp/from_scwrl_482952369.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_482952369_b.pdb or decoys//var/tmp/from_scwrl_482952369_b.pdb.gz for input Trying /var/tmp/from_scwrl_482952369_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_482952369_b.pdb or /var/tmp/from_scwrl_482952369_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_482952369_a.pdb or decoys//var/tmp/from_scwrl_482952369_a.pdb.gz for input Trying /var/tmp/from_scwrl_482952369_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_482952369_a.pdb or /var/tmp/from_scwrl_482952369_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_482952369.pdb or /var/tmp/from_scwrl_482952369_b.pdb or /var/tmp/from_scwrl_482952369_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 T0325 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 236 ; scwrl3 -i /var/tmp/to_scwrl_389104123.pdb -s /var/tmp/to_scwrl_389104123.seq -o /var/tmp/from_scwrl_389104123.pdb > /var/tmp/scwrl_389104123.log sh: /var/tmp/scwrl_389104123.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_389104123.pdb or /var/tmp/from_scwrl_389104123.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_389104123_b.pdb or decoys//var/tmp/from_scwrl_389104123_b.pdb.gz for input Trying /var/tmp/from_scwrl_389104123_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_389104123_b.pdb or /var/tmp/from_scwrl_389104123_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_389104123_a.pdb or decoys//var/tmp/from_scwrl_389104123_a.pdb.gz for input Trying /var/tmp/from_scwrl_389104123_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_389104123_a.pdb or /var/tmp/from_scwrl_389104123_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_389104123.pdb or /var/tmp/from_scwrl_389104123_b.pdb or /var/tmp/from_scwrl_389104123_a.pdb Error: no new SCWRL conformation added # naming current conformation shub_TS1-scwrl # command:CPU_time= 77.994 sec, elapsed time= 95.202 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 115.930 real_cost = 226.703 panther2_TS1-scwrl costs 126.762 real_cost = 518.025 nFOLD_TS5-scwrl costs 86.625 real_cost = 390.650 nFOLD_TS4-scwrl costs 88.123 real_cost = 447.696 nFOLD_TS3-scwrl costs 88.141 real_cost = 402.604 nFOLD_TS2-scwrl costs 96.796 real_cost = 436.211 nFOLD_TS1-scwrl costs 88.282 real_cost = 402.739 mGen-3D_TS1-scwrl costs 88.968 real_cost = 358.841 keasar-server_TS5-scwrl costs 113.457 real_cost = 172.938 keasar-server_TS4-scwrl costs 107.484 real_cost = 212.292 keasar-server_TS3-scwrl costs 106.280 real_cost = 198.643 keasar-server_TS2-scwrl costs 115.662 real_cost = 205.569 keasar-server_TS1-scwrl costs 111.865 real_cost = 210.697 karypis.srv_TS5-scwrl costs 81.748 real_cost = 218.094 karypis.srv_TS4-scwrl costs 101.685 real_cost = 301.830 karypis.srv_TS3-scwrl costs 83.355 real_cost = 230.498 karypis.srv_TS2-scwrl costs 80.796 real_cost = 203.148 karypis.srv_TS1-scwrl costs 97.661 real_cost = 285.306 karypis.srv.4_TS5-scwrl costs 151.391 real_cost = 341.594 karypis.srv.4_TS4-scwrl costs 113.652 real_cost = 298.896 karypis.srv.4_TS3-scwrl costs 133.285 real_cost = 334.439 karypis.srv.4_TS2-scwrl costs 136.566 real_cost = 337.185 karypis.srv.4_TS1-scwrl costs 120.491 real_cost = 328.640 karypis.srv.2_TS5-scwrl costs 91.603 real_cost = 296.530 karypis.srv.2_TS4-scwrl costs 87.117 real_cost = 220.833 karypis.srv.2_TS3-scwrl costs 91.419 real_cost = 291.051 karypis.srv.2_TS2-scwrl costs 84.234 real_cost = 217.987 karypis.srv.2_TS1-scwrl costs 93.291 real_cost = 232.468 forecast-s_AL5-scwrl costs 130.101 real_cost = 718.487 forecast-s_AL4-scwrl costs 137.110 real_cost = 709.467 forecast-s_AL3-scwrl costs 103.320 real_cost = 590.152 forecast-s_AL2-scwrl costs 133.458 real_cost = 714.776 forecast-s_AL1-scwrl costs 114.996 real_cost = 524.492 beautshotbase_TS1-scwrl costs 90.083 real_cost = 135.723 beautshot_TS1-scwrl costs 116.190 real_cost = 190.020 Zhang-Server_TS5-scwrl costs 77.918 real_cost = 53.593 Zhang-Server_TS4-scwrl costs 79.877 real_cost = 42.092 Zhang-Server_TS3-scwrl costs 69.244 real_cost = 50.569 Zhang-Server_TS2-scwrl costs 83.223 real_cost = 79.544 Zhang-Server_TS1-scwrl costs 84.579 real_cost = 64.467 UNI-EID_sfst_AL5-scwrl costs 104.447 real_cost = 569.740 UNI-EID_sfst_AL4-scwrl costs 103.258 real_cost = 534.611 UNI-EID_sfst_AL3-scwrl costs 83.338 real_cost = 359.028 UNI-EID_sfst_AL2-scwrl costs 95.764 real_cost = 486.265 UNI-EID_sfst_AL1-scwrl costs 79.597 real_cost = 408.636 UNI-EID_expm_TS1-scwrl costs 120.602 real_cost = 295.364 UNI-EID_bnmx_TS5-scwrl costs 85.650 real_cost = 348.549 UNI-EID_bnmx_TS4-scwrl costs 87.902 real_cost = 400.637 UNI-EID_bnmx_TS3-scwrl costs 82.831 real_cost = 387.107 UNI-EID_bnmx_TS2-scwrl costs 110.241 real_cost = 424.318 UNI-EID_bnmx_TS1-scwrl costs 89.195 real_cost = 370.975 SPARKS2_TS5-scwrl costs 89.526 real_cost = 283.507 SPARKS2_TS4-scwrl costs 87.788 real_cost = 236.839 SPARKS2_TS3-scwrl costs 87.011 real_cost = 167.145 SPARKS2_TS2-scwrl costs 83.802 real_cost = 143.071 SPARKS2_TS1-scwrl costs 79.991 real_cost = 90.587 SP4_TS5-scwrl costs 89.868 real_cost = 273.701 SP4_TS4-scwrl costs 87.906 real_cost = 196.361 SP4_TS3-scwrl costs 76.216 real_cost = 164.257 SP4_TS2-scwrl costs 84.724 real_cost = 181.491 SP4_TS1-scwrl costs 75.593 real_cost = 96.506 SP3_TS5-scwrl costs 80.159 real_cost = 206.845 SP3_TS4-scwrl costs 83.298 real_cost = 190.967 SP3_TS3-scwrl costs 77.635 real_cost = 218.676 SP3_TS2-scwrl costs 97.656 real_cost = 165.957 SP3_TS1-scwrl costs 79.831 real_cost = 94.926 SAM_T06_server_TS5-scwrl costs 85.917 real_cost = 263.419 SAM_T06_server_TS4-scwrl costs 88.344 real_cost = 288.966 SAM_T06_server_TS3-scwrl costs 92.342 real_cost = 319.047 SAM_T06_server_TS2-scwrl costs 82.936 real_cost = 172.175 SAM_T06_server_TS1-scwrl costs 87.741 real_cost = 151.208 SAM-T02_AL5-scwrl costs 92.900 real_cost = 366.218 SAM-T02_AL4-scwrl costs 111.062 real_cost = 619.345 SAM-T02_AL3-scwrl costs 102.038 real_cost = 593.962 SAM-T02_AL2-scwrl costs 102.442 real_cost = 587.563 SAM-T02_AL1-scwrl costs 111.062 real_cost = 626.328 ROKKY_TS5-scwrl costs 54.074 real_cost = 439.833 ROKKY_TS4-scwrl costs 57.383 real_cost = 434.666 ROKKY_TS3-scwrl costs 50.681 real_cost = 399.305 ROKKY_TS2-scwrl costs 36.513 real_cost = 413.533 ROKKY_TS1-scwrl costs 56.730 real_cost = 428.803 ROBETTA_TS5-scwrl costs 65.584 real_cost = 126.451 ROBETTA_TS4-scwrl costs 60.232 real_cost = 142.118 ROBETTA_TS3-scwrl costs 55.755 real_cost = 113.470 ROBETTA_TS2-scwrl costs 65.892 real_cost = 144.492 ROBETTA_TS1-scwrl costs 60.289 real_cost = 140.738 RAPTOR_TS5-scwrl costs 84.962 real_cost = 153.058 RAPTOR_TS4-scwrl costs 76.345 real_cost = 117.277 RAPTOR_TS3-scwrl costs 112.986 real_cost = 298.360 RAPTOR_TS2-scwrl costs 83.263 real_cost = 176.846 RAPTOR_TS1-scwrl costs 74.114 real_cost = 184.442 RAPTORESS_TS5-scwrl costs 83.873 real_cost = 89.270 RAPTORESS_TS4-scwrl costs 89.069 real_cost = 174.947 RAPTORESS_TS3-scwrl costs 81.712 real_cost = 126.572 RAPTORESS_TS2-scwrl costs 90.647 real_cost = 231.655 RAPTORESS_TS1-scwrl costs 79.779 real_cost = 199.718 RAPTOR-ACE_TS5-scwrl costs 81.854 real_cost = 121.649 RAPTOR-ACE_TS4-scwrl costs 142.966 real_cost = 278.208 RAPTOR-ACE_TS3-scwrl costs 89.730 real_cost = 174.373 RAPTOR-ACE_TS2-scwrl costs 97.656 real_cost = 165.957 RAPTOR-ACE_TS1-scwrl costs 79.831 real_cost = 94.926 Pmodeller6_TS5-scwrl costs 60.289 real_cost = 140.738 Pmodeller6_TS4-scwrl costs 60.232 real_cost = 142.118 Pmodeller6_TS3-scwrl costs 55.755 real_cost = 113.470 Pmodeller6_TS2-scwrl costs 53.380 real_cost = 116.884 Pmodeller6_TS1-scwrl costs 58.434 real_cost = 79.220 Phyre-2_TS5-scwrl costs 96.186 real_cost = 194.140 Phyre-2_TS4-scwrl costs 93.373 real_cost = 206.552 Phyre-2_TS3-scwrl costs 89.361 real_cost = 205.030 Phyre-2_TS2-scwrl costs 89.226 real_cost = 167.188 Phyre-2_TS1-scwrl costs 90.975 real_cost = 157.339 Phyre-1_TS1-scwrl costs 90.749 real_cost = 189.275 Pcons6_TS5-scwrl costs 56.424 real_cost = 141.248 Pcons6_TS4-scwrl costs 59.899 real_cost = 127.808 Pcons6_TS3-scwrl costs 58.340 real_cost = 133.944 Pcons6_TS2-scwrl costs 57.343 real_cost = 152.449 Pcons6_TS1-scwrl costs 56.575 real_cost = 148.662 PROTINFO_TS5-scwrl costs 75.013 real_cost = 143.248 PROTINFO_TS4-scwrl costs 87.812 real_cost = 222.044 PROTINFO_TS3-scwrl costs 86.272 real_cost = 142.413 PROTINFO_TS2-scwrl costs 78.012 real_cost = 122.922 PROTINFO_TS1-scwrl costs 84.281 real_cost = 170.614 PROTINFO-AB_TS5-scwrl costs 70.220 real_cost = 156.365 PROTINFO-AB_TS4-scwrl costs 70.230 real_cost = 143.149 PROTINFO-AB_TS3-scwrl costs 70.776 real_cost = 185.333 PROTINFO-AB_TS2-scwrl costs 68.265 real_cost = 164.787 PROTINFO-AB_TS1-scwrl costs 72.649 real_cost = 150.154 POMYSL_TS5-scwrl costs 152.333 real_cost = 353.427 POMYSL_TS4-scwrl costs 155.752 real_cost = 347.984 POMYSL_TS3-scwrl costs 144.085 real_cost = 343.464 POMYSL_TS2-scwrl costs 129.456 real_cost = 340.206 POMYSL_TS1-scwrl costs 141.059 real_cost = 355.468 NN_PUT_lab_TS1-scwrl costs 82.425 real_cost = 254.324 MetaTasser_TS5-scwrl costs 117.951 real_cost = 119.727 MetaTasser_TS4-scwrl costs 106.210 real_cost = 115.453 MetaTasser_TS3-scwrl costs 98.852 real_cost = 126.907 MetaTasser_TS2-scwrl costs 97.160 real_cost = 118.602 MetaTasser_TS1-scwrl costs 98.485 real_cost = 102.480 Ma-OPUS-server_TS5-scwrl costs 91.765 real_cost = 255.996 Ma-OPUS-server_TS4-scwrl costs 87.737 real_cost = 245.307 Ma-OPUS-server_TS3-scwrl costs 84.863 real_cost = 251.958 Ma-OPUS-server_TS2-scwrl costs 84.802 real_cost = 252.730 Ma-OPUS-server_TS1-scwrl costs 85.123 real_cost = 303.083 Ma-OPUS-server2_TS5-scwrl costs 94.795 real_cost = 311.894 Ma-OPUS-server2_TS4-scwrl costs 82.130 real_cost = 273.211 Ma-OPUS-server2_TS3-scwrl costs 84.802 real_cost = 252.730 Ma-OPUS-server2_TS2-scwrl costs 83.088 real_cost = 305.407 Ma-OPUS-server2_TS1-scwrl costs 95.111 real_cost = 261.301 LOOPP_TS5-scwrl costs 78.232 real_cost = 292.938 LOOPP_TS4-scwrl costs 78.015 real_cost = 140.229 LOOPP_TS3-scwrl costs 80.122 real_cost = 267.894 LOOPP_TS2-scwrl costs 89.697 real_cost = 274.534 LOOPP_TS1-scwrl costs 82.425 real_cost = 254.324 Huber-Torda-Server_TS5-scwrl costs 93.360 real_cost = 517.503 Huber-Torda-Server_TS4-scwrl costs 96.526 real_cost = 579.457 Huber-Torda-Server_TS3-scwrl costs 97.734 real_cost = 401.576 Huber-Torda-Server_TS2-scwrl costs 101.320 real_cost = 565.329 Huber-Torda-Server_TS1-scwrl costs 102.716 real_cost = 540.265 HHpred3_TS1-scwrl costs 88.529 real_cost = 131.576 HHpred2_TS1-scwrl costs 85.125 real_cost = 124.486 HHpred1_TS1-scwrl costs 99.277 real_cost = 150.638 GeneSilicoMetaServer_TS5-scwrl costs 75.610 real_cost = 137.197 GeneSilicoMetaServer_TS4-scwrl costs 81.743 real_cost = 140.086 GeneSilicoMetaServer_TS3-scwrl costs 75.752 real_cost = 147.034 GeneSilicoMetaServer_TS2-scwrl costs 82.104 real_cost = 185.590 GeneSilicoMetaServer_TS1-scwrl costs 81.819 real_cost = 159.029 FUNCTION_TS5-scwrl costs 123.454 real_cost = 282.991 FUNCTION_TS4-scwrl costs 127.959 real_cost = 281.808 FUNCTION_TS3-scwrl costs 120.791 real_cost = 286.070 FUNCTION_TS2-scwrl costs 111.577 real_cost = 155.965 FUNCTION_TS1-scwrl costs 113.188 real_cost = 134.671 FUGUE_AL5-scwrl costs 105.522 real_cost = 591.135 FUGUE_AL4-scwrl costs 103.720 real_cost = 552.862 FUGUE_AL3-scwrl costs 110.667 real_cost = 576.856 FUGUE_AL1-scwrl costs 111.088 real_cost = 508.057 FUGMOD_TS5-scwrl costs 104.198 real_cost = 547.823 FUGMOD_TS4-scwrl costs 103.668 real_cost = 306.284 FUGMOD_TS3-scwrl costs 111.033 real_cost = 316.872 FUGMOD_TS2-scwrl costs 81.052 real_cost = 272.761 FUGMOD_TS1-scwrl costs 101.371 real_cost = 284.135 FPSOLVER-SERVER_TS5-scwrl costs 96.730 real_cost = 284.004 FPSOLVER-SERVER_TS4-scwrl costs 104.072 real_cost = 295.039 FPSOLVER-SERVER_TS3-scwrl costs 114.561 real_cost = 325.823 FPSOLVER-SERVER_TS2-scwrl costs 106.427 real_cost = 296.977 FPSOLVER-SERVER_TS1-scwrl costs 110.900 real_cost = 328.240 FORTE2_AL5-scwrl costs 101.854 real_cost = 516.954 FORTE2_AL4-scwrl costs 97.631 real_cost = 522.486 FORTE2_AL3-scwrl costs 111.860 real_cost = 544.816 FORTE2_AL2-scwrl costs 103.068 real_cost = 401.646 FORTE2_AL1-scwrl costs 94.822 real_cost = 384.214 FORTE1_AL5-scwrl costs 132.669 real_cost = 575.921 FORTE1_AL4-scwrl costs 97.658 real_cost = 522.126 FORTE1_AL3-scwrl costs 111.860 real_cost = 544.816 FORTE1_AL2-scwrl costs 103.068 real_cost = 401.646 FORTE1_AL1-scwrl costs 94.822 real_cost = 384.214 FOLDpro_TS5-scwrl costs 135.723 real_cost = 321.715 FOLDpro_TS4-scwrl costs 108.397 real_cost = 305.481 FOLDpro_TS3-scwrl costs 100.470 real_cost = 287.433 FOLDpro_TS2-scwrl costs 117.327 real_cost = 318.912 FOLDpro_TS1-scwrl costs 80.495 real_cost = 183.240 FAMS_TS5-scwrl costs 86.035 real_cost = 97.603 FAMS_TS4-scwrl costs 104.867 real_cost = 111.102 FAMS_TS3-scwrl costs 106.613 real_cost = 120.321 FAMS_TS2-scwrl costs 102.783 real_cost = 124.425 FAMS_TS1-scwrl costs 89.560 real_cost = 109.907 FAMSD_TS5-scwrl costs 113.691 real_cost = 166.051 FAMSD_TS4-scwrl costs 108.039 real_cost = 143.782 FAMSD_TS3-scwrl costs 103.036 real_cost = 194.516 FAMSD_TS2-scwrl costs 95.918 real_cost = 119.251 FAMSD_TS1-scwrl costs 102.920 real_cost = 118.318 Distill_TS5-scwrl costs 235.409 real_cost = 588.623 Distill_TS4-scwrl costs 234.065 real_cost = 592.095 Distill_TS3-scwrl costs 233.156 real_cost = 600.491 Distill_TS2-scwrl costs 231.597 real_cost = 585.748 Distill_TS1-scwrl costs 232.957 real_cost = 566.198 CaspIta-FOX_TS5-scwrl costs 94.484 real_cost = 404.762 CaspIta-FOX_TS4-scwrl costs 98.738 real_cost = 379.902 CaspIta-FOX_TS3-scwrl costs 110.049 real_cost = 324.212 CaspIta-FOX_TS2-scwrl costs 96.794 real_cost = 336.053 CaspIta-FOX_TS1-scwrl costs 91.522 real_cost = 435.667 CIRCLE_TS5-scwrl costs 106.613 real_cost = 120.321 CIRCLE_TS4-scwrl costs 86.035 real_cost = 97.603 CIRCLE_TS3-scwrl costs 102.783 real_cost = 124.425 CIRCLE_TS2-scwrl costs 104.867 real_cost = 111.102 CIRCLE_TS1-scwrl costs 84.721 real_cost = 119.209 Bilab-ENABLE_TS5-scwrl costs 59.577 real_cost = 273.673 Bilab-ENABLE_TS4-scwrl costs 61.388 real_cost = 302.591 Bilab-ENABLE_TS3-scwrl costs 58.726 real_cost = 320.364 Bilab-ENABLE_TS2-scwrl costs 55.663 real_cost = 309.538 Bilab-ENABLE_TS1-scwrl costs 61.218 real_cost = 293.052 BayesHH_TS1-scwrl costs 86.027 real_cost = 99.728 ABIpro_TS5-scwrl costs 74.869 real_cost = 249.972 ABIpro_TS4-scwrl costs 64.315 real_cost = 267.574 ABIpro_TS3-scwrl costs 67.682 real_cost = 280.658 ABIpro_TS2-scwrl costs 64.477 real_cost = 275.702 ABIpro_TS1-scwrl costs 80.227 real_cost = 263.596 3Dpro_TS5-scwrl costs 110.845 real_cost = 267.174 3Dpro_TS4-scwrl costs 90.470 real_cost = 273.131 3Dpro_TS3-scwrl costs 112.454 real_cost = 320.864 3Dpro_TS2-scwrl costs 107.549 real_cost = 332.699 3Dpro_TS1-scwrl costs 81.345 real_cost = 177.828 3D-JIGSAW_TS5-scwrl costs 115.747 real_cost = 298.446 3D-JIGSAW_TS4-scwrl costs 107.697 real_cost = 240.097 3D-JIGSAW_TS3-scwrl costs 100.152 real_cost = 287.132 3D-JIGSAW_TS2-scwrl costs 95.370 real_cost = 331.489 3D-JIGSAW_TS1-scwrl costs 98.192 real_cost = 341.105 3D-JIGSAW_RECOM_TS3-scwrl costs 110.259 real_cost = 312.283 3D-JIGSAW_RECOM_TS2-scwrl costs 108.777 real_cost = 308.449 3D-JIGSAW_RECOM_TS1-scwrl costs 108.948 real_cost = 405.838 3D-JIGSAW_POPULUS_TS5-scwrl costs 101.944 real_cost = 267.312 3D-JIGSAW_POPULUS_TS4-scwrl costs 101.849 real_cost = 263.680 3D-JIGSAW_POPULUS_TS3-scwrl costs 101.016 real_cost = 262.959 3D-JIGSAW_POPULUS_TS2-scwrl costs 101.210 real_cost = 262.764 3D-JIGSAW_POPULUS_TS1-scwrl costs 101.821 real_cost = 265.893 T0325.try9-opt2.repack-nonPC.pdb.gz costs 79.726 real_cost = 151.851 T0325.try9-opt2.pdb.gz costs 79.726 real_cost = 152.911 T0325.try9-opt2.gromacs0.pdb.gz costs 68.683 real_cost = 152.710 T0325.try9-opt1.pdb.gz costs 77.010 real_cost = 150.371 T0325.try9-opt1-scwrl.pdb.gz costs 77.010 real_cost = 153.535 T0325.try8-opt2.repack-nonPC.pdb.gz costs 93.592 real_cost = 207.490 T0325.try8-opt2.pdb.gz costs 93.592 real_cost = 207.188 T0325.try8-opt2.gromacs0.pdb.gz costs 78.722 real_cost = 212.732 T0325.try8-opt1.pdb.gz costs 83.294 real_cost = 205.157 T0325.try8-opt1-scwrl.pdb.gz costs 83.294 real_cost = 204.072 T0325.try7-opt2.repack-nonPC.pdb.gz costs 92.738 real_cost = 176.752 T0325.try7-opt2.pdb.gz costs 92.738 real_cost = 176.983 T0325.try7-opt2.gromacs0.pdb.gz costs 73.588 real_cost = 177.376 T0325.try7-opt1.pdb.gz costs 83.707 real_cost = 178.942 T0325.try7-opt1-scwrl.pdb.gz costs 83.707 real_cost = 176.026 T0325.try6-opt2.repack-nonPC.pdb.gz costs 76.631 real_cost = 141.730 T0325.try6-opt2.pdb.gz costs 76.631 real_cost = 140.901 T0325.try6-opt2.gromacs0.pdb.gz costs 64.920 real_cost = 147.286 T0325.try6-opt1.pdb.gz costs 70.679 real_cost = 138.503 T0325.try6-opt1-scwrl.pdb.gz costs 70.679 real_cost = 137.221 T0325.try5-opt2.repack-nonPC.pdb.gz costs 91.474 real_cost = 168.429 T0325.try5-opt2.pdb.gz costs 91.474 real_cost = 168.559 T0325.try5-opt2.gromacs0.pdb.gz costs 81.589 real_cost = 170.855 T0325.try5-opt1.pdb.gz costs 87.499 real_cost = 169.634 T0325.try5-opt1-scwrl.pdb.gz costs 87.499 real_cost = 167.345 T0325.try4-opt2.repack-nonPC.pdb.gz costs 82.085 real_cost = 192.775 T0325.try4-opt2.pdb.gz costs 82.085 real_cost = 186.617 T0325.try4-opt2.gromacs0.pdb.gz costs 70.910 real_cost = 185.921 T0325.try4-opt1.pdb.gz costs 71.384 real_cost = 185.643 T0325.try4-opt1-scwrl.pdb.gz costs 71.384 real_cost = 184.960 T0325.try3-opt2.repack-nonPC.pdb.gz costs 89.419 real_cost = 179.718 T0325.try3-opt2.pdb.gz costs 89.419 real_cost = 177.676 T0325.try3-opt2.gromacs0.pdb.gz costs 74.702 real_cost = 174.863 T0325.try3-opt1.pdb.gz costs 79.517 real_cost = 179.175 T0325.try3-opt1-scwrl.pdb.gz costs 79.517 real_cost = 180.793 T0325.try27-opt2.repack-nonPC.pdb.gz costs 91.663 real_cost = 164.635 T0325.try27-opt2.pdb.gz costs 91.663 real_cost = 164.823 T0325.try27-opt2.gromacs0.repack-nonPC.pdb.gz costs 71.612 real_cost = 163.885 T0325.try27-opt2.gromacs0.pdb.gz costs 71.612 real_cost = 166.120 T0325.try27-opt1.pdb.gz costs 91.070 real_cost = 163.572 T0325.try27-opt1-scwrl.pdb.gz costs 91.070 real_cost = 162.871 T0325.try26-opt2.repack-nonPC.pdb.gz costs 83.931 real_cost = 157.587 T0325.try26-opt2.pdb.gz costs 83.931 real_cost = 158.737 T0325.try26-opt2.gromacs0.repack-nonPC.pdb.gz costs 64.534 real_cost = 158.311 T0325.try26-opt2.gromacs0.pdb.gz costs 64.534 real_cost = 161.289 T0325.try26-opt1.pdb.gz costs 80.865 real_cost = 158.487 T0325.try26-opt1-scwrl.pdb.gz costs 80.865 real_cost = 157.627 T0325.try25-opt2.repack-nonPC.pdb.gz costs 91.458 real_cost = 162.967 T0325.try25-opt2.pdb.gz costs 91.458 real_cost = 163.628 T0325.try25-opt2.gromacs0.repack-nonPC.pdb.gz costs 71.938 real_cost = 165.017 T0325.try25-opt2.gromacs0.pdb.gz costs 71.938 real_cost = 166.189 T0325.try25-opt1.pdb.gz costs 86.075 real_cost = 163.315 T0325.try25-opt1-scwrl.pdb.gz costs 86.075 real_cost = 161.614 T0325.try24-opt2.repack-nonPC.pdb.gz costs 83.590 real_cost = 155.137 T0325.try24-opt2.pdb.gz costs 83.590 real_cost = 157.136 T0325.try24-opt2.gromacs0.repack-nonPC.pdb.gz costs 66.954 real_cost = 153.167 T0325.try24-opt2.gromacs0.pdb.gz costs 66.954 real_cost = 157.715 T0325.try24-opt1.pdb.gz costs 78.767 real_cost = 156.370 T0325.try24-opt1-scwrl.pdb.gz costs 78.767 real_cost = 156.732 T0325.try23-opt2.repack-nonPC.pdb.gz costs 78.835 real_cost = 152.502 T0325.try23-opt2.pdb.gz costs 78.835 real_cost = 151.479 T0325.try23-opt2.gromacs0.repack-nonPC.pdb.gz costs 66.406 real_cost = 149.154 T0325.try23-opt2.gromacs0.pdb.gz costs 66.406 real_cost = 155.127 T0325.try23-opt1.pdb.gz costs 81.077 real_cost = 152.485 T0325.try22-opt2.repack-nonPC.pdb.gz costs 76.409 real_cost = 146.811 T0325.try22-opt2.pdb.gz costs 76.409 real_cost = 148.938 T0325.try22-opt2.gromacs0.repack-nonPC.pdb.gz costs 64.478 real_cost = 148.182 T0325.try22-opt2.gromacs0.pdb.gz costs 64.478 real_cost = 150.137 T0325.try22-opt1.pdb.gz costs 79.284 real_cost = 153.198 T0325.try22-opt1-scwrl.pdb.gz costs 79.284 real_cost = 151.658 T0325.try21-opt2.repack-nonPC.pdb.gz costs 81.476 real_cost = 156.797 T0325.try21-opt2.pdb.gz costs 81.476 real_cost = 153.465 T0325.try21-opt2.gromacs0.repack-nonPC.pdb.gz costs 68.044 real_cost = 155.431 T0325.try21-opt2.gromacs0.pdb.gz costs 68.044 real_cost = 155.484 T0325.try21-opt1.pdb.gz costs 80.917 real_cost = 154.472 T0325.try21-opt1-scwrl.pdb.gz costs 80.917 real_cost = 154.554 T0325.try20-opt2.repack-nonPC.pdb.gz costs 93.893 real_cost = 196.443 T0325.try20-opt2.pdb.gz costs 93.893 real_cost = 195.035 T0325.try20-opt2.gromacs0.repack-nonPC.pdb.gz costs 85.454 real_cost = 195.563 T0325.try20-opt2.gromacs0.pdb.gz costs 85.454 real_cost = 196.876 T0325.try20-opt1.pdb.gz costs 93.179 real_cost = 196.418 T0325.try20-opt1-scwrl.pdb.gz costs 93.179 real_cost = 198.021 T0325.try2-opt2.repack-nonPC.pdb.gz costs 81.660 real_cost = 170.067 T0325.try2-opt2.pdb.gz costs 81.660 real_cost = 172.018 T0325.try2-opt2.gromacs0.pdb.gz costs 71.302 real_cost = 171.545 T0325.try2-opt1.pdb.gz costs 78.510 real_cost = 173.432 T0325.try2-opt1-scwrl.pdb.gz costs 78.510 real_cost = 174.801 T0325.try19-opt2.repack-nonPC.pdb.gz costs 86.508 real_cost = 158.789 T0325.try19-opt2.pdb.gz costs 86.508 real_cost = 160.525 T0325.try19-opt2.gromacs0.repack-nonPC.pdb.gz costs 74.086 real_cost = 156.295 T0325.try19-opt2.gromacs0.pdb.gz costs 74.086 real_cost = 157.200 T0325.try19-opt1.pdb.gz costs 86.028 real_cost = 157.931 T0325.try19-opt1-scwrl.pdb.gz costs 86.028 real_cost = 158.029 T0325.try18-opt2.repack-nonPC.pdb.gz costs 85.679 real_cost = 161.198 T0325.try18-opt2.pdb.gz costs 85.679 real_cost = 161.952 T0325.try18-opt2.gromacs0.repack-nonPC.pdb.gz costs 68.840 real_cost = 165.112 T0325.try18-opt2.gromacs0.pdb.gz costs 68.840 real_cost = 165.458 T0325.try18-opt1.pdb.gz costs 77.663 real_cost = 166.461 T0325.try18-opt1-scwrl.pdb.gz costs 77.663 real_cost = 162.754 T0325.try17-opt2.repack-nonPC.pdb.gz costs 83.233 real_cost = 154.996 T0325.try17-opt2.pdb.gz costs 83.233 real_cost = 153.389 T0325.try17-opt2.gromacs0.repack-nonPC.pdb.gz costs 70.978 real_cost = 153.834 T0325.try17-opt2.gromacs0.pdb.gz costs 70.978 real_cost = 153.102 T0325.try17-opt1.pdb.gz costs 82.180 real_cost = 152.510 T0325.try17-opt1-scwrl.pdb.gz costs 82.180 real_cost = 153.423 T0325.try16-opt2.repack-nonPC.pdb.original.gz costs 82.673 real_cost = 152.446 T0325.try16-opt2.repack-nonPC.pdb.gz costs 82.673 real_cost = 152.446 T0325.try16-opt2.pdb.original.gz costs 82.673 real_cost = 152.693 T0325.try16-opt2.pdb.gz costs 82.673 real_cost = 152.693 T0325.try16-opt2.gromacs0.repack-nonPC.pdb.original.gz costs 68.762 real_cost = 153.864 T0325.try16-opt2.gromacs0.repack-nonPC.pdb.gz costs 68.762 real_cost = 153.864 T0325.try16-opt2.gromacs0.pdb.original.gz costs 68.762 real_cost = 156.027 T0325.try16-opt2.gromacs0.pdb.gz costs 68.762 real_cost = 156.027 T0325.try16-opt1.pdb.original.gz costs 78.908 real_cost = 151.240 T0325.try16-opt1.pdb.gz costs 78.908 real_cost = 151.240 T0325.try16-opt1-scwrl.pdb.original.gz costs 78.908 real_cost = 152.009 T0325.try16-opt1-scwrl.pdb.gz costs 81.077 real_cost = 151.905 T0325.try15-opt2.repack-nonPC.pdb.gz costs 85.305 real_cost = 148.370 T0325.try15-opt2.pdb.gz costs 85.305 real_cost = 148.344 T0325.try15-opt2.gromacs0.repack-nonPC.pdb.gz costs 69.313 real_cost = 146.726 T0325.try15-opt2.gromacs0.pdb.gz costs 69.313 real_cost = 149.022 T0325.try15-opt1.pdb.gz costs 80.990 real_cost = 148.635 T0325.try15-opt1-scwrl.pdb.gz costs 80.990 real_cost = 146.715 T0325.try14-opt2.repack-nonPC.pdb.gz costs 82.306 real_cost = 163.068 T0325.try14-opt2.pdb.gz costs 82.306 real_cost = 163.911 T0325.try14-opt2.gromacs0.repack-nonPC.pdb.gz costs 66.403 real_cost = 164.301 T0325.try14-opt2.gromacs0.pdb.gz costs 66.403 real_cost = 167.944 T0325.try14-opt1.pdb.gz costs 75.509 real_cost = 162.294 T0325.try14-opt1-scwrl.pdb.gz costs 75.509 real_cost = 160.835 T0325.try13-opt2.repack-nonPC.pdb.gz costs 79.411 real_cost = 152.483 T0325.try13-opt2.pdb.gz costs 79.411 real_cost = 151.243 T0325.try13-opt2.gromacs0.repack-nonPC.pdb.gz costs 68.089 real_cost = 147.296 T0325.try13-opt2.gromacs0.pdb.gz costs 68.089 real_cost = 148.501 T0325.try13-opt1.pdb.gz costs 79.459 real_cost = 152.205 T0325.try13-opt1-scwrl.pdb.gz costs 79.459 real_cost = 153.343 T0325.try12-opt2.repack-nonPC.pdb.gz costs 87.652 real_cost = 146.998 T0325.try12-opt2.pdb.gz costs 87.652 real_cost = 146.972 T0325.try12-opt2.gromacs0.pdb.gz costs 71.591 real_cost = 151.206 T0325.try12-opt1.pdb.gz costs 80.854 real_cost = 148.825 T0325.try12-opt1-scwrl.pdb.gz costs 80.854 real_cost = 150.369 T0325.try11-opt2.repack-nonPC.pdb.gz costs 89.568 real_cost = 219.721 T0325.try11-opt2.pdb.gz costs 89.568 real_cost = 219.093 T0325.try11-opt2.gromacs0.pdb.gz costs 72.672 real_cost = 215.410 T0325.try11-opt1.pdb.gz costs 83.163 real_cost = 217.544 T0325.try11-opt1-scwrl.pdb.gz costs 83.163 real_cost = 218.438 T0325.try10-opt2.repack-nonPC.pdb.gz costs 81.617 real_cost = 168.972 T0325.try10-opt2.pdb.gz costs 81.617 real_cost = 170.572 T0325.try10-opt1.pdb.gz costs 76.460 real_cost = 172.527 T0325.try10-opt1-scwrl.pdb.gz costs 76.460 real_cost = 172.527 T0325.try1-opt2.repack-nonPC.pdb.gz costs 79.302 real_cost = 164.695 T0325.try1-opt2.pdb.gz costs 79.302 real_cost = 164.735 T0325.try1-opt2.gromacs0.pdb.gz costs 72.093 real_cost = 163.513 T0325.try1-opt1.pdb.gz costs 74.830 real_cost = 163.692 T0325.try1-opt1-scwrl.pdb.gz costs 74.830 real_cost = 166.003 ../model5.ts-submitted costs 87.652 real_cost = 146.967 ../model4.ts-submitted costs 85.305 real_cost = 148.283 ../model3.ts-submitted costs 79.349 real_cost = 151.369 ../model2.ts-submitted costs 75.895 real_cost = 148.958 ../model1.ts-submitted costs 67.110 real_cost = 153.182 align5 costs 92.925 real_cost = 277.526 align4 costs 86.954 real_cost = 341.352 align3 costs 91.010 real_cost = 284.017 align2 costs 87.039 real_cost = 286.744 align1 costs 88.324 real_cost = 205.440 T0325.try1-opt2.pdb costs 79.302 real_cost = 164.736 model5-scwrl costs 87.652 real_cost = 146.967 model4-scwrl costs 85.305 real_cost = 148.283 model3-scwrl costs 79.349 real_cost = 151.369 model2-scwrl costs 75.895 real_cost = 148.958 model1-scwrl costs 67.110 real_cost = 153.182 2i5iA costs 41.469 real_cost = -883.200 # command:CPU_time= 1641.431 sec, elapsed time= 1662.327 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/T0325'