make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0380' /projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0380.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/T0380.} ;\ 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/T0380/ -e s/START_COL/1/ \ -e s/COSTFCN/anglevector/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2hq7A/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1183371575 # 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= 9.257 sec, elapsed time= 9.372 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= 9.381 sec, elapsed time= 9.521 sec. # command:# Prefix for input files set to # command:# Making conformation for sequence T0380 numbered 1 through 145 Created new target T0380 from T0380.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2hq7A expands to /projects/compbio/data/pdb/2hq7.pdb.gz 2hq7A: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 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 967, because occupancy 0.5 <= existing 0.500 in 2hq7A Skipped atom 971, because occupancy 0.500 <= existing 0.500 in 2hq7A Skipped atom 973, because occupancy 0.500 <= existing 0.500 in 2hq7A Skipped atom 975, because occupancy 0.500 <= existing 0.500 in 2hq7A Skipped atom 977, because occupancy 0.500 <= existing 0.500 in 2hq7A Skipped atom 979, because occupancy 0.500 <= existing 0.500 in 2hq7A Skipped atom 981, because occupancy 0.500 <= existing 0.500 in 2hq7A Skipped atom 983, because occupancy 0.500 <= existing 0.500 in 2hq7A Skipped atom 985, because occupancy 0.500 <= existing 0.500 in 2hq7A Skipped atom 987, because occupancy 0.500 <= existing 0.500 in 2hq7A Skipped atom 989, because occupancy 0.500 <= existing 0.500 in 2hq7A Read 141 residues and 1128 atoms. # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # command:# Saving current conformation as real # command:# Prefix for output files set to decoys/ # command:# SetRealCost created real_cost = # ( 50.000 * real_hbond + 50.000 * real_hbond_u + 50.000 * decoy_hbond + 50.000 * decoy_hbond_u + 10.000 * real_NO_hbond + 10.000 * real_NO_hbond_u + 10.000 * decoy_NO_hbond + 10.000 * decoy_NO_hbond_u + 10.000 * knot + 200.000 * clens + 0.000 * rmsd + 35.000 * log_rmsd + 0.000 * rmsd_ca + 30.000 * log_rmsd_ca + 1.000 * GDT + 1.000 * smooth_GDT + 0.200 * missing_atoms ) # command:# SetCost created cost = # ) # command:# reading script from file anglevector.costfcn # Prefix for input files set to /projects/compbio/lib/alphabet/ # Read 2 alphabets from anglevector.alphabet # Prefix for input files set to # CreateCombinedNNet created CombinedNNet bys_t2k # CreateCombinedNNet created CombinedNNet bys_t04 # CreateCombinedNNet created CombinedNNet bys_t06 # CreateCombinedNNet created CombinedNNet bys_mean # created predicted AngleVectorPredCostFcn pred_bys_t2k # created predicted AngleVectorPredCostFcn pred_bys_t04 # created predicted AngleVectorPredCostFcn pred_bys_t06 # created predicted AngleVectorPredCostFcn pred_bys_mean # CreateCombinedNNet created CombinedNNet pb_t2k # CreateCombinedNNet created CombinedNNet pb_t04 # CreateCombinedNNet created CombinedNNet pb_t06 # CreateCombinedNNet created CombinedNNet pb_mean # created predicted AngleVectorPredCostFcn pred_pb_t2k # created predicted AngleVectorPredCostFcn pred_pb_t04 # created predicted AngleVectorPredCostFcn pred_pb_t06 # created predicted AngleVectorPredCostFcn pred_pb_mean # SetCost created cost = # ( 5.000 * bystroff + 5.000 * pred_bys_t2k + 5.000 * pred_bys_t04 + 5.000 * pred_bys_t06 + 5.000 * pred_bys_mean + 5.000 * pred_pb_t2k + 5.000 * pred_pb_t04 + 5.000 * pred_pb_t06 + 5.000 * pred_pb_mean ) # command:CPU_time= 13.498 sec, elapsed time= 14.050 sec. # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file model1.ts-submitted looking for model 1 # choosing archetypes in rotamer library # Found a chain break before 136 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -75.177 # GDT_score(maxd=8.000,maxw=2.900)= -78.269 # GDT_score(maxd=8.000,maxw=3.200)= -74.886 # GDT_score(maxd=8.000,maxw=3.500)= -71.501 # GDT_score(maxd=10.000,maxw=3.800)= -74.125 # GDT_score(maxd=10.000,maxw=4.000)= -71.868 # GDT_score(maxd=10.000,maxw=4.200)= -69.601 # GDT_score(maxd=12.000,maxw=4.300)= -73.191 # GDT_score(maxd=12.000,maxw=4.500)= -70.993 # GDT_score(maxd=12.000,maxw=4.700)= -68.840 # GDT_score(maxd=14.000,maxw=5.200)= -67.374 # GDT_score(maxd=14.000,maxw=5.500)= -64.361 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0380.model1-real.pdb for output Error: Couldn't open file T0380.model1-real.pdb for output superimposing iter= 0 total_weight= 1692.000 rmsd (weighted)= 3.100 (unweighted)= 12.097 superimposing iter= 1 total_weight= 4093.242 rmsd (weighted)= 1.498 (unweighted)= 12.224 superimposing iter= 2 total_weight= 1954.240 rmsd (weighted)= 1.106 (unweighted)= 12.283 superimposing iter= 3 total_weight= 1415.334 rmsd (weighted)= 0.975 (unweighted)= 12.312 superimposing iter= 4 total_weight= 1224.124 rmsd (weighted)= 0.930 (unweighted)= 12.327 superimposing iter= 5 total_weight= 1161.862 rmsd (weighted)= 0.911 (unweighted)= 12.334 EXPDTA model1.ts-submitted MODEL 1 REMARK 44 REMARK 44 model 1 is called model1.ts-submitted ATOM 1 N MET A 1 -2.754 3.517 48.793 1.00 0.00 ATOM 2 CA MET A 1 -2.330 4.391 47.664 1.00 0.00 ATOM 3 CB MET A 1 -1.512 5.544 48.200 1.00 0.00 ATOM 4 CG MET A 1 -0.173 5.144 48.784 1.00 0.00 ATOM 5 SD MET A 1 0.968 6.562 48.778 1.00 0.00 ATOM 6 CE MET A 1 0.589 7.233 47.043 1.00 0.00 ATOM 7 O MET A 1 -0.804 2.631 47.141 1.00 0.00 ATOM 8 C MET A 1 -1.370 3.648 46.753 1.00 0.00 ATOM 9 N ILE A 2 -1.161 4.190 45.557 1.00 0.00 ATOM 10 CA ILE A 2 -0.233 3.596 44.601 1.00 0.00 ATOM 11 CB ILE A 2 -0.700 3.848 43.149 1.00 0.00 ATOM 12 CG1 ILE A 2 -2.124 3.316 42.959 1.00 0.00 ATOM 13 CG2 ILE A 2 0.258 3.172 42.170 1.00 0.00 ATOM 14 CD1 ILE A 2 -2.682 3.516 41.560 1.00 0.00 ATOM 15 O ILE A 2 1.340 5.411 44.557 1.00 0.00 ATOM 16 C ILE A 2 1.114 4.248 44.887 1.00 0.00 ATOM 17 N ASP A 3 2.004 3.479 45.497 1.00 0.00 ATOM 18 CA ASP A 3 3.314 3.986 45.904 1.00 0.00 ATOM 19 CB ASP A 3 3.776 3.392 47.195 1.00 0.00 ATOM 20 CG ASP A 3 3.739 1.887 47.248 1.00 0.00 ATOM 21 OD1 ASP A 3 2.992 1.239 46.493 1.00 0.00 ATOM 22 OD2 ASP A 3 4.474 1.347 48.097 1.00 0.00 ATOM 23 O ASP A 3 5.427 4.241 44.755 1.00 0.00 ATOM 24 C ASP A 3 4.342 3.658 44.811 1.00 0.00 ATOM 25 N GLU A 4 3.970 2.748 43.915 1.00 0.00 ATOM 26 CA GLU A 4 4.828 2.310 42.813 1.00 0.00 ATOM 27 CB GLU A 4 4.407 0.903 42.329 1.00 0.00 ATOM 28 CG GLU A 4 4.364 -0.157 43.413 1.00 0.00 ATOM 29 CD GLU A 4 5.660 -0.281 44.174 1.00 0.00 ATOM 30 OE1 GLU A 4 6.680 -0.606 43.539 1.00 0.00 ATOM 31 OE2 GLU A 4 5.658 -0.018 45.399 1.00 0.00 ATOM 32 O GLU A 4 3.973 3.842 41.194 1.00 0.00 ATOM 33 C GLU A 4 4.963 3.299 41.669 1.00 0.00 ATOM 34 N LYS A 5 6.289 3.427 41.251 1.00 0.00 ATOM 35 CA LYS A 5 6.593 4.283 40.109 1.00 0.00 ATOM 36 CB LYS A 5 8.094 4.122 39.813 1.00 0.00 ATOM 37 CG LYS A 5 8.951 4.713 40.891 1.00 0.00 ATOM 38 CD LYS A 5 10.392 4.345 40.694 1.00 0.00 ATOM 39 CE LYS A 5 11.260 5.353 41.380 1.00 0.00 ATOM 40 NZ LYS A 5 12.672 4.954 41.239 1.00 0.00 ATOM 41 O LYS A 5 5.278 4.868 38.201 1.00 0.00 ATOM 42 C LYS A 5 5.785 3.966 38.861 1.00 0.00 ATOM 43 N PHE A 6 5.662 2.691 38.531 1.00 0.00 ATOM 44 CA PHE A 6 4.894 2.305 37.340 1.00 0.00 ATOM 45 CB PHE A 6 5.170 0.886 36.904 1.00 0.00 ATOM 46 CG PHE A 6 6.432 0.726 36.112 1.00 0.00 ATOM 47 CD1 PHE A 6 6.487 1.138 34.799 1.00 0.00 ATOM 48 CD2 PHE A 6 7.588 0.148 36.639 1.00 0.00 ATOM 49 CE1 PHE A 6 7.608 1.026 34.028 1.00 0.00 ATOM 50 CE2 PHE A 6 8.708 0.033 35.861 1.00 0.00 ATOM 51 CZ PHE A 6 8.757 0.457 34.584 1.00 0.00 ATOM 52 O PHE A 6 2.718 2.990 36.592 1.00 0.00 ATOM 53 C PHE A 6 3.394 2.555 37.520 1.00 0.00 ATOM 54 N LEU A 7 2.885 2.292 38.717 1.00 0.00 ATOM 55 CA LEU A 7 1.463 2.509 38.991 1.00 0.00 ATOM 56 CB LEU A 7 1.036 2.031 40.326 1.00 0.00 ATOM 57 CG LEU A 7 0.988 0.506 40.499 1.00 0.00 ATOM 58 CD1 LEU A 7 0.774 0.181 41.965 1.00 0.00 ATOM 59 CD2 LEU A 7 -0.127 -0.088 39.649 1.00 0.00 ATOM 60 O LEU A 7 0.161 4.430 38.296 1.00 0.00 ATOM 61 C LEU A 7 1.173 4.010 38.866 1.00 0.00 ATOM 62 N ILE A 8 2.076 4.814 39.403 1.00 0.00 ATOM 63 CA ILE A 8 1.937 6.268 39.351 1.00 0.00 ATOM 64 CB ILE A 8 2.991 6.931 40.272 1.00 0.00 ATOM 65 CG1 ILE A 8 2.789 6.452 41.715 1.00 0.00 ATOM 66 CG2 ILE A 8 2.879 8.457 40.183 1.00 0.00 ATOM 67 CD1 ILE A 8 3.811 6.990 42.693 1.00 0.00 ATOM 68 O ILE A 8 1.329 7.695 37.526 1.00 0.00 ATOM 69 C ILE A 8 2.067 6.800 37.938 1.00 0.00 ATOM 70 N GLU A 9 3.008 6.258 37.153 1.00 0.00 ATOM 71 CA GLU A 9 3.199 6.690 35.778 1.00 0.00 ATOM 72 CB GLU A 9 4.502 6.047 35.231 1.00 0.00 ATOM 73 CG GLU A 9 5.761 6.453 35.982 1.00 0.00 ATOM 74 CD GLU A 9 6.988 5.676 35.541 1.00 0.00 ATOM 75 OE1 GLU A 9 6.961 4.429 35.627 1.00 0.00 ATOM 76 OE2 GLU A 9 7.980 6.311 35.119 1.00 0.00 ATOM 77 O GLU A 9 1.554 7.123 34.087 1.00 0.00 ATOM 78 C GLU A 9 1.936 6.374 34.986 1.00 0.00 ATOM 79 N SER A 10 1.265 5.257 35.334 1.00 0.00 ATOM 80 CA SER A 10 0.024 4.901 34.657 1.00 0.00 ATOM 81 CB SER A 10 -0.387 3.513 34.913 1.00 0.00 ATOM 82 OG SER A 10 -0.591 3.254 36.287 1.00 0.00 ATOM 83 O SER A 10 -1.872 6.296 34.126 1.00 0.00 ATOM 84 C SER A 10 -1.096 5.890 34.994 1.00 0.00 ATOM 85 N ASN A 11 -1.145 6.309 36.260 1.00 0.00 ATOM 86 CA ASN A 11 -2.114 7.334 36.677 1.00 0.00 ATOM 87 CB ASN A 11 -2.030 7.566 38.187 1.00 0.00 ATOM 88 CG ASN A 11 -2.654 6.439 38.984 1.00 0.00 ATOM 89 ND2 ASN A 11 -2.281 6.336 40.255 1.00 0.00 ATOM 90 OD1 ASN A 11 -3.461 5.667 38.462 1.00 0.00 ATOM 91 O ASN A 11 -2.804 9.366 35.564 1.00 0.00 ATOM 92 C ASN A 11 -1.857 8.689 35.989 1.00 0.00 ATOM 93 N GLU A 12 -0.603 9.108 35.858 1.00 0.00 ATOM 94 CA GLU A 12 -0.277 10.330 35.133 1.00 0.00 ATOM 95 CB GLU A 12 1.232 10.557 35.052 1.00 0.00 ATOM 96 CG GLU A 12 1.672 11.695 34.130 1.00 0.00 ATOM 97 CD GLU A 12 3.170 11.705 33.775 1.00 0.00 ATOM 98 OE1 GLU A 12 3.783 10.633 33.489 1.00 0.00 ATOM 99 OE2 GLU A 12 3.735 12.829 33.741 1.00 0.00 ATOM 100 O GLU A 12 -1.443 11.277 33.252 1.00 0.00 ATOM 101 C GLU A 12 -0.817 10.315 33.699 1.00 0.00 ATOM 102 N LEU A 13 -0.588 9.207 32.993 1.00 0.00 ATOM 103 CA LEU A 13 -1.090 9.060 31.628 1.00 0.00 ATOM 104 CB LEU A 13 -0.738 7.663 31.113 1.00 0.00 ATOM 105 CG LEU A 13 0.743 7.396 30.841 1.00 0.00 ATOM 106 CD1 LEU A 13 0.974 5.928 30.519 1.00 0.00 ATOM 107 CD2 LEU A 13 1.230 8.221 29.657 1.00 0.00 ATOM 108 O LEU A 13 -3.171 9.874 30.753 1.00 0.00 ATOM 109 C LEU A 13 -2.604 9.199 31.599 1.00 0.00 ATOM 110 N VAL A 14 -3.259 8.523 32.515 1.00 0.00 ATOM 111 CA VAL A 14 -4.711 8.566 32.577 1.00 0.00 ATOM 112 CB VAL A 14 -5.229 7.723 33.799 1.00 0.00 ATOM 113 CG1 VAL A 14 -6.674 8.083 34.118 1.00 0.00 ATOM 114 CG2 VAL A 14 -5.124 6.238 33.496 1.00 0.00 ATOM 115 O VAL A 14 -6.256 10.390 32.162 1.00 0.00 ATOM 116 C VAL A 14 -5.244 9.990 32.792 1.00 0.00 ATOM 117 N GLU A 15 -4.537 10.773 33.639 1.00 0.00 ATOM 118 CA GLU A 15 -4.917 12.163 33.926 1.00 0.00 ATOM 119 CB GLU A 15 -3.924 12.809 34.894 1.00 0.00 ATOM 120 CG GLU A 15 -4.023 12.289 36.320 1.00 0.00 ATOM 121 CD GLU A 15 -2.941 12.850 37.221 1.00 0.00 ATOM 122 OE1 GLU A 15 -2.071 13.593 36.716 1.00 0.00 ATOM 123 OE2 GLU A 15 -2.959 12.550 38.432 1.00 0.00 ATOM 124 O GLU A 15 -5.660 13.974 32.535 1.00 0.00 ATOM 125 C GLU A 15 -4.936 12.981 32.634 1.00 0.00 ATOM 126 N SER A 16 -4.120 12.548 31.634 1.00 0.00 ATOM 127 CA SER A 16 -4.030 13.244 30.352 1.00 0.00 ATOM 128 CB SER A 16 -2.670 12.985 29.700 1.00 0.00 ATOM 129 OG SER A 16 -1.618 13.526 30.481 1.00 0.00 ATOM 130 O SER A 16 -5.276 13.403 28.318 1.00 0.00 ATOM 131 C SER A 16 -5.083 12.770 29.360 1.00 0.00 ATOM 132 N SER A 17 -5.741 11.648 29.660 1.00 0.00 ATOM 133 CA SER A 17 -6.738 11.074 28.756 1.00 0.00 ATOM 134 CB SER A 17 -6.643 9.548 28.745 1.00 0.00 ATOM 135 OG SER A 17 -5.402 9.118 28.209 1.00 0.00 ATOM 136 O SER A 17 -8.481 11.360 30.381 1.00 0.00 ATOM 137 C SER A 17 -8.141 11.470 29.197 1.00 0.00 ATOM 138 N LYS A 18 -8.956 11.942 28.261 1.00 0.00 ATOM 139 CA LYS A 18 -10.365 12.189 28.572 1.00 0.00 ATOM 140 CB LYS A 18 -10.826 13.518 27.974 1.00 0.00 ATOM 141 CG LYS A 18 -10.141 14.737 28.568 1.00 0.00 ATOM 142 CD LYS A 18 -10.631 16.020 27.916 1.00 0.00 ATOM 143 CE LYS A 18 -9.953 17.240 28.516 1.00 0.00 ATOM 144 NZ LYS A 18 -10.478 18.507 27.942 1.00 0.00 ATOM 145 O LYS A 18 -12.425 10.965 28.342 1.00 0.00 ATOM 146 C LYS A 18 -11.238 11.061 28.023 1.00 0.00 ATOM 147 N ILE A 19 -10.624 10.196 27.212 1.00 0.00 ATOM 148 CA ILE A 19 -11.303 9.075 26.582 1.00 0.00 ATOM 149 CB ILE A 19 -11.301 9.254 25.061 1.00 0.00 ATOM 150 CG1 ILE A 19 -12.051 10.539 24.714 1.00 0.00 ATOM 151 CG2 ILE A 19 -11.979 8.060 24.409 1.00 0.00 ATOM 152 CD1 ILE A 19 -13.485 10.559 25.181 1.00 0.00 ATOM 153 O ILE A 19 -9.344 7.710 26.837 1.00 0.00 ATOM 154 C ILE A 19 -10.579 7.765 26.845 1.00 0.00 ATOM 155 N VAL A 20 -11.330 6.685 27.092 1.00 0.00 ATOM 156 CA VAL A 20 -10.758 5.373 27.362 1.00 0.00 ATOM 157 CB VAL A 20 -10.890 4.939 28.835 1.00 0.00 ATOM 158 CG1 VAL A 20 -10.119 5.887 29.740 1.00 0.00 ATOM 159 CG2 VAL A 20 -12.350 4.947 29.264 1.00 0.00 ATOM 160 O VAL A 20 -12.502 4.849 25.840 1.00 0.00 ATOM 161 C VAL A 20 -11.521 4.438 26.437 1.00 0.00 ATOM 162 N MET A 21 -11.063 3.199 26.299 1.00 0.00 ATOM 163 CA MET A 21 -11.844 2.186 25.586 1.00 0.00 ATOM 164 CB MET A 21 -11.072 1.663 24.348 1.00 0.00 ATOM 165 CG MET A 21 -10.311 2.630 23.468 1.00 0.00 ATOM 166 SD MET A 21 -11.332 3.696 22.426 1.00 0.00 ATOM 167 CE MET A 21 -11.821 2.578 21.116 1.00 0.00 ATOM 168 O MET A 21 -11.370 0.539 27.293 1.00 0.00 ATOM 169 C MET A 21 -12.233 1.101 26.587 1.00 0.00 ATOM 170 N VAL A 22 -13.506 0.770 26.661 1.00 0.00 ATOM 171 CA VAL A 22 -14.079 -0.109 27.652 1.00 0.00 ATOM 172 CB VAL A 22 -15.213 0.546 28.460 1.00 0.00 ATOM 173 CG1 VAL A 22 -15.801 -0.442 29.454 1.00 0.00 ATOM 174 CG2 VAL A 22 -14.692 1.750 29.231 1.00 0.00 ATOM 175 O VAL A 22 -15.338 -1.131 25.962 1.00 0.00 ATOM 176 C VAL A 22 -14.656 -1.394 26.944 1.00 0.00 ATOM 177 N GLY A 23 -14.307 -2.532 27.446 1.00 0.00 ATOM 178 CA GLY A 23 -14.819 -3.742 26.840 1.00 0.00 ATOM 179 O GLY A 23 -15.218 -4.671 29.025 1.00 0.00 ATOM 180 C GLY A 23 -15.597 -4.536 27.873 1.00 0.00 ATOM 181 N THR A 24 -16.689 -5.088 27.378 1.00 0.00 ATOM 182 CA THR A 24 -17.600 -5.965 28.088 1.00 0.00 ATOM 183 CB THR A 24 -19.025 -5.420 27.977 1.00 0.00 ATOM 184 CG2 THR A 24 -19.266 -4.293 28.932 1.00 0.00 ATOM 185 OG1 THR A 24 -19.298 -4.947 26.669 1.00 0.00 ATOM 186 O THR A 24 -17.010 -7.277 26.186 1.00 0.00 ATOM 187 C THR A 24 -17.529 -7.260 27.295 1.00 0.00 ATOM 188 N ASN A 25 -18.055 -8.332 27.872 1.00 0.00 ATOM 189 CA ASN A 25 -18.310 -9.558 27.151 1.00 0.00 ATOM 190 CB ASN A 25 -17.707 -10.743 27.910 1.00 0.00 ATOM 191 CG ASN A 25 -16.200 -10.643 28.049 1.00 0.00 ATOM 192 ND2 ASN A 25 -15.728 -10.523 29.283 1.00 0.00 ATOM 193 OD1 ASN A 25 -15.473 -10.674 27.055 1.00 0.00 ATOM 194 O ASN A 25 -20.552 -9.633 28.042 1.00 0.00 ATOM 195 C ASN A 25 -19.833 -9.709 27.030 1.00 0.00 ATOM 196 N GLY A 26 -20.327 -9.895 25.809 1.00 0.00 ATOM 197 CA GLY A 26 -21.768 -10.070 25.648 1.00 0.00 ATOM 198 O GLY A 26 -21.362 -12.367 26.285 1.00 0.00 ATOM 199 C GLY A 26 -22.200 -11.504 25.989 1.00 0.00 ATOM 200 N GLU A 27 -23.502 -11.753 25.974 1.00 0.00 ATOM 201 CA GLU A 27 -23.982 -13.063 26.381 1.00 0.00 ATOM 202 CB GLU A 27 -25.502 -13.118 26.437 1.00 0.00 ATOM 203 CG GLU A 27 -26.192 -12.479 25.262 1.00 0.00 ATOM 204 CD GLU A 27 -27.706 -12.454 25.428 1.00 0.00 ATOM 205 OE1 GLU A 27 -28.243 -13.260 26.226 1.00 0.00 ATOM 206 OE2 GLU A 27 -28.353 -11.625 24.761 1.00 0.00 ATOM 207 O GLU A 27 -23.387 -15.326 25.910 1.00 0.00 ATOM 208 C GLU A 27 -23.461 -14.183 25.482 1.00 0.00 ATOM 209 N ASN A 28 -23.094 -13.849 24.247 1.00 0.00 ATOM 210 CA ASN A 28 -22.554 -14.850 23.326 1.00 0.00 ATOM 211 CB ASN A 28 -22.847 -14.425 21.893 1.00 0.00 ATOM 212 CG ASN A 28 -24.315 -14.529 21.563 1.00 0.00 ATOM 213 ND2 ASN A 28 -24.997 -13.393 21.518 1.00 0.00 ATOM 214 OD1 ASN A 28 -24.836 -15.625 21.361 1.00 0.00 ATOM 215 O ASN A 28 -20.456 -15.884 22.703 1.00 0.00 ATOM 216 C ASN A 28 -21.042 -15.101 23.477 1.00 0.00 ATOM 217 N GLY A 29 -20.375 -14.424 24.430 1.00 0.00 ATOM 218 CA GLY A 29 -18.935 -14.600 24.601 1.00 0.00 ATOM 219 O GLY A 29 -16.818 -13.856 23.777 1.00 0.00 ATOM 220 C GLY A 29 -18.032 -13.680 23.784 1.00 0.00 ATOM 221 N TYR A 30 -18.621 -12.699 23.101 1.00 0.00 ATOM 222 CA TYR A 30 -17.859 -11.737 22.272 1.00 0.00 ATOM 223 CB TYR A 30 -18.703 -11.243 21.097 1.00 0.00 ATOM 224 CG TYR A 30 -18.933 -12.288 20.027 1.00 0.00 ATOM 225 CD1 TYR A 30 -20.078 -13.075 20.037 1.00 0.00 ATOM 226 CD2 TYR A 30 -18.005 -12.481 19.012 1.00 0.00 ATOM 227 CE1 TYR A 30 -20.297 -14.029 19.063 1.00 0.00 ATOM 228 CE2 TYR A 30 -18.207 -13.433 18.032 1.00 0.00 ATOM 229 CZ TYR A 30 -19.366 -14.209 18.063 1.00 0.00 ATOM 230 OH TYR A 30 -19.580 -15.162 17.093 1.00 0.00 ATOM 231 O TYR A 30 -18.332 -9.851 23.628 1.00 0.00 ATOM 232 C TYR A 30 -17.473 -10.512 23.058 1.00 0.00 ATOM 233 N PRO A 31 -16.163 -10.178 23.072 1.00 0.00 ATOM 234 CA PRO A 31 -15.768 -8.933 23.730 1.00 0.00 ATOM 235 CB PRO A 31 -14.252 -8.999 23.717 1.00 0.00 ATOM 236 CG PRO A 31 -13.931 -9.876 22.545 1.00 0.00 ATOM 237 CD PRO A 31 -14.971 -10.960 22.653 1.00 0.00 ATOM 238 O PRO A 31 -16.329 -7.892 21.636 1.00 0.00 ATOM 239 C PRO A 31 -16.275 -7.783 22.863 1.00 0.00 ATOM 240 N ASN A 32 -16.746 -6.701 23.510 1.00 0.00 ATOM 241 CA ASN A 32 -17.147 -5.471 22.844 1.00 0.00 ATOM 242 CB ASN A 32 -18.697 -5.424 22.723 1.00 0.00 ATOM 243 CG ASN A 32 -19.284 -6.590 21.955 1.00 0.00 ATOM 244 ND2 ASN A 32 -20.142 -7.361 22.614 1.00 0.00 ATOM 245 OD1 ASN A 32 -18.970 -6.797 20.783 1.00 0.00 ATOM 246 O ASN A 32 -16.292 -4.136 24.609 1.00 0.00 ATOM 247 C ASN A 32 -16.267 -4.368 23.404 1.00 0.00 ATOM 248 N ILE A 33 -15.473 -3.701 22.539 1.00 0.00 ATOM 249 CA ILE A 33 -14.632 -2.595 22.965 1.00 0.00 ATOM 250 CB ILE A 33 -13.217 -2.737 22.395 1.00 0.00 ATOM 251 CG1 ILE A 33 -12.623 -4.076 22.836 1.00 0.00 ATOM 252 CG2 ILE A 33 -12.373 -1.564 22.862 1.00 0.00 ATOM 253 CD1 ILE A 33 -12.584 -4.278 24.317 1.00 0.00 ATOM 254 O ILE A 33 -15.303 -1.155 21.178 1.00 0.00 ATOM 255 C ILE A 33 -15.184 -1.301 22.394 1.00 0.00 ATOM 256 N LYS A 34 -15.619 -0.350 23.256 1.00 0.00 ATOM 257 CA LYS A 34 -16.165 0.920 22.814 1.00 0.00 ATOM 258 CB LYS A 34 -17.643 0.944 23.206 1.00 0.00 ATOM 259 CG LYS A 34 -18.498 -0.076 22.472 1.00 0.00 ATOM 260 CD LYS A 34 -19.965 0.064 22.840 1.00 0.00 ATOM 261 CE LYS A 34 -20.820 -0.955 22.105 1.00 0.00 ATOM 262 NZ LYS A 34 -22.258 -0.848 22.478 1.00 0.00 ATOM 263 O LYS A 34 -15.066 2.023 24.639 1.00 0.00 ATOM 264 C LYS A 34 -15.455 2.110 23.478 1.00 0.00 ATOM 265 N ALA A 35 -15.240 3.206 22.729 1.00 0.00 ATOM 266 CA ALA A 35 -14.692 4.410 23.345 1.00 0.00 ATOM 267 CB ALA A 35 -14.422 5.461 22.285 1.00 0.00 ATOM 268 O ALA A 35 -16.858 5.147 24.016 1.00 0.00 ATOM 269 C ALA A 35 -15.699 5.022 24.311 1.00 0.00 ATOM 270 N MET A 36 -15.190 5.543 25.393 1.00 0.00 ATOM 271 CA MET A 36 -16.010 6.225 26.400 1.00 0.00 ATOM 272 CB MET A 36 -16.179 5.165 27.491 1.00 0.00 ATOM 273 CG MET A 36 -16.924 3.921 27.039 1.00 0.00 ATOM 274 SD MET A 36 -18.669 4.236 26.709 1.00 0.00 ATOM 275 CE MET A 36 -19.294 4.448 28.373 1.00 0.00 ATOM 276 O MET A 36 -14.180 7.471 27.281 1.00 0.00 ATOM 277 C MET A 36 -15.384 7.447 27.033 1.00 0.00 ATOM 278 N MET A 37 -16.198 8.452 27.356 1.00 0.00 ATOM 279 CA MET A 37 -15.652 9.588 28.082 1.00 0.00 ATOM 280 CB MET A 37 -16.528 10.845 27.869 1.00 0.00 ATOM 281 CG MET A 37 -17.880 10.669 28.519 1.00 0.00 ATOM 282 SD MET A 37 -18.939 12.147 28.302 1.00 0.00 ATOM 283 CE MET A 37 -18.158 13.254 29.507 1.00 0.00 ATOM 284 O MET A 37 -16.205 8.520 30.131 1.00 0.00 ATOM 285 C MET A 37 -15.370 9.170 29.509 1.00 0.00 ATOM 286 N ARG A 38 -14.188 9.529 29.995 1.00 0.00 ATOM 287 CA ARG A 38 -13.768 9.286 31.362 1.00 0.00 ATOM 288 CB ARG A 38 -12.503 9.161 31.682 1.00 0.00 ATOM 289 CG ARG A 38 -11.310 9.789 30.979 1.00 0.00 ATOM 290 CD ARG A 38 -10.088 9.764 31.888 1.00 0.00 ATOM 291 NE ARG A 38 -10.374 10.449 33.148 1.00 0.00 ATOM 292 CZ ARG A 38 -10.637 11.746 33.253 1.00 0.00 ATOM 293 NH1 ARG A 38 -10.642 12.518 32.171 1.00 0.00 ATOM 294 NH2 ARG A 38 -10.919 12.277 34.436 1.00 0.00 ATOM 295 O ARG A 38 -14.003 11.564 32.078 1.00 0.00 ATOM 296 C ARG A 38 -14.377 10.389 32.222 1.00 0.00 ATOM 297 N LEU A 39 -15.318 10.042 33.101 1.00 0.00 ATOM 298 CA LEU A 39 -15.955 11.107 33.865 1.00 0.00 ATOM 299 CB LEU A 39 -17.373 10.700 34.254 1.00 0.00 ATOM 300 CG LEU A 39 -18.368 10.591 33.088 1.00 0.00 ATOM 301 CD1 LEU A 39 -19.611 9.813 33.552 1.00 0.00 ATOM 302 CD2 LEU A 39 -18.739 11.958 32.595 1.00 0.00 ATOM 303 O LEU A 39 -14.896 12.614 35.422 1.00 0.00 ATOM 304 C LEU A 39 -15.114 11.443 35.107 1.00 0.00 ATOM 305 N LYS A 40 -14.570 10.411 35.740 1.00 0.00 ATOM 306 CA LYS A 40 -13.668 10.570 36.870 1.00 0.00 ATOM 307 CB LYS A 40 -14.523 10.892 38.117 1.00 0.00 ATOM 308 CG LYS A 40 -15.253 12.229 38.035 1.00 0.00 ATOM 309 CD LYS A 40 -16.284 12.397 39.144 1.00 0.00 ATOM 310 CE LYS A 40 -15.648 12.433 40.522 1.00 0.00 ATOM 311 NZ LYS A 40 -16.691 12.571 41.580 1.00 0.00 ATOM 312 O LYS A 40 -13.118 8.282 36.511 1.00 0.00 ATOM 313 C LYS A 40 -12.794 9.328 37.025 1.00 0.00 ATOM 314 N HIS A 41 -11.689 9.464 37.746 1.00 0.00 ATOM 315 CA HIS A 41 -10.828 8.334 38.077 1.00 0.00 ATOM 316 CB HIS A 41 -9.770 8.120 36.993 1.00 0.00 ATOM 317 CG HIS A 41 -8.797 9.252 36.866 1.00 0.00 ATOM 318 CD2 HIS A 41 -7.469 9.543 37.387 1.00 0.00 ATOM 319 ND1 HIS A 41 -9.057 10.377 36.114 1.00 0.00 ATOM 320 CE1 HIS A 41 -8.005 11.210 36.193 1.00 0.00 ATOM 321 NE2 HIS A 41 -7.047 10.716 36.955 1.00 0.00 ATOM 322 O HIS A 41 -9.753 9.711 39.725 1.00 0.00 ATOM 323 C HIS A 41 -10.104 8.573 39.399 1.00 0.00 ATOM 324 N ASP A 42 -9.903 7.498 40.151 1.00 0.00 ATOM 325 CA ASP A 42 -9.127 7.525 41.389 1.00 0.00 ATOM 326 CB ASP A 42 -9.986 7.238 42.603 1.00 0.00 ATOM 327 CG ASP A 42 -9.336 7.539 43.954 1.00 0.00 ATOM 328 OD1 ASP A 42 -8.206 8.064 43.958 1.00 0.00 ATOM 329 OD2 ASP A 42 -9.978 7.311 44.988 1.00 0.00 ATOM 330 O ASP A 42 -8.280 5.329 40.916 1.00 0.00 ATOM 331 C ASP A 42 -8.082 6.536 40.977 1.00 0.00 ATOM 332 N GLY A 43 -6.881 7.057 40.651 1.00 0.00 ATOM 333 CA GLY A 43 -5.800 6.232 40.230 1.00 0.00 ATOM 334 O GLY A 43 -6.658 5.668 38.104 1.00 0.00 ATOM 335 C GLY A 43 -6.192 5.245 39.155 1.00 0.00 ATOM 336 N LEU A 44 -6.045 3.946 39.420 1.00 0.00 ATOM 337 CA LEU A 44 -6.268 2.888 38.480 1.00 0.00 ATOM 338 CB LEU A 44 -5.289 1.767 38.743 1.00 0.00 ATOM 339 CG LEU A 44 -3.849 2.201 38.427 1.00 0.00 ATOM 340 CD1 LEU A 44 -2.894 1.059 38.699 1.00 0.00 ATOM 341 CD2 LEU A 44 -3.673 2.681 37.036 1.00 0.00 ATOM 342 O LEU A 44 -7.990 1.334 37.830 1.00 0.00 ATOM 343 C LEU A 44 -7.705 2.340 38.471 1.00 0.00 ATOM 344 N LYS A 45 -7.488 2.763 40.116 1.00 0.00 ATOM 345 CA LYS A 45 -8.271 1.805 40.888 1.00 0.00 ATOM 346 CB LYS A 45 -8.080 2.046 42.371 1.00 0.00 ATOM 347 CG LYS A 45 -6.684 1.704 42.882 1.00 0.00 ATOM 348 CD LYS A 45 -6.540 2.133 44.345 1.00 0.00 ATOM 349 CE LYS A 45 -5.146 1.859 44.862 1.00 0.00 ATOM 350 NZ LYS A 45 -4.963 2.412 46.239 1.00 0.00 ATOM 351 O LYS A 45 -10.395 0.825 40.409 1.00 0.00 ATOM 352 C LYS A 45 -9.747 1.852 40.531 1.00 0.00 ATOM 353 N LYS A 46 -10.291 3.056 40.394 1.00 0.00 ATOM 354 CA LYS A 46 -11.710 3.208 40.114 1.00 0.00 ATOM 355 CB LYS A 46 -12.421 3.764 41.352 1.00 0.00 ATOM 356 CG LYS A 46 -12.401 2.832 42.551 1.00 0.00 ATOM 357 CD LYS A 46 -13.156 3.429 43.728 1.00 0.00 ATOM 358 CE LYS A 46 -13.067 2.535 44.952 1.00 0.00 ATOM 359 NZ LYS A 46 -13.796 3.112 46.115 1.00 0.00 ATOM 360 O LYS A 46 -11.350 5.312 39.012 1.00 0.00 ATOM 361 C LYS A 46 -11.890 4.207 38.974 1.00 0.00 ATOM 362 N PHE A 47 -12.648 3.801 38.002 1.00 0.00 ATOM 363 CA PHE A 47 -12.906 4.652 36.844 1.00 0.00 ATOM 364 CB PHE A 47 -12.267 4.093 35.569 1.00 0.00 ATOM 365 CG PHE A 47 -10.782 4.163 35.501 1.00 0.00 ATOM 366 CD1 PHE A 47 -10.024 3.020 35.698 1.00 0.00 ATOM 367 CD2 PHE A 47 -10.143 5.339 35.120 1.00 0.00 ATOM 368 CE1 PHE A 47 -8.650 3.035 35.508 1.00 0.00 ATOM 369 CE2 PHE A 47 -8.764 5.366 34.926 1.00 0.00 ATOM 370 CZ PHE A 47 -8.019 4.209 35.118 1.00 0.00 ATOM 371 O PHE A 47 -15.111 3.760 36.626 1.00 0.00 ATOM 372 C PHE A 47 -14.403 4.768 36.637 1.00 0.00 ATOM 373 N TRP A 48 -14.874 6.026 36.449 1.00 0.00 ATOM 374 CA TRP A 48 -16.306 6.284 36.302 1.00 0.00 ATOM 375 CB TRP A 48 -16.683 7.280 37.359 1.00 0.00 ATOM 376 CG TRP A 48 -16.624 6.879 38.790 1.00 0.00 ATOM 377 CD1 TRP A 48 -15.646 7.163 39.688 1.00 0.00 ATOM 378 CD2 TRP A 48 -17.620 6.120 39.497 1.00 0.00 ATOM 379 CE2 TRP A 48 -17.183 6.006 40.824 1.00 0.00 ATOM 380 CE3 TRP A 48 -18.831 5.550 39.164 1.00 0.00 ATOM 381 NE1 TRP A 48 -15.960 6.634 40.913 1.00 0.00 ATOM 382 CZ2 TRP A 48 -17.910 5.345 41.806 1.00 0.00 ATOM 383 CZ3 TRP A 48 -19.571 4.916 40.131 1.00 0.00 ATOM 384 CH2 TRP A 48 -19.107 4.822 41.438 1.00 0.00 ATOM 385 O TRP A 48 -16.083 7.608 34.345 1.00 0.00 ATOM 386 C TRP A 48 -16.688 6.695 34.898 1.00 0.00 ATOM 387 N LEU A 49 -17.715 6.051 34.356 1.00 0.00 ATOM 388 CA LEU A 49 -18.298 6.400 33.064 1.00 0.00 ATOM 389 CB LEU A 49 -18.095 5.240 32.101 1.00 0.00 ATOM 390 CG LEU A 49 -16.642 4.751 31.961 1.00 0.00 ATOM 391 CD1 LEU A 49 -16.609 3.594 30.962 1.00 0.00 ATOM 392 CD2 LEU A 49 -15.730 5.885 31.538 1.00 0.00 ATOM 393 O LEU A 49 -20.412 6.211 34.189 1.00 0.00 ATOM 394 C LEU A 49 -19.825 6.551 33.177 1.00 0.00 ATOM 395 N SER A 50 -20.460 7.069 32.138 1.00 0.00 ATOM 396 CA SER A 50 -21.912 7.137 32.142 1.00 0.00 ATOM 397 CB SER A 50 -22.385 8.593 32.116 1.00 0.00 ATOM 398 OG SER A 50 -21.981 9.238 30.919 1.00 0.00 ATOM 399 O SER A 50 -21.970 6.663 29.811 1.00 0.00 ATOM 400 C SER A 50 -22.541 6.552 30.890 1.00 0.00 ATOM 401 N THR A 51 -23.695 5.956 31.020 1.00 0.00 ATOM 402 CA THR A 51 -24.338 5.288 29.871 1.00 0.00 ATOM 403 CB THR A 51 -23.978 3.796 29.791 1.00 0.00 ATOM 404 CG2 THR A 51 -22.472 3.600 29.825 1.00 0.00 ATOM 405 OG1 THR A 51 -24.581 3.095 30.881 1.00 0.00 ATOM 406 O THR A 51 -26.301 5.996 31.086 1.00 0.00 ATOM 407 C THR A 51 -25.845 5.428 30.087 1.00 0.00 ATOM 408 N ASN A 52 -26.586 4.718 29.145 1.00 0.00 ATOM 409 CA ASN A 52 -28.033 4.611 29.290 1.00 0.00 ATOM 410 CB ASN A 52 -28.759 4.340 27.972 1.00 0.00 ATOM 411 CG ASN A 52 -28.481 5.292 26.842 1.00 0.00 ATOM 412 ND2 ASN A 52 -27.426 5.044 26.064 1.00 0.00 ATOM 413 OD1 ASN A 52 -29.246 6.232 26.616 1.00 0.00 ATOM 414 O ASN A 52 -27.784 2.317 29.987 1.00 0.00 ATOM 415 C ASN A 52 -28.433 3.366 30.072 1.00 0.00 ATOM 416 N THR A 53 -29.525 3.456 30.809 1.00 0.00 ATOM 417 CA THR A 53 -30.013 2.319 31.581 1.00 0.00 ATOM 418 CB THR A 53 -31.290 2.676 32.365 1.00 0.00 ATOM 419 CG2 THR A 53 -31.814 1.458 33.109 1.00 0.00 ATOM 420 OG1 THR A 53 -31.002 3.712 33.313 1.00 0.00 ATOM 421 O THR A 53 -29.933 -0.008 31.053 1.00 0.00 ATOM 422 C THR A 53 -30.208 1.122 30.659 1.00 0.00 ATOM 423 N SER A 54 -30.700 1.368 29.440 1.00 0.00 ATOM 424 CA SER A 54 -30.914 0.291 28.452 1.00 0.00 ATOM 425 CB SER A 54 -32.187 0.616 27.673 1.00 0.00 ATOM 426 OG SER A 54 -32.045 1.815 26.935 1.00 0.00 ATOM 427 O SER A 54 -30.115 -0.610 26.401 1.00 0.00 ATOM 428 C SER A 54 -29.851 -0.009 27.426 1.00 0.00 ATOM 429 N THR A 55 -28.603 0.541 27.695 1.00 0.00 ATOM 430 CA THR A 55 -27.522 0.412 26.710 1.00 0.00 ATOM 431 CB THR A 55 -26.233 0.990 27.257 1.00 0.00 ATOM 432 CG2 THR A 55 -25.202 1.036 26.131 1.00 0.00 ATOM 433 OG1 THR A 55 -26.486 2.326 27.715 1.00 0.00 ATOM 434 O THR A 55 -27.293 -1.785 27.641 1.00 0.00 ATOM 435 C THR A 55 -27.087 -1.058 26.670 1.00 0.00 ATOM 436 N ARG A 56 -26.463 -1.475 25.565 1.00 0.00 ATOM 437 CA ARG A 56 -25.882 -2.815 25.470 1.00 0.00 ATOM 438 CB ARG A 56 -25.312 -2.999 24.027 1.00 0.00 ATOM 439 CG ARG A 56 -26.359 -2.999 22.908 1.00 0.00 ATOM 440 CD ARG A 56 -25.695 -3.132 21.537 1.00 0.00 ATOM 441 NE ARG A 56 -24.896 -4.349 21.484 1.00 0.00 ATOM 442 CZ ARG A 56 -25.391 -5.564 21.278 1.00 0.00 ATOM 443 NH1 ARG A 56 -26.693 -5.728 21.074 1.00 0.00 ATOM 444 NH2 ARG A 56 -24.594 -6.620 21.342 1.00 0.00 ATOM 445 O ARG A 56 -24.709 -4.170 27.063 1.00 0.00 ATOM 446 C ARG A 56 -24.827 -3.065 26.555 1.00 0.00 ATOM 447 N MET A 57 -24.050 -2.039 26.898 1.00 0.00 ATOM 448 CA MET A 57 -23.086 -2.144 27.992 1.00 0.00 ATOM 449 CB MET A 57 -22.336 -0.823 28.170 1.00 0.00 ATOM 450 CG MET A 57 -21.367 -0.501 27.043 1.00 0.00 ATOM 451 SD MET A 57 -20.603 1.123 27.223 1.00 0.00 ATOM 452 CE MET A 57 -19.570 0.852 28.662 1.00 0.00 ATOM 453 O MET A 57 -23.309 -3.346 30.056 1.00 0.00 ATOM 454 C MET A 57 -23.767 -2.479 29.314 1.00 0.00 ATOM 455 N VAL A 58 -24.881 -1.784 29.608 1.00 0.00 ATOM 456 CA VAL A 58 -25.617 -2.017 30.840 1.00 0.00 ATOM 457 CB VAL A 58 -26.726 -0.969 31.032 1.00 0.00 ATOM 458 CG1 VAL A 58 -27.559 -1.307 32.268 1.00 0.00 ATOM 459 CG2 VAL A 58 -26.103 0.418 31.176 1.00 0.00 ATOM 460 O VAL A 58 -26.124 -4.117 31.866 1.00 0.00 ATOM 461 C VAL A 58 -26.165 -3.434 30.841 1.00 0.00 ATOM 462 N GLU A 59 -26.709 -3.886 29.698 1.00 0.00 ATOM 463 CA GLU A 59 -27.269 -5.232 29.612 1.00 0.00 ATOM 464 CB GLU A 59 -27.908 -5.464 28.217 1.00 0.00 ATOM 465 CG GLU A 59 -29.064 -4.538 27.856 1.00 0.00 ATOM 466 CD GLU A 59 -29.649 -4.836 26.478 1.00 0.00 ATOM 467 OE1 GLU A 59 -28.875 -5.199 25.564 1.00 0.00 ATOM 468 OE2 GLU A 59 -30.878 -4.688 26.302 1.00 0.00 ATOM 469 O GLU A 59 -26.435 -7.262 30.591 1.00 0.00 ATOM 470 C GLU A 59 -26.204 -6.310 29.851 1.00 0.00 ATOM 471 N ARG A 60 -25.034 -6.167 29.211 1.00 0.00 ATOM 472 CA ARG A 60 -23.957 -7.136 29.332 1.00 0.00 ATOM 473 CB ARG A 60 -22.754 -6.694 28.496 1.00 0.00 ATOM 474 CG ARG A 60 -23.016 -6.723 27.009 1.00 0.00 ATOM 475 CD ARG A 60 -22.017 -5.895 26.264 1.00 0.00 ATOM 476 NE ARG A 60 -22.270 -5.788 24.845 1.00 0.00 ATOM 477 CZ ARG A 60 -21.707 -4.925 24.001 1.00 0.00 ATOM 478 NH1 ARG A 60 -20.825 -4.067 24.461 1.00 0.00 ATOM 479 NH2 ARG A 60 -22.033 -4.929 22.705 1.00 0.00 ATOM 480 O ARG A 60 -23.290 -8.338 31.320 1.00 0.00 ATOM 481 C ARG A 60 -23.513 -7.244 30.797 1.00 0.00 ATOM 482 N LEU A 61 -23.288 -6.087 31.422 1.00 0.00 ATOM 483 CA LEU A 61 -22.782 -6.005 32.775 1.00 0.00 ATOM 484 CB LEU A 61 -22.555 -4.567 33.195 1.00 0.00 ATOM 485 CG LEU A 61 -21.630 -3.841 32.238 1.00 0.00 ATOM 486 CD1 LEU A 61 -21.469 -2.436 32.712 1.00 0.00 ATOM 487 CD2 LEU A 61 -20.283 -4.537 32.176 1.00 0.00 ATOM 488 O LEU A 61 -23.384 -7.173 34.770 1.00 0.00 ATOM 489 C LEU A 61 -23.775 -6.570 33.765 1.00 0.00 ATOM 490 N LYS A 62 -25.078 -6.345 33.522 1.00 0.00 ATOM 491 CA LYS A 62 -26.085 -6.893 34.453 1.00 0.00 ATOM 492 CB LYS A 62 -27.474 -6.548 33.910 1.00 0.00 ATOM 493 CG LYS A 62 -28.617 -7.016 34.796 1.00 0.00 ATOM 494 CD LYS A 62 -29.962 -6.569 34.244 1.00 0.00 ATOM 495 CE LYS A 62 -31.106 -7.020 35.138 1.00 0.00 ATOM 496 NZ LYS A 62 -32.428 -6.587 34.610 1.00 0.00 ATOM 497 O LYS A 62 -26.429 -8.945 35.647 1.00 0.00 ATOM 498 C LYS A 62 -25.954 -8.398 34.653 1.00 0.00 ATOM 499 N LYS A 63 -25.288 -9.084 33.639 1.00 0.00 ATOM 500 CA LYS A 63 -25.115 -10.531 33.718 1.00 0.00 ATOM 501 CB LYS A 63 -25.688 -11.202 32.469 1.00 0.00 ATOM 502 CG LYS A 63 -27.180 -10.986 32.275 1.00 0.00 ATOM 503 CD LYS A 63 -27.687 -11.705 31.036 1.00 0.00 ATOM 504 CE LYS A 63 -29.181 -11.493 30.849 1.00 0.00 ATOM 505 NZ LYS A 63 -29.674 -12.110 29.585 1.00 0.00 ATOM 506 O LYS A 63 -23.411 -12.045 34.461 1.00 0.00 ATOM 507 C LYS A 63 -23.661 -10.992 33.882 1.00 0.00 ATOM 508 N ASN A 64 -22.701 -10.195 33.399 1.00 0.00 ATOM 509 CA ASN A 64 -21.299 -10.529 33.552 1.00 0.00 ATOM 510 CB ASN A 64 -20.769 -11.073 32.224 1.00 0.00 ATOM 511 CG ASN A 64 -19.351 -11.596 32.331 1.00 0.00 ATOM 512 ND2 ASN A 64 -18.949 -12.425 31.374 1.00 0.00 ATOM 513 OD1 ASN A 64 -18.623 -11.257 33.266 1.00 0.00 ATOM 514 O ASN A 64 -20.284 -8.450 33.088 1.00 0.00 ATOM 515 C ASN A 64 -20.503 -9.292 33.932 1.00 0.00 ATOM 516 N ASN A 65 -20.066 -9.180 35.203 1.00 0.00 ATOM 517 CA ASN A 65 -19.341 -7.989 35.635 1.00 0.00 ATOM 518 CB ASN A 65 -19.233 -7.956 37.161 1.00 0.00 ATOM 519 CG ASN A 65 -20.558 -7.644 37.831 1.00 0.00 ATOM 520 ND2 ASN A 65 -20.660 -7.968 39.113 1.00 0.00 ATOM 521 OD1 ASN A 65 -21.474 -7.118 37.201 1.00 0.00 ATOM 522 O ASN A 65 -17.386 -6.724 35.105 1.00 0.00 ATOM 523 C ASN A 65 -17.931 -7.826 35.059 1.00 0.00 ATOM 524 N LYS A 66 -17.337 -8.907 34.552 1.00 0.00 ATOM 525 CA LYS A 66 -15.954 -8.861 34.116 1.00 0.00 ATOM 526 CB LYS A 66 -15.502 -10.251 33.665 1.00 0.00 ATOM 527 CG LYS A 66 -14.024 -10.341 33.318 1.00 0.00 ATOM 528 CD LYS A 66 -13.625 -11.764 32.966 1.00 0.00 ATOM 529 CE LYS A 66 -12.144 -11.857 32.637 1.00 0.00 ATOM 530 NZ LYS A 66 -11.739 -13.247 32.292 1.00 0.00 ATOM 531 O LYS A 66 -16.407 -7.964 31.929 1.00 0.00 ATOM 532 C LYS A 66 -15.716 -7.899 32.955 1.00 0.00 ATOM 533 N ILE A 67 -14.732 -7.021 33.153 1.00 0.00 ATOM 534 CA ILE A 67 -14.457 -5.922 32.228 1.00 0.00 ATOM 535 CB ILE A 67 -14.837 -4.575 32.868 1.00 0.00 ATOM 536 CG1 ILE A 67 -16.336 -4.569 33.186 1.00 0.00 ATOM 537 CG2 ILE A 67 -14.487 -3.430 31.930 1.00 0.00 ATOM 538 CD1 ILE A 67 -17.230 -4.796 31.981 1.00 0.00 ATOM 539 O ILE A 67 -12.103 -6.043 32.763 1.00 0.00 ATOM 540 C ILE A 67 -12.978 -5.677 31.958 1.00 0.00 ATOM 541 N CYS A 68 -12.708 -5.047 30.810 1.00 0.00 ATOM 542 CA CYS A 68 -11.377 -4.622 30.426 1.00 0.00 ATOM 543 CB CYS A 68 -10.829 -5.472 29.314 1.00 0.00 ATOM 544 SG CYS A 68 -11.641 -5.241 27.740 1.00 0.00 ATOM 545 O CYS A 68 -12.488 -2.670 29.583 1.00 0.00 ATOM 546 C CYS A 68 -11.448 -3.151 30.042 1.00 0.00 ATOM 547 N LEU A 69 -10.363 -2.431 30.265 1.00 0.00 ATOM 548 CA LEU A 69 -10.328 -0.998 29.995 1.00 0.00 ATOM 549 CB LEU A 69 -10.686 -0.167 31.230 1.00 0.00 ATOM 550 CG LEU A 69 -10.609 1.353 31.071 1.00 0.00 ATOM 551 CD1 LEU A 69 -11.664 1.845 30.090 1.00 0.00 ATOM 552 CD2 LEU A 69 -10.842 2.045 32.406 1.00 0.00 ATOM 553 O LEU A 69 -7.939 -0.968 30.273 1.00 0.00 ATOM 554 C LEU A 69 -8.905 -0.632 29.580 1.00 0.00 ATOM 555 N TYR A 70 -8.763 0.050 28.464 1.00 0.00 ATOM 556 CA TYR A 70 -7.449 0.461 27.973 1.00 0.00 ATOM 557 CB TYR A 70 -6.954 -0.425 26.844 1.00 0.00 ATOM 558 CG TYR A 70 -7.651 -0.308 25.507 1.00 0.00 ATOM 559 CD1 TYR A 70 -7.189 0.584 24.539 1.00 0.00 ATOM 560 CD2 TYR A 70 -8.720 -1.143 25.180 1.00 0.00 ATOM 561 CE1 TYR A 70 -7.800 0.677 23.281 1.00 0.00 ATOM 562 CE2 TYR A 70 -9.341 -1.072 23.918 1.00 0.00 ATOM 563 CZ TYR A 70 -8.875 -0.156 22.976 1.00 0.00 ATOM 564 OH TYR A 70 -9.466 -0.085 21.731 1.00 0.00 ATOM 565 O TYR A 70 -8.527 2.549 27.399 1.00 0.00 ATOM 566 C TYR A 70 -7.462 1.938 27.610 1.00 0.00 ATOM 567 N PHE A 71 -6.272 2.517 27.594 1.00 0.00 ATOM 568 CA PHE A 71 -6.109 3.910 27.241 1.00 0.00 ATOM 569 CB PHE A 71 -6.258 4.843 28.444 1.00 0.00 ATOM 570 CG PHE A 71 -5.181 4.723 29.484 1.00 0.00 ATOM 571 CD1 PHE A 71 -5.358 3.896 30.591 1.00 0.00 ATOM 572 CD2 PHE A 71 -4.021 5.496 29.401 1.00 0.00 ATOM 573 CE1 PHE A 71 -4.394 3.841 31.612 1.00 0.00 ATOM 574 CE2 PHE A 71 -3.051 5.447 30.415 1.00 0.00 ATOM 575 CZ PHE A 71 -3.241 4.619 31.520 1.00 0.00 ATOM 576 O PHE A 71 -3.843 3.147 26.880 1.00 0.00 ATOM 577 C PHE A 71 -4.686 4.043 26.691 1.00 0.00 ATOM 578 N VAL A 72 -4.464 5.116 25.951 1.00 0.00 ATOM 579 CA VAL A 72 -3.220 5.262 25.173 1.00 0.00 ATOM 580 CB VAL A 72 -3.430 4.885 23.692 1.00 0.00 ATOM 581 CG1 VAL A 72 -2.253 5.355 22.829 1.00 0.00 ATOM 582 CG2 VAL A 72 -3.590 3.371 23.559 1.00 0.00 ATOM 583 O VAL A 72 -3.577 7.642 25.000 1.00 0.00 ATOM 584 C VAL A 72 -2.769 6.726 25.181 1.00 0.00 ATOM 585 N ASP A 73 -1.479 6.941 25.424 1.00 0.00 ATOM 586 CA ASP A 73 -0.899 8.275 25.317 1.00 0.00 ATOM 587 CB ASP A 73 -0.792 8.938 26.690 1.00 0.00 ATOM 588 CG ASP A 73 -0.423 10.405 26.602 1.00 0.00 ATOM 589 OD1 ASP A 73 -0.519 10.976 25.495 1.00 0.00 ATOM 590 OD2 ASP A 73 -0.038 10.987 27.639 1.00 0.00 ATOM 591 O ASP A 73 1.326 7.373 25.347 1.00 0.00 ATOM 592 C ASP A 73 0.447 7.928 24.691 1.00 0.00 ATOM 593 N ASP A 74 0.515 8.348 23.362 1.00 0.00 ATOM 594 CA ASP A 74 1.758 8.141 22.610 1.00 0.00 ATOM 595 CB ASP A 74 2.728 9.296 22.918 1.00 0.00 ATOM 596 CG ASP A 74 3.964 9.219 22.082 1.00 0.00 ATOM 597 OD1 ASP A 74 4.183 8.231 21.346 1.00 0.00 ATOM 598 OD2 ASP A 74 4.802 10.187 22.226 1.00 0.00 ATOM 599 O ASP A 74 3.209 6.583 23.717 1.00 0.00 ATOM 600 C ASP A 74 2.269 6.742 22.937 1.00 0.00 ATOM 601 N ASN A 75 1.561 5.722 22.412 1.00 0.00 ATOM 602 CA ASN A 75 1.927 4.330 22.660 1.00 0.00 ATOM 603 CB ASN A 75 1.034 3.420 21.872 1.00 0.00 ATOM 604 CG ASN A 75 1.173 1.969 22.297 1.00 0.00 ATOM 605 ND2 ASN A 75 0.880 1.634 23.538 1.00 0.00 ATOM 606 OD1 ASN A 75 1.579 1.209 21.393 1.00 0.00 ATOM 607 O ASN A 75 3.967 3.100 22.786 1.00 0.00 ATOM 608 C ASN A 75 3.353 4.018 22.244 1.00 0.00 ATOM 609 N LYS A 76 3.882 4.772 21.287 1.00 0.00 ATOM 610 CA LYS A 76 5.255 4.553 20.856 1.00 0.00 ATOM 611 CB LYS A 76 5.638 5.433 19.705 1.00 0.00 ATOM 612 CG LYS A 76 4.777 5.250 18.472 1.00 0.00 ATOM 613 CD LYS A 76 5.195 6.218 17.379 1.00 0.00 ATOM 614 CE LYS A 76 4.344 6.062 16.133 1.00 0.00 ATOM 615 NZ LYS A 76 4.729 7.051 15.095 1.00 0.00 ATOM 616 O LYS A 76 7.285 4.154 22.085 1.00 0.00 ATOM 617 C LYS A 76 6.201 4.741 22.037 1.00 0.00 ATOM 618 N PHE A 77 5.791 5.592 22.974 1.00 0.00 ATOM 619 CA PHE A 77 6.602 5.862 24.157 1.00 0.00 ATOM 620 CB PHE A 77 7.129 7.328 24.069 1.00 0.00 ATOM 621 CG PHE A 77 8.037 7.713 25.222 1.00 0.00 ATOM 622 CD1 PHE A 77 9.405 7.467 25.148 1.00 0.00 ATOM 623 CD2 PHE A 77 7.533 8.330 26.362 1.00 0.00 ATOM 624 CE1 PHE A 77 10.280 7.796 26.188 1.00 0.00 ATOM 625 CE2 PHE A 77 8.408 8.638 27.415 1.00 0.00 ATOM 626 CZ PHE A 77 9.770 8.418 27.341 1.00 0.00 ATOM 627 O PHE A 77 6.321 5.203 26.444 1.00 0.00 ATOM 628 C PHE A 77 5.796 5.341 25.338 1.00 0.00 ATOM 629 N ALA A 78 4.236 4.910 25.333 1.00 0.00 ATOM 630 CA ALA A 78 3.377 4.434 26.410 1.00 0.00 ATOM 631 CB ALA A 78 3.101 5.623 27.352 1.00 0.00 ATOM 632 O ALA A 78 1.225 4.509 25.421 1.00 0.00 ATOM 633 C ALA A 78 2.002 3.853 26.114 1.00 0.00 ATOM 634 N GLY A 79 1.538 2.948 27.000 1.00 0.00 ATOM 635 CA GLY A 79 0.240 2.333 26.797 1.00 0.00 ATOM 636 O GLY A 79 0.877 1.037 28.717 1.00 0.00 ATOM 637 C GLY A 79 -0.040 1.538 28.062 1.00 0.00 ATOM 638 N LEU A 80 -1.317 1.418 28.402 1.00 0.00 ATOM 639 CA LEU A 80 -1.734 0.672 29.581 1.00 0.00 ATOM 640 CB LEU A 80 -1.932 1.578 30.750 1.00 0.00 ATOM 641 CG LEU A 80 -2.330 0.912 32.051 1.00 0.00 ATOM 642 CD1 LEU A 80 -1.264 -0.117 32.462 1.00 0.00 ATOM 643 CD2 LEU A 80 -2.420 1.966 33.123 1.00 0.00 ATOM 644 O LEU A 80 -3.957 0.569 28.677 1.00 0.00 ATOM 645 C LEU A 80 -3.078 -0.014 29.342 1.00 0.00 ATOM 646 N MET A 81 -3.182 -1.272 29.714 1.00 0.00 ATOM 647 CA MET A 81 -4.445 -2.003 29.566 1.00 0.00 ATOM 648 CB MET A 81 -4.290 -3.029 28.444 1.00 0.00 ATOM 649 CG MET A 81 -5.527 -3.880 28.202 1.00 0.00 ATOM 650 SD MET A 81 -5.317 -5.041 26.841 1.00 0.00 ATOM 651 CE MET A 81 -5.417 -3.935 25.434 1.00 0.00 ATOM 652 O MET A 81 -3.887 -3.460 31.365 1.00 0.00 ATOM 653 C MET A 81 -4.696 -2.640 30.921 1.00 0.00 ATOM 654 N LEU A 82 -5.841 -2.422 31.460 1.00 0.00 ATOM 655 CA LEU A 82 -6.210 -2.959 32.763 1.00 0.00 ATOM 656 CB LEU A 82 -6.624 -1.823 33.716 1.00 0.00 ATOM 657 CG LEU A 82 -5.618 -0.696 33.874 1.00 0.00 ATOM 658 CD1 LEU A 82 -6.214 0.420 34.706 1.00 0.00 ATOM 659 CD2 LEU A 82 -4.345 -1.241 34.486 1.00 0.00 ATOM 660 O LEU A 82 -8.199 -3.860 31.806 1.00 0.00 ATOM 661 C LEU A 82 -7.295 -3.982 32.653 1.00 0.00 ATOM 662 N VAL A 83 -7.266 -4.941 33.559 1.00 0.00 ATOM 663 CA VAL A 83 -8.356 -5.880 33.690 1.00 0.00 ATOM 664 CB VAL A 83 -7.870 -7.335 33.551 1.00 0.00 ATOM 665 CG1 VAL A 83 -9.020 -8.305 33.772 1.00 0.00 ATOM 666 CG2 VAL A 83 -7.296 -7.578 32.164 1.00 0.00 ATOM 667 O VAL A 83 -8.254 -5.302 36.012 1.00 0.00 ATOM 668 C VAL A 83 -8.963 -5.668 35.080 1.00 0.00 ATOM 669 N GLY A 84 -10.348 -5.915 35.151 1.00 0.00 ATOM 670 CA GLY A 84 -11.100 -5.730 36.376 1.00 0.00 ATOM 671 O GLY A 84 -13.001 -6.817 35.398 1.00 0.00 ATOM 672 C GLY A 84 -12.572 -6.022 36.244 1.00 0.00 ATOM 673 N THR A 85 -13.361 -5.393 37.107 1.00 0.00 ATOM 674 CA THR A 85 -14.787 -5.596 37.069 1.00 0.00 ATOM 675 CB THR A 85 -15.285 -6.361 38.311 1.00 0.00 ATOM 676 CG2 THR A 85 -14.593 -7.712 38.413 1.00 0.00 ATOM 677 OG1 THR A 85 -14.996 -5.603 39.491 1.00 0.00 ATOM 678 O THR A 85 -15.158 -3.386 37.790 1.00 0.00 ATOM 679 C THR A 85 -15.527 -4.274 37.031 1.00 0.00 ATOM 680 N ILE A 86 -16.709 -4.304 36.396 1.00 0.00 ATOM 681 CA ILE A 86 -17.618 -3.153 36.403 1.00 0.00 ATOM 682 CB ILE A 86 -17.920 -2.697 34.946 1.00 0.00 ATOM 683 CG1 ILE A 86 -17.046 -1.493 34.582 1.00 0.00 ATOM 684 CG2 ILE A 86 -19.406 -2.381 34.738 1.00 0.00 ATOM 685 CD1 ILE A 86 -16.742 -1.375 33.094 1.00 0.00 ATOM 686 O ILE A 86 -19.532 -4.493 36.934 1.00 0.00 ATOM 687 C ILE A 86 -18.937 -3.421 37.114 1.00 0.00 ATOM 688 N GLU A 87 -19.425 -2.409 37.832 1.00 0.00 ATOM 689 CA GLU A 87 -20.767 -2.444 38.433 1.00 0.00 ATOM 690 CB GLU A 87 -20.661 -2.249 39.945 1.00 0.00 ATOM 691 CG GLU A 87 -22.031 -2.038 40.600 1.00 0.00 ATOM 692 CD GLU A 87 -21.962 -1.505 42.024 1.00 0.00 ATOM 693 OE1 GLU A 87 -21.527 -0.349 42.230 1.00 0.00 ATOM 694 OE2 GLU A 87 -22.358 -2.239 42.944 1.00 0.00 ATOM 695 O GLU A 87 -21.102 -0.130 37.908 1.00 0.00 ATOM 696 C GLU A 87 -21.610 -1.244 38.022 1.00 0.00 ATOM 697 N ILE A 88 -22.869 -1.499 37.768 1.00 0.00 ATOM 698 CA ILE A 88 -23.800 -0.442 37.396 1.00 0.00 ATOM 699 CB ILE A 88 -24.963 -1.112 36.641 1.00 0.00 ATOM 700 CG1 ILE A 88 -24.439 -1.866 35.417 1.00 0.00 ATOM 701 CG2 ILE A 88 -25.966 -0.069 36.174 1.00 0.00 ATOM 702 CD1 ILE A 88 -25.477 -2.738 34.747 1.00 0.00 ATOM 703 O ILE A 88 -24.930 -0.300 39.505 1.00 0.00 ATOM 704 C ILE A 88 -24.321 0.312 38.616 1.00 0.00 ATOM 705 N LEU A 89 -24.138 1.632 38.645 1.00 0.00 ATOM 706 CA LEU A 89 -24.545 2.374 39.826 1.00 0.00 ATOM 707 CB LEU A 89 -23.382 3.209 40.366 1.00 0.00 ATOM 708 CG LEU A 89 -23.673 4.048 41.610 1.00 0.00 ATOM 709 CD1 LEU A 89 -23.939 3.154 42.812 1.00 0.00 ATOM 710 CD2 LEU A 89 -22.490 4.946 41.942 1.00 0.00 ATOM 711 O LEU A 89 -25.739 3.992 38.504 1.00 0.00 ATOM 712 C LEU A 89 -25.702 3.328 39.534 1.00 0.00 ATOM 713 N HIS A 90 -26.677 3.345 40.441 1.00 0.00 ATOM 714 CA HIS A 90 -27.854 4.188 40.253 1.00 0.00 ATOM 715 CB HIS A 90 -28.828 2.942 39.475 1.00 0.00 ATOM 716 CG HIS A 90 -29.262 2.096 40.639 1.00 0.00 ATOM 717 CD2 HIS A 90 -30.181 2.295 41.609 1.00 0.00 ATOM 718 ND1 HIS A 90 -28.642 0.891 40.907 1.00 0.00 ATOM 719 CE1 HIS A 90 -29.172 0.365 42.001 1.00 0.00 ATOM 720 NE2 HIS A 90 -30.093 1.195 42.448 1.00 0.00 ATOM 721 O HIS A 90 -29.042 5.660 41.736 1.00 0.00 ATOM 722 C HIS A 90 -27.970 5.107 41.474 1.00 0.00 ATOM 723 N ASP A 91 -26.910 5.211 42.295 1.00 0.00 ATOM 724 CA ASP A 91 -26.984 6.014 43.519 1.00 0.00 ATOM 725 CB ASP A 91 -25.619 5.915 44.203 1.00 0.00 ATOM 726 CG ASP A 91 -25.544 6.731 45.480 1.00 0.00 ATOM 727 OD1 ASP A 91 -26.517 7.455 45.776 1.00 0.00 ATOM 728 OD2 ASP A 91 -24.512 6.646 46.179 1.00 0.00 ATOM 729 O ASP A 91 -26.582 7.972 42.172 1.00 0.00 ATOM 730 C ASP A 91 -27.255 7.463 43.070 1.00 0.00 ATOM 731 N ARG A 92 -28.325 8.060 43.602 1.00 0.00 ATOM 732 CA ARG A 92 -28.726 9.440 43.254 1.00 0.00 ATOM 733 CB ARG A 92 -30.034 9.782 44.042 1.00 0.00 ATOM 734 CG ARG A 92 -31.285 9.055 43.556 1.00 0.00 ATOM 735 CD ARG A 92 -32.556 9.675 44.138 1.00 0.00 ATOM 736 NE ARG A 92 -32.666 9.493 45.584 1.00 0.00 ATOM 737 CZ ARG A 92 -33.094 8.382 46.173 1.00 0.00 ATOM 738 NH1 ARG A 92 -33.467 7.336 45.447 1.00 0.00 ATOM 739 NH2 ARG A 92 -33.151 8.318 47.498 1.00 0.00 ATOM 740 O ARG A 92 -27.366 11.364 42.793 1.00 0.00 ATOM 741 C ARG A 92 -27.617 10.442 43.564 1.00 0.00 ATOM 742 N ALA A 93 -26.912 10.245 44.685 1.00 0.00 ATOM 743 CA ALA A 93 -25.826 11.125 45.097 1.00 0.00 ATOM 744 CB ALA A 93 -25.309 10.696 46.462 1.00 0.00 ATOM 745 O ALA A 93 -24.222 12.193 43.644 1.00 0.00 ATOM 746 C ALA A 93 -24.691 11.125 44.069 1.00 0.00 ATOM 747 N SER A 94 -24.234 9.932 43.652 1.00 0.00 ATOM 748 CA SER A 94 -23.163 9.884 42.673 1.00 0.00 ATOM 749 CB SER A 94 -22.634 8.421 42.561 1.00 0.00 ATOM 750 OG SER A 94 -21.960 8.060 43.760 1.00 0.00 ATOM 751 O SER A 94 -22.803 10.989 40.580 1.00 0.00 ATOM 752 C SER A 94 -23.604 10.407 41.311 1.00 0.00 ATOM 753 N LYS A 95 -24.876 10.100 40.911 1.00 0.00 ATOM 754 CA LYS A 95 -25.399 10.567 39.630 1.00 0.00 ATOM 755 CB LYS A 95 -26.870 10.164 39.519 1.00 0.00 ATOM 756 CG LYS A 95 -27.089 8.690 39.223 1.00 0.00 ATOM 757 CD LYS A 95 -28.569 8.364 39.102 1.00 0.00 ATOM 758 CE LYS A 95 -28.787 6.888 38.809 1.00 0.00 ATOM 759 NZ LYS A 95 -30.234 6.545 38.737 1.00 0.00 ATOM 760 O LYS A 95 -24.701 12.639 38.619 1.00 0.00 ATOM 761 C LYS A 95 -25.275 12.087 39.561 1.00 0.00 ATOM 762 N GLU A 96 -25.694 12.754 40.632 1.00 0.00 ATOM 763 CA GLU A 96 -25.652 14.199 40.720 1.00 0.00 ATOM 764 CB GLU A 96 -26.334 14.689 41.984 1.00 0.00 ATOM 765 CG GLU A 96 -27.777 14.245 42.121 1.00 0.00 ATOM 766 CD GLU A 96 -28.442 14.797 43.367 1.00 0.00 ATOM 767 OE1 GLU A 96 -27.899 14.592 44.473 1.00 0.00 ATOM 768 OE2 GLU A 96 -29.507 15.434 43.242 1.00 0.00 ATOM 769 O GLU A 96 -23.829 15.608 40.079 1.00 0.00 ATOM 770 C GLU A 96 -24.223 14.695 40.820 1.00 0.00 ATOM 771 N MET A 97 -23.394 14.124 41.698 1.00 0.00 ATOM 772 CA MET A 97 -22.001 14.574 41.812 1.00 0.00 ATOM 773 CB MET A 97 -21.322 13.812 42.972 1.00 0.00 ATOM 774 CG MET A 97 -21.835 14.244 44.351 1.00 0.00 ATOM 775 SD MET A 97 -21.069 13.408 45.757 1.00 0.00 ATOM 776 CE MET A 97 -19.414 14.170 45.762 1.00 0.00 ATOM 777 O MET A 97 -20.336 15.285 40.210 1.00 0.00 ATOM 778 C MET A 97 -21.202 14.448 40.502 1.00 0.00 ATOM 779 N LEU A 98 -21.472 13.394 39.742 1.00 0.00 ATOM 780 CA LEU A 98 -20.684 13.123 38.535 1.00 0.00 ATOM 781 CB LEU A 98 -20.574 11.385 38.655 1.00 0.00 ATOM 782 CG LEU A 98 -19.360 10.548 38.232 1.00 0.00 ATOM 783 CD1 LEU A 98 -19.375 9.208 38.956 1.00 0.00 ATOM 784 CD2 LEU A 98 -19.365 10.354 36.719 1.00 0.00 ATOM 785 O LEU A 98 -20.719 13.468 36.146 1.00 0.00 ATOM 786 C LEU A 98 -21.276 13.678 37.237 1.00 0.00 ATOM 787 N TRP A 99 -22.432 14.330 37.367 1.00 0.00 ATOM 788 CA TRP A 99 -23.107 14.938 36.232 1.00 0.00 ATOM 789 CB TRP A 99 -24.391 15.634 36.685 1.00 0.00 ATOM 790 CG TRP A 99 -25.196 16.202 35.555 1.00 0.00 ATOM 791 CD1 TRP A 99 -25.274 17.512 35.181 1.00 0.00 ATOM 792 CD2 TRP A 99 -26.036 15.474 34.651 1.00 0.00 ATOM 793 CE2 TRP A 99 -26.592 16.412 33.756 1.00 0.00 ATOM 794 CE3 TRP A 99 -26.374 14.126 34.508 1.00 0.00 ATOM 795 NE1 TRP A 99 -26.109 17.649 34.101 1.00 0.00 ATOM 796 CZ2 TRP A 99 -27.466 16.039 32.733 1.00 0.00 ATOM 797 CZ3 TRP A 99 -27.239 13.763 33.495 1.00 0.00 ATOM 798 CH2 TRP A 99 -27.776 14.712 32.620 1.00 0.00 ATOM 799 O TRP A 99 -21.693 16.893 36.240 1.00 0.00 ATOM 800 C TRP A 99 -22.243 16.011 35.568 1.00 0.00 ATOM 801 N THR A 100 -22.116 15.904 34.246 1.00 0.00 ATOM 802 CA THR A 100 -21.395 16.884 33.430 1.00 0.00 ATOM 803 CB THR A 100 -20.466 16.204 32.414 1.00 0.00 ATOM 804 CG2 THR A 100 -19.727 17.282 31.554 1.00 0.00 ATOM 805 OG1 THR A 100 -19.489 15.404 33.101 1.00 0.00 ATOM 806 O THR A 100 -23.445 17.062 32.289 1.00 0.00 ATOM 807 C THR A 100 -22.391 17.607 32.564 1.00 0.00 ATOM 808 N ASP A 101 -22.095 18.853 32.193 1.00 0.00 ATOM 809 CA ASP A 101 -22.998 19.621 31.336 1.00 0.00 ATOM 810 CB ASP A 101 -22.341 21.014 31.044 1.00 0.00 ATOM 811 CG ASP A 101 -22.379 21.967 32.215 1.00 0.00 ATOM 812 OD1 ASP A 101 -23.052 21.653 33.222 1.00 0.00 ATOM 813 OD2 ASP A 101 -21.741 23.036 32.125 1.00 0.00 ATOM 814 O ASP A 101 -24.449 18.991 29.569 1.00 0.00 ATOM 815 C ASP A 101 -23.319 18.921 30.042 1.00 0.00 ATOM 816 N GLY A 102 -22.324 18.245 29.457 1.00 0.00 ATOM 817 CA GLY A 102 -22.518 17.624 28.151 1.00 0.00 ATOM 818 O GLY A 102 -23.969 15.942 27.193 1.00 0.00 ATOM 819 C GLY A 102 -23.456 16.408 28.229 1.00 0.00 ATOM 820 N CYS A 103 -23.766 15.980 29.452 1.00 0.00 ATOM 821 CA CYS A 103 -24.784 14.923 29.689 1.00 0.00 ATOM 822 CB CYS A 103 -24.865 14.585 31.178 1.00 0.00 ATOM 823 SG CYS A 103 -23.374 13.813 31.854 1.00 0.00 ATOM 824 O CYS A 103 -27.062 14.448 29.152 1.00 0.00 ATOM 825 C CYS A 103 -26.187 15.316 29.222 1.00 0.00 ATOM 826 N GLU A 104 -26.459 16.620 29.127 1.00 0.00 ATOM 827 CA GLU A 104 -27.811 17.072 28.775 1.00 0.00 ATOM 828 CB GLU A 104 -27.861 18.623 28.945 1.00 0.00 ATOM 829 CG GLU A 104 -29.199 19.228 28.504 1.00 0.00 ATOM 830 CD GLU A 104 -29.259 20.759 28.575 1.00 0.00 ATOM 831 OE1 GLU A 104 -30.302 21.320 28.166 1.00 0.00 ATOM 832 OE2 GLU A 104 -28.281 21.403 29.017 1.00 0.00 ATOM 833 O GLU A 104 -29.415 16.206 27.224 1.00 0.00 ATOM 834 C GLU A 104 -28.249 16.553 27.414 1.00 0.00 ATOM 835 N ILE A 105 -27.315 16.446 26.471 1.00 0.00 ATOM 836 CA ILE A 105 -27.615 15.937 25.138 1.00 0.00 ATOM 837 CB ILE A 105 -26.377 16.260 24.174 1.00 0.00 ATOM 838 CG1 ILE A 105 -26.154 17.768 24.040 1.00 0.00 ATOM 839 CG2 ILE A 105 -26.625 15.657 22.788 1.00 0.00 ATOM 840 CD1 ILE A 105 -24.794 18.113 23.479 1.00 0.00 ATOM 841 O ILE A 105 -28.742 13.998 24.328 1.00 0.00 ATOM 842 C ILE A 105 -27.973 14.486 25.155 1.00 0.00 ATOM 843 N TYR A 106 -27.475 13.709 26.202 1.00 0.00 ATOM 844 CA TYR A 106 -27.881 12.303 26.273 1.00 0.00 ATOM 845 CB TYR A 106 -26.489 11.492 26.529 1.00 0.00 ATOM 846 CG TYR A 106 -25.334 11.838 25.615 1.00 0.00 ATOM 847 CD1 TYR A 106 -25.522 11.986 24.243 1.00 0.00 ATOM 848 CD2 TYR A 106 -24.048 12.006 26.124 1.00 0.00 ATOM 849 CE1 TYR A 106 -24.457 12.296 23.399 1.00 0.00 ATOM 850 CE2 TYR A 106 -22.979 12.312 25.292 1.00 0.00 ATOM 851 CZ TYR A 106 -23.188 12.458 23.931 1.00 0.00 ATOM 852 OH TYR A 106 -22.131 12.777 23.106 1.00 0.00 ATOM 853 O TYR A 106 -29.702 10.989 27.027 1.00 0.00 ATOM 854 C TYR A 106 -28.975 11.940 27.254 1.00 0.00 ATOM 855 N TYR A 107 -29.070 12.683 28.358 1.00 0.00 ATOM 856 CA TYR A 107 -30.068 12.431 29.389 1.00 0.00 ATOM 857 CB TYR A 107 -29.487 11.508 30.556 1.00 0.00 ATOM 858 CG TYR A 107 -28.429 10.531 30.071 1.00 0.00 ATOM 859 CD1 TYR A 107 -28.771 9.458 29.257 1.00 0.00 ATOM 860 CD2 TYR A 107 -27.087 10.734 30.379 1.00 0.00 ATOM 861 CE1 TYR A 107 -27.811 8.585 28.780 1.00 0.00 ATOM 862 CE2 TYR A 107 -26.122 9.859 29.909 1.00 0.00 ATOM 863 CZ TYR A 107 -26.481 8.797 29.105 1.00 0.00 ATOM 864 OH TYR A 107 -25.516 7.931 28.637 1.00 0.00 ATOM 865 O TYR A 107 -30.556 14.497 30.521 1.00 0.00 ATOM 866 C TYR A 107 -30.874 13.690 29.661 1.00 0.00 ATOM 867 N PRO A 108 -31.897 13.956 28.783 1.00 0.00 ATOM 868 CA PRO A 108 -32.686 15.190 28.857 1.00 0.00 ATOM 869 CB PRO A 108 -33.758 14.936 27.803 1.00 0.00 ATOM 870 CG PRO A 108 -33.082 14.158 26.842 1.00 0.00 ATOM 871 CD PRO A 108 -32.280 13.112 27.614 1.00 0.00 ATOM 872 O PRO A 108 -33.841 16.624 30.407 1.00 0.00 ATOM 873 C PRO A 108 -33.412 15.481 30.181 1.00 0.00 ATOM 874 N LEU A 109 -33.542 14.435 31.113 1.00 0.00 ATOM 875 CA LEU A 109 -34.195 14.614 32.410 1.00 0.00 ATOM 876 CB LEU A 109 -34.957 13.248 32.709 1.00 0.00 ATOM 877 CG LEU A 109 -35.932 12.698 31.660 1.00 0.00 ATOM 878 CD1 LEU A 109 -36.550 11.393 32.166 1.00 0.00 ATOM 879 CD2 LEU A 109 -37.021 13.723 31.384 1.00 0.00 ATOM 880 O LEU A 109 -33.758 15.382 34.629 1.00 0.00 ATOM 881 C LEU A 109 -33.314 15.190 33.498 1.00 0.00 ATOM 882 N GLY A 110 -32.124 15.412 33.165 1.00 0.00 ATOM 883 CA GLY A 110 -31.116 15.856 34.136 1.00 0.00 ATOM 884 O GLY A 110 -30.701 13.562 34.709 1.00 0.00 ATOM 885 C GLY A 110 -30.562 14.755 35.006 1.00 0.00 ATOM 886 N ILE A 111 -29.806 15.154 36.199 1.00 0.00 ATOM 887 CA ILE A 111 -29.194 14.205 37.080 1.00 0.00 ATOM 888 CB ILE A 111 -28.453 14.960 38.198 1.00 0.00 ATOM 889 CG1 ILE A 111 -29.445 15.742 39.060 1.00 0.00 ATOM 890 CG2 ILE A 111 -27.451 15.939 37.607 1.00 0.00 ATOM 891 CD1 ILE A 111 -28.829 16.353 40.299 1.00 0.00 ATOM 892 O ILE A 111 -29.729 12.126 38.156 1.00 0.00 ATOM 893 C ILE A 111 -30.156 13.176 37.676 1.00 0.00 ATOM 894 N ASP A 112 -31.455 13.516 37.640 1.00 0.00 ATOM 895 CA ASP A 112 -32.428 12.590 38.207 1.00 0.00 ATOM 896 CB ASP A 112 -33.534 13.484 38.775 1.00 0.00 ATOM 897 CG ASP A 112 -33.024 14.434 39.840 1.00 0.00 ATOM 898 OD1 ASP A 112 -32.324 13.970 40.765 1.00 0.00 ATOM 899 OD2 ASP A 112 -33.322 15.644 39.749 1.00 0.00 ATOM 900 O ASP A 112 -34.138 11.100 37.425 1.00 0.00 ATOM 901 C ASP A 112 -33.146 11.771 37.144 1.00 0.00 ATOM 902 N ASP A 113 -32.601 11.771 35.847 1.00 0.00 ATOM 903 CA ASP A 113 -33.187 10.987 34.779 1.00 0.00 ATOM 904 CB ASP A 113 -32.405 11.298 33.501 1.00 0.00 ATOM 905 CG ASP A 113 -32.989 10.614 32.279 1.00 0.00 ATOM 906 OD1 ASP A 113 -33.952 9.837 32.439 1.00 0.00 ATOM 907 OD2 ASP A 113 -32.481 10.862 31.163 1.00 0.00 ATOM 908 O ASP A 113 -31.919 9.005 35.271 1.00 0.00 ATOM 909 C ASP A 113 -33.025 9.484 35.019 1.00 0.00 ATOM 910 N PRO A 114 -34.146 8.735 35.044 1.00 0.00 ATOM 911 CA PRO A 114 -34.118 7.283 35.259 1.00 0.00 ATOM 912 CB PRO A 114 -35.578 6.880 35.046 1.00 0.00 ATOM 913 CG PRO A 114 -36.328 8.085 35.485 1.00 0.00 ATOM 914 CD PRO A 114 -35.529 9.215 34.883 1.00 0.00 ATOM 915 O PRO A 114 -32.561 5.600 34.564 1.00 0.00 ATOM 916 C PRO A 114 -33.214 6.591 34.249 1.00 0.00 ATOM 917 N ASP A 115 -33.160 7.135 33.042 1.00 0.00 ATOM 918 CA ASP A 115 -32.330 6.559 31.988 1.00 0.00 ATOM 919 CB ASP A 115 -32.642 7.233 30.651 1.00 0.00 ATOM 920 CG ASP A 115 -34.005 6.850 30.112 1.00 0.00 ATOM 921 OD1 ASP A 115 -34.590 5.867 30.615 1.00 0.00 ATOM 922 OD2 ASP A 115 -34.488 7.533 29.185 1.00 0.00 ATOM 923 O ASP A 115 -30.033 6.135 31.485 1.00 0.00 ATOM 924 C ASP A 115 -30.830 6.717 32.221 1.00 0.00 ATOM 925 N TYR A 116 -30.425 7.557 33.243 1.00 0.00 ATOM 926 CA TYR A 116 -29.005 7.780 33.501 1.00 0.00 ATOM 927 CB TYR A 116 -28.778 9.285 33.792 1.00 0.00 ATOM 928 CG TYR A 116 -27.368 9.593 34.204 1.00 0.00 ATOM 929 CD1 TYR A 116 -26.325 9.546 33.278 1.00 0.00 ATOM 930 CD2 TYR A 116 -27.060 9.868 35.533 1.00 0.00 ATOM 931 CE1 TYR A 116 -25.011 9.761 33.672 1.00 0.00 ATOM 932 CE2 TYR A 116 -25.751 10.085 35.933 1.00 0.00 ATOM 933 CZ TYR A 116 -24.732 10.029 35.003 1.00 0.00 ATOM 934 OH TYR A 116 -23.431 10.228 35.394 1.00 0.00 ATOM 935 O TYR A 116 -29.048 6.535 35.567 1.00 0.00 ATOM 936 C TYR A 116 -28.533 6.715 34.455 1.00 0.00 ATOM 937 N THR A 117 -27.366 6.113 34.110 1.00 0.00 ATOM 938 CA THR A 117 -26.678 5.188 34.936 1.00 0.00 ATOM 939 CB THR A 117 -26.897 3.686 34.656 1.00 0.00 ATOM 940 CG2 THR A 117 -28.348 3.296 34.930 1.00 0.00 ATOM 941 OG1 THR A 117 -26.593 3.410 33.284 1.00 0.00 ATOM 942 O THR A 117 -24.640 5.855 33.859 1.00 0.00 ATOM 943 C THR A 117 -25.169 5.438 34.905 1.00 0.00 ATOM 944 N ALA A 118 -24.490 5.168 36.018 1.00 0.00 ATOM 945 CA ALA A 118 -23.030 5.222 36.062 1.00 0.00 ATOM 946 CB ALA A 118 -22.536 5.750 37.410 1.00 0.00 ATOM 947 O ALA A 118 -23.000 2.849 36.392 1.00 0.00 ATOM 948 C ALA A 118 -22.388 3.848 36.007 1.00 0.00 ATOM 949 N LEU A 119 -21.178 3.792 35.468 1.00 0.00 ATOM 950 CA LEU A 119 -20.419 2.550 35.406 1.00 0.00 ATOM 951 CB LEU A 119 -20.056 2.167 33.969 1.00 0.00 ATOM 952 CG LEU A 119 -21.229 1.914 33.020 1.00 0.00 ATOM 953 CD1 LEU A 119 -20.731 1.675 31.602 1.00 0.00 ATOM 954 CD2 LEU A 119 -22.020 0.693 33.458 1.00 0.00 ATOM 955 O LEU A 119 -18.364 3.687 35.932 1.00 0.00 ATOM 956 C LEU A 119 -19.152 2.775 36.214 1.00 0.00 ATOM 957 N CYS A 120 -19.014 2.003 37.287 1.00 0.00 ATOM 958 CA CYS A 120 -17.827 2.074 38.128 1.00 0.00 ATOM 959 CB CYS A 120 -18.333 1.794 39.518 1.00 0.00 ATOM 960 SG CYS A 120 -16.942 1.960 40.696 1.00 0.00 ATOM 961 O CYS A 120 -17.396 -0.243 37.872 1.00 0.00 ATOM 962 C CYS A 120 -16.929 0.896 37.773 1.00 0.00 ATOM 963 N PHE A 121 -15.735 1.174 37.237 1.00 0.00 ATOM 964 CA PHE A 121 -14.797 0.133 36.845 1.00 0.00 ATOM 965 CB PHE A 121 -14.390 0.373 35.380 1.00 0.00 ATOM 966 CG PHE A 121 -13.223 -0.469 34.914 1.00 0.00 ATOM 967 CD1 PHE A 121 -13.409 -1.789 34.515 1.00 0.00 ATOM 968 CD2 PHE A 121 -11.940 0.078 34.842 1.00 0.00 ATOM 969 CE1 PHE A 121 -12.335 -2.555 34.043 1.00 0.00 ATOM 970 CE2 PHE A 121 -10.861 -0.677 34.376 1.00 0.00 ATOM 971 CZ PHE A 121 -11.061 -1.995 33.973 1.00 0.00 ATOM 972 O PHE A 121 -13.217 1.091 38.313 1.00 0.00 ATOM 973 C PHE A 121 -13.754 0.025 37.966 1.00 0.00 ATOM 974 N THR A 122 -13.589 -1.165 38.500 1.00 0.00 ATOM 975 CA THR A 122 -12.611 -1.380 39.572 1.00 0.00 ATOM 976 CB THR A 122 -13.262 -1.996 40.825 1.00 0.00 ATOM 977 CG2 THR A 122 -12.212 -2.241 41.901 1.00 0.00 ATOM 978 OG1 THR A 122 -14.253 -1.100 41.341 1.00 0.00 ATOM 979 O THR A 122 -11.889 -3.486 38.707 1.00 0.00 ATOM 980 C THR A 122 -11.566 -2.338 39.048 1.00 0.00 ATOM 981 N ALA A 123 -10.310 -1.887 39.066 1.00 0.00 ATOM 982 CA ALA A 123 -9.211 -2.602 38.411 1.00 0.00 ATOM 983 CB ALA A 123 -8.094 -1.635 38.051 1.00 0.00 ATOM 984 O ALA A 123 -8.509 -3.451 40.520 1.00 0.00 ATOM 985 C ALA A 123 -8.629 -3.672 39.320 1.00 0.00 ATOM 986 N GLU A 124 -8.278 -4.818 38.720 1.00 0.00 ATOM 987 CA GLU A 124 -7.628 -5.943 39.419 1.00 0.00 ATOM 988 CB GLU A 124 -8.398 -7.241 39.185 1.00 0.00 ATOM 989 CG GLU A 124 -9.796 -7.251 39.804 1.00 0.00 ATOM 990 CD GLU A 124 -9.799 -7.027 41.324 1.00 0.00 ATOM 991 OE1 GLU A 124 -9.724 -5.857 41.776 1.00 0.00 ATOM 992 OE2 GLU A 124 -9.898 -8.029 42.077 1.00 0.00 ATOM 993 O GLU A 124 -5.343 -6.486 39.849 1.00 0.00 ATOM 994 C GLU A 124 -6.158 -6.069 39.032 1.00 0.00 ATOM 995 N TRP A 125 -5.850 -5.826 37.760 1.00 0.00 ATOM 996 CA TRP A 125 -4.505 -6.066 37.239 1.00 0.00 ATOM 997 CB TRP A 125 -4.514 -7.286 36.329 1.00 0.00 ATOM 998 CG TRP A 125 -4.750 -8.578 37.069 1.00 0.00 ATOM 999 CD1 TRP A 125 -5.943 -9.062 37.533 1.00 0.00 ATOM 1000 CD2 TRP A 125 -3.767 -9.573 37.388 1.00 0.00 ATOM 1001 CE2 TRP A 125 -4.434 -10.621 38.060 1.00 0.00 ATOM 1002 CE3 TRP A 125 -2.397 -9.704 37.138 1.00 0.00 ATOM 1003 NE1 TRP A 125 -5.757 -10.281 38.145 1.00 0.00 ATOM 1004 CZ2 TRP A 125 -3.774 -11.766 38.496 1.00 0.00 ATOM 1005 CZ3 TRP A 125 -1.747 -10.820 37.582 1.00 0.00 ATOM 1006 CH2 TRP A 125 -2.433 -11.849 38.245 1.00 0.00 ATOM 1007 O TRP A 125 -5.122 -4.486 35.528 1.00 0.00 ATOM 1008 C TRP A 125 -4.207 -5.045 36.143 1.00 0.00 ATOM 1009 N GLY A 126 -2.837 -4.862 35.595 1.00 0.00 ATOM 1010 CA GLY A 126 -2.428 -3.957 34.554 1.00 0.00 ATOM 1011 O GLY A 126 -0.411 -5.267 34.171 1.00 0.00 ATOM 1012 C GLY A 126 -1.276 -4.488 33.703 1.00 0.00 ATOM 1013 N ASN A 127 -1.411 -4.176 32.413 1.00 0.00 ATOM 1014 CA ASN A 127 -0.312 -4.406 31.470 1.00 0.00 ATOM 1015 CB ASN A 127 -0.863 -5.157 30.259 1.00 0.00 ATOM 1016 CG ASN A 127 -1.813 -6.245 30.654 1.00 0.00 ATOM 1017 ND2 ASN A 127 -1.306 -7.160 31.370 1.00 0.00 ATOM 1018 OD1 ASN A 127 -3.004 -6.232 30.334 1.00 0.00 ATOM 1019 O ASN A 127 -0.544 -2.291 30.395 1.00 0.00 ATOM 1020 C ASN A 127 0.213 -3.110 30.926 1.00 0.00 ATOM 1021 N TYR A 128 1.506 -2.834 31.179 1.00 0.00 ATOM 1022 CA TYR A 128 2.141 -1.574 30.838 1.00 0.00 ATOM 1023 CB TYR A 128 3.165 -1.356 31.913 1.00 0.00 ATOM 1024 CG TYR A 128 2.473 -0.879 33.161 1.00 0.00 ATOM 1025 CD1 TYR A 128 1.996 0.427 33.245 1.00 0.00 ATOM 1026 CD2 TYR A 128 2.321 -1.717 34.274 1.00 0.00 ATOM 1027 CE1 TYR A 128 1.395 0.893 34.404 1.00 0.00 ATOM 1028 CE2 TYR A 128 1.717 -1.256 35.437 1.00 0.00 ATOM 1029 CZ TYR A 128 1.264 0.052 35.488 1.00 0.00 ATOM 1030 OH TYR A 128 0.705 0.560 36.630 1.00 0.00 ATOM 1031 O TYR A 128 3.746 -2.819 29.583 1.00 0.00 ATOM 1032 C TYR A 128 3.067 -1.774 29.676 1.00 0.00 ATOM 1033 N TYR A 129 3.136 -0.771 28.823 1.00 0.00 ATOM 1034 CA TYR A 129 3.897 -0.810 27.589 1.00 0.00 ATOM 1035 CB TYR A 129 3.013 -0.656 26.338 1.00 0.00 ATOM 1036 CG TYR A 129 1.856 -1.631 26.277 1.00 0.00 ATOM 1037 CD1 TYR A 129 0.708 -1.403 27.027 1.00 0.00 ATOM 1038 CD2 TYR A 129 1.910 -2.766 25.479 1.00 0.00 ATOM 1039 CE1 TYR A 129 -0.349 -2.294 26.998 1.00 0.00 ATOM 1040 CE2 TYR A 129 0.849 -3.658 25.436 1.00 0.00 ATOM 1041 CZ TYR A 129 -0.268 -3.412 26.195 1.00 0.00 ATOM 1042 OH TYR A 129 -1.339 -4.282 26.178 1.00 0.00 ATOM 1043 O TYR A 129 5.417 0.737 26.566 1.00 0.00 ATOM 1044 C TYR A 129 4.775 0.442 27.572 1.00 0.00 ATOM 1045 N ARG A 130 4.816 1.233 28.733 1.00 0.00 ATOM 1046 CA ARG A 130 5.613 2.462 28.841 1.00 0.00 ATOM 1047 CB ARG A 130 5.232 2.993 30.225 1.00 0.00 ATOM 1048 CG ARG A 130 5.630 4.439 30.467 1.00 0.00 ATOM 1049 CD ARG A 130 5.207 4.905 31.851 1.00 0.00 ATOM 1050 NE ARG A 130 5.602 6.287 32.108 1.00 0.00 ATOM 1051 CZ ARG A 130 4.890 7.349 31.741 1.00 0.00 ATOM 1052 NH1 ARG A 130 5.330 8.570 32.017 1.00 0.00 ATOM 1053 NH2 ARG A 130 3.743 7.185 31.097 1.00 0.00 ATOM 1054 O ARG A 130 7.698 1.343 29.137 1.00 0.00 ATOM 1055 C ARG A 130 7.115 2.344 28.710 1.00 0.00 ATOM 1056 N HIS A 131 7.723 3.371 28.115 1.00 0.00 ATOM 1057 CA HIS A 131 9.155 3.379 27.755 1.00 0.00 ATOM 1058 CB HIS A 131 10.022 3.443 29.013 1.00 0.00 ATOM 1059 CG HIS A 131 9.765 4.648 29.863 1.00 0.00 ATOM 1060 CD2 HIS A 131 9.247 4.879 31.205 1.00 0.00 ATOM 1061 ND1 HIS A 131 10.025 5.930 29.437 1.00 0.00 ATOM 1062 CE1 HIS A 131 9.694 6.792 30.416 1.00 0.00 ATOM 1063 NE2 HIS A 131 9.227 6.169 31.479 1.00 0.00 ATOM 1064 O HIS A 131 10.602 1.502 27.256 1.00 0.00 ATOM 1065 C HIS A 131 9.578 2.143 26.959 1.00 0.00 ATOM 1066 N LEU A 132 8.687 1.789 25.947 1.00 0.00 ATOM 1067 CA LEU A 132 8.879 0.595 25.116 1.00 0.00 ATOM 1068 CB LEU A 132 9.812 0.898 23.945 1.00 0.00 ATOM 1069 CG LEU A 132 9.352 1.910 22.891 1.00 0.00 ATOM 1070 CD1 LEU A 132 10.481 2.297 21.933 1.00 0.00 ATOM 1071 CD2 LEU A 132 8.173 1.369 22.118 1.00 0.00 ATOM 1072 O LEU A 132 9.933 -1.541 25.441 1.00 0.00 ATOM 1073 C LEU A 132 9.212 -0.649 25.921 1.00 0.00 ATOM 1074 N LYS A 133 8.693 -0.698 27.149 1.00 0.00 ATOM 1075 CA LYS A 133 8.936 -1.794 28.067 1.00 0.00 ATOM 1076 CB LYS A 133 9.740 -1.318 29.277 1.00 0.00 ATOM 1077 CG LYS A 133 11.157 -0.876 28.949 1.00 0.00 ATOM 1078 CD LYS A 133 11.925 -0.502 30.206 1.00 0.00 ATOM 1079 CE LYS A 133 13.327 -0.022 29.873 1.00 0.00 ATOM 1080 NZ LYS A 133 14.102 0.325 31.098 1.00 0.00 ATOM 1081 O LYS A 133 6.788 -1.666 29.118 1.00 0.00 ATOM 1082 C LYS A 133 7.624 -2.379 28.557 1.00 0.00 ATOM 1083 N ASN A 134 7.469 -3.694 28.409 1.00 0.00 ATOM 1084 CA ASN A 134 6.263 -4.362 28.873 1.00 0.00 ATOM 1085 CB ASN A 134 6.310 -5.712 28.212 1.00 0.00 ATOM 1086 CG ASN A 134 5.741 -5.504 26.807 1.00 0.00 ATOM 1087 ND2 ASN A 134 6.373 -6.091 25.797 1.00 0.00 ATOM 1088 OD1 ASN A 134 4.755 -4.789 26.642 1.00 0.00 ATOM 1089 O ASN A 134 7.336 -5.550 30.666 1.00 0.00 ATOM 1090 C ASN A 134 6.385 -4.851 30.324 1.00 0.00 ATOM 1091 N ILE A 135 5.366 -4.559 31.134 1.00 0.00 ATOM 1092 CA ILE A 135 5.280 -5.046 32.523 1.00 0.00 ATOM 1093 CB ILE A 135 5.731 -3.984 33.544 1.00 0.00 ATOM 1094 CG1 ILE A 135 7.191 -3.597 33.299 1.00 0.00 ATOM 1095 CG2 ILE A 135 5.607 -4.523 34.961 1.00 0.00 ATOM 1096 CD1 ILE A 135 7.666 -2.439 34.151 1.00 0.00 ATOM 1097 O ILE A 135 2.969 -4.591 32.766 1.00 0.00 ATOM 1098 C ILE A 135 3.864 -5.429 32.857 1.00 0.00 ATOM 1099 N THR A 136 3.663 -6.662 33.288 1.00 0.00 ATOM 1100 CA THR A 136 2.384 -7.176 33.760 1.00 0.00 ATOM 1101 CB THR A 136 2.037 -8.500 33.039 1.00 0.00 ATOM 1102 CG2 THR A 136 1.849 -8.271 31.545 1.00 0.00 ATOM 1103 OG1 THR A 136 3.102 -9.436 33.241 1.00 0.00 ATOM 1104 O THR A 136 3.393 -7.874 35.822 1.00 0.00 ATOM 1105 C THR A 136 2.450 -7.283 35.270 1.00 0.00 ATOM 1106 N PHE A 137 1.363 -6.640 35.860 1.00 0.00 ATOM 1107 CA PHE A 137 1.308 -6.673 37.311 1.00 0.00 ATOM 1108 CB PHE A 137 1.482 -5.273 37.914 1.00 0.00 ATOM 1109 CG PHE A 137 2.931 -4.871 38.091 1.00 0.00 ATOM 1110 CD1 PHE A 137 3.798 -5.687 38.836 1.00 0.00 ATOM 1111 CD2 PHE A 137 3.422 -3.604 37.636 1.00 0.00 ATOM 1112 CE1 PHE A 137 5.130 -5.312 39.069 1.00 0.00 ATOM 1113 CE2 PHE A 137 4.747 -3.240 37.871 1.00 0.00 ATOM 1114 CZ PHE A 137 5.618 -4.089 38.554 1.00 0.00 ATOM 1115 O PHE A 137 -0.994 -6.626 36.958 1.00 0.00 ATOM 1116 C PHE A 137 -0.129 -6.912 37.719 1.00 0.00 ATOM 1117 N LYS A 138 -0.379 -7.376 38.935 1.00 0.00 ATOM 1118 CA LYS A 138 -1.667 -7.465 39.537 1.00 0.00 ATOM 1119 CB LYS A 138 -1.751 -8.767 40.367 1.00 0.00 ATOM 1120 CG LYS A 138 -3.137 -9.164 40.878 1.00 0.00 ATOM 1121 CD LYS A 138 -3.137 -10.415 41.772 1.00 0.00 ATOM 1122 CE LYS A 138 -4.441 -10.687 42.543 1.00 0.00 ATOM 1123 NZ LYS A 138 -4.288 -11.733 43.572 1.00 0.00 ATOM 1124 O LYS A 138 -1.027 -5.812 41.157 1.00 0.00 ATOM 1125 C LYS A 138 -1.907 -6.222 40.398 1.00 0.00 ATOM 1126 N ILE A 139 -3.065 -5.562 40.237 1.00 0.00 ATOM 1127 CA ILE A 139 -3.362 -4.347 40.992 1.00 0.00 ATOM 1128 CB ILE A 139 -4.597 -3.637 40.509 1.00 0.00 ATOM 1129 CG1 ILE A 139 -4.492 -3.085 39.105 1.00 0.00 ATOM 1130 CG2 ILE A 139 -5.104 -2.583 41.501 1.00 0.00 ATOM 1131 CD1 ILE A 139 -3.447 -2.013 38.917 1.00 0.00 ATOM 1132 O ILE A 139 -2.836 -3.895 43.286 1.00 0.00 ATOM 1133 C ILE A 139 -3.414 -4.636 42.491 1.00 0.00 ATOM 1134 N ASP A 140 -4.121 -5.699 42.875 1.00 0.00 ATOM 1135 CA ASP A 140 -4.233 -6.077 44.285 1.00 0.00 ATOM 1136 CB ASP A 140 -5.120 -7.317 44.452 1.00 0.00 ATOM 1137 CG ASP A 140 -6.598 -7.018 44.276 1.00 0.00 ATOM 1138 OD1 ASP A 140 -6.973 -5.827 44.237 1.00 0.00 ATOM 1139 OD2 ASP A 140 -7.386 -7.980 44.192 1.00 0.00 ATOM 1140 O ASP A 140 -2.480 -5.827 45.906 1.00 0.00 ATOM 1141 C ASP A 140 -2.852 -6.363 44.862 1.00 0.00 ATOM 1142 N GLU A 141 -2.050 -7.118 44.105 1.00 0.00 ATOM 1143 CA GLU A 141 -0.701 -7.469 44.536 1.00 0.00 ATOM 1144 CB GLU A 141 -0.110 -8.477 43.548 1.00 0.00 ATOM 1145 CG GLU A 141 1.335 -8.837 43.791 1.00 0.00 ATOM 1146 CD GLU A 141 1.845 -9.805 42.745 1.00 0.00 ATOM 1147 OE1 GLU A 141 1.984 -9.399 41.568 1.00 0.00 ATOM 1148 OE2 GLU A 141 2.091 -10.974 43.101 1.00 0.00 ATOM 1149 O GLU A 141 0.804 -5.974 45.676 1.00 0.00 ATOM 1150 C GLU A 141 0.189 -6.227 44.637 1.00 0.00 ATOM 1151 N ILE A 142 0.216 -5.407 43.590 1.00 0.00 ATOM 1152 CA ILE A 142 1.014 -4.186 43.563 1.00 0.00 ATOM 1153 CB ILE A 142 0.992 -3.473 42.277 1.00 0.00 ATOM 1154 CG1 ILE A 142 2.200 -2.520 42.147 1.00 0.00 ATOM 1155 CG2 ILE A 142 -0.311 -2.720 42.053 1.00 0.00 ATOM 1156 CD1 ILE A 142 3.453 -3.221 41.870 1.00 0.00 ATOM 1157 O ILE A 142 1.424 -2.493 45.206 1.00 0.00 ATOM 1158 C ILE A 142 0.587 -3.164 44.610 1.00 0.00 ATOM 1159 N TYR A 143 -0.718 -3.038 44.842 1.00 0.00 ATOM 1160 CA TYR A 143 -1.227 -2.107 45.845 1.00 0.00 ATOM 1161 CB TYR A 143 -2.685 -2.250 45.989 1.00 0.00 ATOM 1162 CG TYR A 143 -3.296 -1.657 47.212 1.00 0.00 ATOM 1163 CD1 TYR A 143 -3.363 -0.284 47.416 1.00 0.00 ATOM 1164 CD2 TYR A 143 -3.838 -2.487 48.186 1.00 0.00 ATOM 1165 CE1 TYR A 143 -3.910 0.247 48.562 1.00 0.00 ATOM 1166 CE2 TYR A 143 -4.410 -1.969 49.326 1.00 0.00 ATOM 1167 CZ TYR A 143 -4.468 -0.587 49.498 1.00 0.00 ATOM 1168 OH TYR A 143 -5.018 -0.023 50.630 1.00 0.00 ATOM 1169 O TYR A 143 -0.176 -1.541 47.933 1.00 0.00 ATOM 1170 C TYR A 143 -0.667 -2.429 47.224 1.00 0.00 ATOM 1171 N ASN A 144 -0.730 -3.695 47.610 1.00 0.00 ATOM 1172 CA ASN A 144 -0.217 -4.137 48.899 1.00 0.00 ATOM 1173 CB ASN A 144 -0.501 -5.617 49.167 1.00 0.00 ATOM 1174 CG ASN A 144 -1.961 -5.862 49.492 1.00 0.00 ATOM 1175 ND2 ASN A 144 -2.377 -7.121 49.473 1.00 0.00 ATOM 1176 OD1 ASN A 144 -2.707 -4.918 49.754 1.00 0.00 ATOM 1177 O ASN A 144 1.813 -3.411 49.965 1.00 0.00 ATOM 1178 C ASN A 144 1.286 -3.877 48.946 1.00 0.00 ATOM 1179 N TYR A 145 1.962 -4.119 47.828 1.00 0.00 ATOM 1180 CA TYR A 145 3.414 -3.969 47.805 1.00 0.00 ATOM 1181 CB TYR A 145 3.929 -4.527 46.445 1.00 0.00 ATOM 1182 CG TYR A 145 5.440 -4.397 46.418 1.00 0.00 ATOM 1183 CD1 TYR A 145 6.239 -5.349 47.041 1.00 0.00 ATOM 1184 CD2 TYR A 145 6.026 -3.308 45.789 1.00 0.00 ATOM 1185 CE1 TYR A 145 7.623 -5.202 47.026 1.00 0.00 ATOM 1186 CE2 TYR A 145 7.399 -3.170 45.764 1.00 0.00 ATOM 1187 CZ TYR A 145 8.182 -4.118 46.389 1.00 0.00 ATOM 1188 OH TYR A 145 9.544 -3.948 46.367 1.00 0.00 ATOM 1189 O TYR A 145 4.706 -2.195 48.823 1.00 0.00 ATOM 1190 C TYR A 145 3.807 -2.510 48.019 1.00 0.00 ENDMDL EXPDTA 2hq7A MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hq7A ATOM 1 N ILE 2 7.920 -3.761 41.547 1.00 0.00 ATOM 2 CA ILE 2 7.555 -3.042 40.292 1.00 0.00 ATOM 3 CB ILE 2 6.055 -3.221 39.967 1.00 0.00 ATOM 4 CG1 ILE 2 5.791 -4.587 39.307 1.00 0.00 ATOM 5 CG2 ILE 2 5.559 -2.096 39.089 1.00 0.00 ATOM 6 CD1 ILE 2 6.299 -4.723 37.889 1.00 0.00 ATOM 7 O ILE 2 7.516 -0.855 41.318 1.00 0.00 ATOM 8 C ILE 2 7.922 -1.550 40.387 1.00 0.00 ATOM 9 N ASP 3 8.682 -1.085 39.392 1.00 0.00 ATOM 10 CA ASP 3 9.315 0.256 39.361 1.00 0.00 ATOM 11 CB ASP 3 10.333 0.326 38.205 1.00 0.00 ATOM 12 CG ASP 3 11.400 1.389 38.412 1.00 0.00 ATOM 13 OD1 ASP 3 11.083 2.596 38.291 1.00 0.00 ATOM 14 OD2 ASP 3 12.561 1.008 38.677 1.00 0.00 ATOM 15 O ASP 3 7.137 1.209 38.914 1.00 0.00 ATOM 16 C ASP 3 8.322 1.413 39.223 1.00 0.00 ATOM 17 N GLU 4 8.829 2.626 39.441 1.00 0.00 ATOM 18 CA GLU 4 8.010 3.830 39.430 1.00 0.00 ATOM 19 CB GLU 4 8.402 4.719 40.619 1.00 0.00 ATOM 20 CG GLU 4 8.317 3.989 41.969 1.00 0.00 ATOM 21 CD GLU 4 6.942 3.360 42.216 1.00 0.00 ATOM 22 OE1 GLU 4 5.938 4.095 42.126 1.00 0.00 ATOM 23 OE2 GLU 4 6.855 2.141 42.499 1.00 0.00 ATOM 24 O GLU 4 7.345 5.580 37.956 1.00 0.00 ATOM 25 C GLU 4 8.077 4.612 38.118 1.00 0.00 ATOM 26 N LYS 5 8.927 4.195 37.182 1.00 0.00 ATOM 27 CA LYS 5 9.036 4.881 35.888 1.00 0.00 ATOM 28 CB LYS 5 10.292 4.426 35.151 1.00 0.00 ATOM 29 O LYS 5 7.161 5.555 34.508 1.00 0.00 ATOM 30 C LYS 5 7.807 4.622 35.003 1.00 0.00 ATOM 31 N PHE 6 7.494 3.344 34.811 1.00 0.00 ATOM 32 CA PHE 6 6.395 2.944 33.935 1.00 0.00 ATOM 33 CB PHE 6 6.596 1.502 33.426 1.00 0.00 ATOM 34 CG PHE 6 6.330 0.439 34.457 1.00 0.00 ATOM 35 CD1 PHE 6 7.342 -0.010 35.299 1.00 0.00 ATOM 36 CD2 PHE 6 5.066 -0.121 34.577 1.00 0.00 ATOM 37 CE1 PHE 6 7.086 -0.993 36.252 1.00 0.00 ATOM 38 CE2 PHE 6 4.805 -1.099 35.527 1.00 0.00 ATOM 39 CZ PHE 6 5.812 -1.536 36.360 1.00 0.00 ATOM 40 O PHE 6 4.003 3.194 33.925 1.00 0.00 ATOM 41 C PHE 6 5.028 3.140 34.613 1.00 0.00 ATOM 42 N LEU 7 5.016 3.266 35.940 1.00 0.00 ATOM 43 CA LEU 7 3.785 3.582 36.677 1.00 0.00 ATOM 44 CB LEU 7 3.842 3.036 38.108 1.00 0.00 ATOM 45 O LEU 7 2.349 5.478 36.907 1.00 0.00 ATOM 46 C LEU 7 3.493 5.081 36.717 1.00 0.00 ATOM 47 N ILE 8 4.527 5.912 36.568 1.00 0.00 ATOM 48 CA ILE 8 4.348 7.371 36.455 1.00 0.00 ATOM 49 CB ILE 8 5.682 8.162 36.603 1.00 0.00 ATOM 50 CG1 ILE 8 5.988 8.417 38.082 1.00 0.00 ATOM 51 CG2 ILE 8 5.622 9.514 35.838 1.00 0.00 ATOM 52 CD1 ILE 8 7.413 8.909 38.338 1.00 0.00 ATOM 53 O ILE 8 2.791 8.479 35.057 1.00 0.00 ATOM 54 C ILE 8 3.725 7.697 35.117 1.00 0.00 ATOM 55 N GLU 9 4.242 7.076 34.054 1.00 0.00 ATOM 56 CA GLU 9 3.612 7.123 32.731 1.00 0.00 ATOM 57 CB GLU 9 4.494 6.427 31.687 1.00 0.00 ATOM 58 CG GLU 9 5.502 7.367 31.038 1.00 0.00 ATOM 59 CD GLU 9 6.582 6.650 30.247 1.00 0.00 ATOM 60 OE1 GLU 9 6.338 5.511 29.754 1.00 0.00 ATOM 61 OE2 GLU 9 7.685 7.239 30.122 1.00 0.00 ATOM 62 O GLU 9 1.349 7.056 31.927 1.00 0.00 ATOM 63 C GLU 9 2.173 6.549 32.671 1.00 0.00 ATOM 64 N SER 10 1.883 5.497 33.429 1.00 0.00 ATOM 65 CA SER 10 0.529 4.935 33.477 1.00 0.00 ATOM 66 CB SER 10 0.491 3.661 34.305 1.00 0.00 ATOM 67 OG SER 10 1.115 2.593 33.622 1.00 0.00 ATOM 68 O SER 10 -1.524 6.176 33.491 1.00 0.00 ATOM 69 C SER 10 -0.459 5.952 34.052 1.00 0.00 ATOM 70 N ASN 11 -0.090 6.568 35.163 1.00 0.00 ATOM 71 CA ASN 11 -0.933 7.565 35.809 1.00 0.00 ATOM 72 CB ASN 11 -0.344 7.960 37.165 1.00 0.00 ATOM 73 CG ASN 11 -0.607 6.938 38.239 1.00 0.00 ATOM 74 ND2 ASN 11 0.370 6.056 38.483 1.00 0.00 ATOM 75 OD1 ASN 11 -1.669 6.941 38.852 1.00 0.00 ATOM 76 O ASN 11 -2.170 9.436 34.986 1.00 0.00 ATOM 77 C ASN 11 -1.107 8.824 34.977 1.00 0.00 ATOM 78 N GLU 12 -0.047 9.240 34.293 1.00 0.00 ATOM 79 CA GLU 12 -0.116 10.432 33.452 1.00 0.00 ATOM 80 CB GLU 12 1.268 10.801 32.919 1.00 0.00 ATOM 81 CG GLU 12 2.137 11.559 33.935 1.00 0.00 ATOM 82 CD GLU 12 3.555 11.906 33.426 1.00 0.00 ATOM 83 OE1 GLU 12 4.073 11.240 32.490 1.00 0.00 ATOM 84 OE2 GLU 12 4.156 12.855 33.990 1.00 0.00 ATOM 85 O GLU 12 -1.838 11.069 31.890 1.00 0.00 ATOM 86 C GLU 12 -1.066 10.192 32.287 1.00 0.00 ATOM 87 N LEU 13 -0.970 9.003 31.728 1.00 0.00 ATOM 88 CA LEU 13 -1.811 8.587 30.643 1.00 0.00 ATOM 89 CB LEU 13 -1.390 7.179 30.245 1.00 0.00 ATOM 90 CG LEU 13 -1.917 6.576 28.978 1.00 0.00 ATOM 91 CD1 LEU 13 -1.781 7.583 27.823 1.00 0.00 ATOM 92 CD2 LEU 13 -1.133 5.277 28.709 1.00 0.00 ATOM 93 O LEU 13 -4.136 9.110 30.334 1.00 0.00 ATOM 94 C LEU 13 -3.285 8.599 31.059 1.00 0.00 ATOM 95 N VAL 14 -3.579 8.019 32.220 1.00 0.00 ATOM 96 CA VAL 14 -4.920 8.036 32.766 1.00 0.00 ATOM 97 CB VAL 14 -5.006 7.189 34.053 1.00 0.00 ATOM 98 CG1 VAL 14 -6.287 7.486 34.796 1.00 0.00 ATOM 99 CG2 VAL 14 -4.893 5.733 33.710 1.00 0.00 ATOM 100 O VAL 14 -6.549 9.808 32.756 1.00 0.00 ATOM 101 C VAL 14 -5.410 9.470 33.049 1.00 0.00 ATOM 102 N GLU 15 -4.546 10.314 33.607 1.00 0.00 ATOM 103 CA GLU 15 -4.951 11.670 33.968 1.00 0.00 ATOM 104 CB GLU 15 -3.905 12.351 34.844 1.00 0.00 ATOM 105 CG GLU 15 -3.921 11.867 36.290 1.00 0.00 ATOM 106 CD GLU 15 -2.627 12.191 37.026 1.00 0.00 ATOM 107 OE1 GLU 15 -2.078 13.306 36.832 1.00 0.00 ATOM 108 OE2 GLU 15 -2.161 11.319 37.791 1.00 0.00 ATOM 109 O GLU 15 -5.988 13.441 32.821 1.00 0.00 ATOM 110 C GLU 15 -5.210 12.517 32.749 1.00 0.00 ATOM 111 N SER 16 -4.593 12.180 31.624 1.00 0.00 ATOM 112 CA SER 16 -4.753 12.968 30.407 1.00 0.00 ATOM 113 CB SER 16 -3.476 12.916 29.549 1.00 0.00 ATOM 114 OG SER 16 -3.293 11.623 28.953 1.00 0.00 ATOM 115 O SER 16 -6.309 13.148 28.622 1.00 0.00 ATOM 116 C SER 16 -5.932 12.487 29.581 1.00 0.00 ATOM 117 N SER 17 -6.492 11.333 29.938 1.00 0.00 ATOM 118 CA SER 17 -7.515 10.671 29.127 1.00 0.00 ATOM 119 CB SER 17 -7.499 9.186 29.418 1.00 0.00 ATOM 120 OG SER 17 -8.177 8.947 30.656 1.00 0.00 ATOM 121 O SER 17 -9.336 11.140 30.575 1.00 0.00 ATOM 122 C SER 17 -8.922 11.155 29.435 1.00 0.00 ATOM 123 N LYS 18 -9.661 11.576 28.423 1.00 0.00 ATOM 124 CA LYS 18 -11.072 11.900 28.571 1.00 0.00 ATOM 125 CB LYS 18 -11.440 13.134 27.733 1.00 0.00 ATOM 126 O LYS 18 -12.991 10.520 28.653 1.00 0.00 ATOM 127 C LYS 18 -11.921 10.732 28.114 1.00 0.00 ATOM 128 N ILE 19 -11.462 10.036 27.072 1.00 0.00 ATOM 129 CA ILE 19 -12.132 8.887 26.488 1.00 0.00 ATOM 130 CB ILE 19 -12.314 9.067 24.951 1.00 0.00 ATOM 131 CG1 ILE 19 -13.208 10.255 24.651 1.00 0.00 ATOM 132 CG2 ILE 19 -12.956 7.842 24.306 1.00 0.00 ATOM 133 CD1 ILE 19 -14.560 10.218 25.378 1.00 0.00 ATOM 134 O ILE 19 -10.093 7.621 26.697 1.00 0.00 ATOM 135 C ILE 19 -11.323 7.633 26.771 1.00 0.00 ATOM 136 N VAL 20 -12.016 6.565 27.111 1.00 0.00 ATOM 137 CA VAL 20 -11.349 5.286 27.377 1.00 0.00 ATOM 138 CB VAL 20 -11.251 5.037 28.894 1.00 0.00 ATOM 139 CG1 VAL 20 -12.552 5.375 29.592 1.00 0.00 ATOM 140 CG2 VAL 20 -10.806 3.618 29.194 1.00 0.00 ATOM 141 O VAL 20 -13.273 4.261 26.362 1.00 0.00 ATOM 142 C VAL 20 -12.066 4.179 26.607 1.00 0.00 ATOM 143 N MET 21 -11.296 3.204 26.114 1.00 0.00 ATOM 144 CA MET 21 -11.850 2.130 25.327 1.00 0.00 ATOM 145 CB MET 21 -10.807 1.501 24.394 1.00 0.00 ATOM 146 CG MET 21 -10.249 2.391 23.282 1.00 0.00 ATOM 147 SD MET 21 -11.589 3.558 22.490 1.00 0.00 ATOM 148 CE MET 21 -11.084 5.288 23.261 1.00 0.00 ATOM 149 O MET 21 -11.476 0.790 27.231 1.00 0.00 ATOM 150 C MET 21 -12.259 1.108 26.337 1.00 0.00 ATOM 151 N VAL 22 -13.461 0.582 26.208 1.00 0.00 ATOM 152 CA VAL 22 -13.988 -0.367 27.174 1.00 0.00 ATOM 153 CB VAL 22 -15.238 0.198 27.933 1.00 0.00 ATOM 154 CG1 VAL 22 -15.827 -0.794 28.924 1.00 0.00 ATOM 155 CG2 VAL 22 -14.892 1.498 28.666 1.00 0.00 ATOM 156 O VAL 22 -15.152 -1.747 25.585 1.00 0.00 ATOM 157 C VAL 22 -14.322 -1.678 26.498 1.00 0.00 ATOM 158 N GLY 23 -13.667 -2.727 26.968 1.00 0.00 ATOM 159 CA GLY 23 -13.871 -4.025 26.446 1.00 0.00 ATOM 160 O GLY 23 -14.506 -4.874 28.556 1.00 0.00 ATOM 161 C GLY 23 -14.766 -4.813 27.362 1.00 0.00 ATOM 162 N THR 24 -15.791 -5.443 26.788 1.00 0.00 ATOM 163 CA THR 24 -16.795 -6.199 27.547 1.00 0.00 ATOM 164 CB THR 24 -18.164 -5.477 27.596 1.00 0.00 ATOM 165 CG2 THR 24 -18.026 -4.074 28.179 1.00 0.00 ATOM 166 OG1 THR 24 -18.659 -5.323 26.266 1.00 0.00 ATOM 167 O THR 24 -16.558 -7.656 25.679 1.00 0.00 ATOM 168 C THR 24 -16.956 -7.515 26.837 1.00 0.00 ATOM 169 N ASN 25 -17.513 -8.484 27.548 1.00 0.00 ATOM 170 CA ASN 25 -17.795 -9.798 27.007 1.00 0.00 ATOM 171 CB ASN 25 -17.794 -10.819 28.131 1.00 0.00 ATOM 172 CG ASN 25 -16.407 -11.152 28.616 1.00 0.00 ATOM 173 ND2 ASN 25 -16.196 -11.070 29.933 1.00 0.00 ATOM 174 OD1 ASN 25 -15.535 -11.519 27.823 1.00 0.00 ATOM 175 O ASN 25 -20.185 -9.665 26.931 1.00 0.00 ATOM 176 C ASN 25 -19.147 -9.808 26.307 1.00 0.00 ATOM 177 N GLY 26 -19.134 -9.953 24.999 1.00 0.00 ATOM 178 CA GLY 26 -20.331 -9.779 24.229 1.00 0.00 ATOM 179 O GLY 26 -20.657 -12.150 24.361 1.00 0.00 ATOM 180 C GLY 26 -21.030 -11.062 23.905 1.00 0.00 ATOM 181 N GLU 27 -22.040 -10.926 23.059 1.00 0.00 ATOM 182 CA GLU 27 -22.876 -12.040 22.633 1.00 0.00 ATOM 183 CB GLU 27 -24.012 -11.514 21.718 1.00 0.00 ATOM 184 CG GLU 27 -25.428 -11.864 22.163 1.00 0.00 ATOM 185 O GLU 27 -21.099 -12.702 21.123 1.00 0.00 ATOM 186 C GLU 27 -22.023 -13.054 21.886 1.00 0.00 ATOM 187 N ASN 28 -22.328 -14.328 22.106 1.00 0.00 ATOM 188 CA ASN 28 -21.779 -15.413 21.320 1.00 0.00 ATOM 189 CB ASN 28 -22.115 -15.249 19.830 1.00 0.00 ATOM 190 CG ASN 28 -23.595 -15.339 19.552 1.00 0.00 ATOM 191 ND2 ASN 28 -24.139 -14.316 18.898 1.00 0.00 ATOM 192 OD1 ASN 28 -24.244 -16.318 19.917 1.00 0.00 ATOM 193 O ASN 28 -19.656 -16.265 20.683 1.00 0.00 ATOM 194 C ASN 28 -20.293 -15.611 21.495 1.00 0.00 ATOM 195 N GLY 29 -19.740 -15.076 22.564 1.00 0.00 ATOM 196 CA GLY 29 -18.371 -15.384 22.922 1.00 0.00 ATOM 197 O GLY 29 -16.180 -14.634 22.490 1.00 0.00 ATOM 198 C GLY 29 -17.380 -14.401 22.378 1.00 0.00 ATOM 199 N TYR 30 -17.864 -13.291 21.827 1.00 0.00 ATOM 200 CA TYR 30 -16.985 -12.349 21.176 1.00 0.00 ATOM 201 CB TYR 30 -17.593 -11.832 19.870 1.00 0.00 ATOM 202 CG TYR 30 -17.691 -12.854 18.757 1.00 0.00 ATOM 203 CD1 TYR 30 -18.770 -13.722 18.673 1.00 0.00 ATOM 204 CD2 TYR 30 -16.744 -12.896 17.754 1.00 0.00 ATOM 205 CE1 TYR 30 -18.855 -14.660 17.646 1.00 0.00 ATOM 206 CE2 TYR 30 -16.820 -13.813 16.744 1.00 0.00 ATOM 207 CZ TYR 30 -17.878 -14.689 16.690 1.00 0.00 ATOM 208 OH TYR 30 -17.927 -15.565 15.643 1.00 0.00 ATOM 209 O TYR 30 -17.738 -10.750 22.721 1.00 0.00 ATOM 210 C TYR 30 -16.779 -11.189 22.099 1.00 0.00 ATOM 211 N PRO 31 -15.532 -10.662 22.175 1.00 0.00 ATOM 212 CA PRO 31 -15.351 -9.403 22.866 1.00 0.00 ATOM 213 CB PRO 31 -13.822 -9.198 22.880 1.00 0.00 ATOM 214 CG PRO 31 -13.238 -10.463 22.379 1.00 0.00 ATOM 215 CD PRO 31 -14.261 -11.167 21.620 1.00 0.00 ATOM 216 O PRO 31 -16.242 -8.392 20.889 1.00 0.00 ATOM 217 C PRO 31 -15.998 -8.280 22.097 1.00 0.00 ATOM 218 N ASN 32 -16.276 -7.192 22.804 1.00 0.00 ATOM 219 CA ASN 32 -16.859 -6.045 22.198 1.00 0.00 ATOM 220 CB ASN 32 -18.347 -5.945 22.550 1.00 0.00 ATOM 221 CG ASN 32 -19.258 -6.778 21.676 1.00 0.00 ATOM 222 ND2 ASN 32 -18.726 -7.673 20.842 1.00 0.00 ATOM 223 OD1 ASN 32 -20.463 -6.651 21.818 1.00 0.00 ATOM 224 O ASN 32 -15.620 -4.971 23.946 1.00 0.00 ATOM 225 C ASN 32 -16.085 -4.883 22.802 1.00 0.00 ATOM 226 N ILE 33 -15.890 -3.831 22.023 1.00 0.00 ATOM 227 CA ILE 33 -15.252 -2.600 22.519 1.00 0.00 ATOM 228 CB ILE 33 -13.914 -2.373 21.825 1.00 0.00 ATOM 229 CG1 ILE 33 -12.929 -3.528 22.063 1.00 0.00 ATOM 230 CG2 ILE 33 -13.323 -1.062 22.253 1.00 0.00 ATOM 231 CD1 ILE 33 -11.619 -3.395 21.264 1.00 0.00 ATOM 232 O ILE 33 -16.659 -1.281 21.111 1.00 0.00 ATOM 233 C ILE 33 -16.104 -1.364 22.194 1.00 0.00 ATOM 234 N LYS 34 -16.161 -0.407 23.129 1.00 0.00 ATOM 235 CA LYS 34 -16.953 0.806 23.026 1.00 0.00 ATOM 236 CB LYS 34 -18.313 0.634 23.727 1.00 0.00 ATOM 237 CG LYS 34 -19.277 1.790 23.503 1.00 0.00 ATOM 238 CD LYS 34 -20.548 1.693 24.377 1.00 0.00 ATOM 239 CE LYS 34 -21.697 2.462 23.721 1.00 0.00 ATOM 240 NZ LYS 34 -22.839 2.796 24.645 1.00 0.00 ATOM 241 O LYS 34 -15.626 1.683 24.803 1.00 0.00 ATOM 242 C LYS 34 -16.188 1.916 23.739 1.00 0.00 ATOM 243 N ALA 35 -16.189 3.114 23.175 1.00 0.00 ATOM 244 CA ALA 35 -15.595 4.287 23.821 1.00 0.00 ATOM 245 CB ALA 35 -15.328 5.383 22.775 1.00 0.00 ATOM 246 O ALA 35 -17.753 4.821 24.671 1.00 0.00 ATOM 247 C ALA 35 -16.546 4.795 24.887 1.00 0.00 ATOM 248 N MET 36 -16.013 5.172 26.046 1.00 0.00 ATOM 249 CA MET 36 -16.800 5.716 27.135 1.00 0.00 ATOM 250 CB MET 36 -17.042 4.663 28.209 1.00 0.00 ATOM 251 CG MET 36 -17.934 3.540 27.770 1.00 0.00 ATOM 252 SD MET 36 -18.572 2.587 29.341 1.00 0.00 ATOM 253 CE MET 36 -19.299 0.918 28.472 1.00 0.00 ATOM 254 O MET 36 -14.849 7.056 27.499 1.00 0.00 ATOM 255 C MET 36 -16.046 6.894 27.722 1.00 0.00 ATOM 256 N MET 37 -16.743 7.751 28.446 1.00 0.00 ATOM 257 CA MET 37 -16.127 8.981 28.900 1.00 0.00 ATOM 258 CB MET 37 -17.121 10.125 28.776 1.00 0.00 ATOM 259 CG MET 37 -16.476 11.499 28.777 1.00 0.00 ATOM 260 SD MET 37 -17.599 12.861 29.689 1.00 0.00 ATOM 261 CE MET 37 -16.669 14.497 29.031 1.00 0.00 ATOM 262 O MET 37 -16.426 8.294 31.141 1.00 0.00 ATOM 263 C MET 37 -15.681 8.809 30.342 1.00 0.00 ATOM 264 N ARG 38 -14.480 9.250 30.683 1.00 0.00 ATOM 265 CA ARG 38 -14.008 9.191 32.064 1.00 0.00 ATOM 266 CB ARG 38 -12.488 9.238 32.133 1.00 0.00 ATOM 267 CG ARG 38 -12.006 9.037 33.595 1.00 0.00 ATOM 268 CD ARG 38 -10.511 9.068 33.761 1.00 0.00 ATOM 269 NE ARG 38 -9.925 10.289 33.226 1.00 0.00 ATOM 270 CZ ARG 38 -9.991 11.483 33.798 1.00 0.00 ATOM 271 NH1 ARG 38 -10.602 11.650 34.965 1.00 0.00 ATOM 272 NH2 ARG 38 -9.421 12.517 33.198 1.00 0.00 ATOM 273 O ARG 38 -14.289 11.490 32.553 1.00 0.00 ATOM 274 C ARG 38 -14.558 10.339 32.875 1.00 0.00 ATOM 275 N LEU 39 -15.319 10.039 33.930 1.00 0.00 ATOM 276 CA LEU 39 -15.846 11.078 34.819 1.00 0.00 ATOM 277 CB LEU 39 -17.192 10.648 35.420 1.00 0.00 ATOM 278 CG LEU 39 -18.348 10.439 34.433 1.00 0.00 ATOM 279 CD1 LEU 39 -19.467 9.554 35.055 1.00 0.00 ATOM 280 CD2 LEU 39 -18.871 11.783 33.981 1.00 0.00 ATOM 281 O LEU 39 -14.642 12.570 36.209 1.00 0.00 ATOM 282 C LEU 39 -14.882 11.416 35.938 1.00 0.00 ATOM 283 N LYS 40 -14.346 10.412 36.598 1.00 0.00 ATOM 284 CA LYS 40 -13.489 10.583 37.773 1.00 0.00 ATOM 285 CB LYS 40 -14.368 10.838 39.015 1.00 0.00 ATOM 286 CG LYS 40 -13.713 11.683 40.145 1.00 0.00 ATOM 287 CD LYS 40 -14.528 11.725 41.492 1.00 0.00 ATOM 288 CE LYS 40 -14.182 13.006 42.394 1.00 0.00 ATOM 289 NZ LYS 40 -14.095 12.805 43.928 1.00 0.00 ATOM 290 O LYS 40 -13.044 8.246 37.365 1.00 0.00 ATOM 291 C LYS 40 -12.675 9.278 37.923 1.00 0.00 ATOM 292 N HIS 41 -11.549 9.322 38.628 1.00 0.00 ATOM 293 CA HIS 41 -10.796 8.127 38.953 1.00 0.00 ATOM 294 CB HIS 41 -9.779 7.726 37.859 1.00 0.00 ATOM 295 CG HIS 41 -8.707 8.742 37.644 1.00 0.00 ATOM 296 CD2 HIS 41 -8.763 9.974 37.092 1.00 0.00 ATOM 297 ND1 HIS 41 -7.413 8.579 38.091 1.00 0.00 ATOM 298 CE1 HIS 41 -6.709 9.647 37.775 1.00 0.00 ATOM 299 NE2 HIS 41 -7.509 10.517 37.189 1.00 0.00 ATOM 300 O HIS 41 -9.991 9.519 40.718 1.00 0.00 ATOM 301 C HIS 41 -10.063 8.390 40.251 1.00 0.00 ATOM 302 N ASP 42 -9.566 7.310 40.824 1.00 0.00 ATOM 303 CA ASP 42 -8.652 7.342 41.933 1.00 0.00 ATOM 304 CB ASP 42 -9.347 6.903 43.215 1.00 0.00 ATOM 305 CG ASP 42 -8.553 7.262 44.449 1.00 0.00 ATOM 306 OD1 ASP 42 -7.644 6.494 44.788 1.00 0.00 ATOM 307 OD2 ASP 42 -8.827 8.334 45.053 1.00 0.00 ATOM 308 O ASP 42 -7.590 5.217 41.650 1.00 0.00 ATOM 309 C ASP 42 -7.473 6.429 41.610 1.00 0.00 ATOM 310 N GLY 43 -6.331 7.044 41.308 1.00 0.00 ATOM 311 CA GLY 43 -5.154 6.339 40.799 1.00 0.00 ATOM 312 O GLY 43 -6.189 5.825 38.728 1.00 0.00 ATOM 313 C GLY 43 -5.469 5.439 39.641 1.00 0.00 ATOM 314 N LEU 44 -4.966 4.209 39.740 1.00 0.00 ATOM 315 CA LEU 44 -5.274 3.109 38.819 1.00 0.00 ATOM 316 CB LEU 44 -3.981 2.364 38.478 1.00 0.00 ATOM 317 CG LEU 44 -2.862 3.228 37.901 1.00 0.00 ATOM 318 CD1 LEU 44 -1.563 2.410 37.668 1.00 0.00 ATOM 319 CD2 LEU 44 -3.321 3.853 36.604 1.00 0.00 ATOM 320 O LEU 44 -6.549 1.073 38.713 1.00 0.00 ATOM 321 C LEU 44 -6.296 2.097 39.357 1.00 0.00 ATOM 322 N LYS 45 -6.897 2.366 40.516 1.00 0.00 ATOM 323 CA LYS 45 -7.794 1.394 41.138 1.00 0.00 ATOM 324 CB LYS 45 -7.610 1.398 42.669 1.00 0.00 ATOM 325 CG LYS 45 -8.388 0.304 43.424 1.00 0.00 ATOM 326 CD LYS 45 -8.035 -1.104 42.994 1.00 0.00 ATOM 327 CE LYS 45 -8.632 -2.186 43.912 1.00 0.00 ATOM 328 NZ LYS 45 -8.325 -3.586 43.442 1.00 0.00 ATOM 329 O LYS 45 -9.988 0.659 40.597 1.00 0.00 ATOM 330 C LYS 45 -9.265 1.607 40.768 1.00 0.00 ATOM 331 N LYS 46 -9.731 2.852 40.707 1.00 0.00 ATOM 332 CA LYS 46 -11.149 3.092 40.479 1.00 0.00 ATOM 333 CB LYS 46 -11.841 3.520 41.764 1.00 0.00 ATOM 334 CG LYS 46 -11.791 2.465 42.835 1.00 0.00 ATOM 335 CD LYS 46 -13.039 2.467 43.695 1.00 0.00 ATOM 336 CE LYS 46 -14.080 1.477 43.197 1.00 0.00 ATOM 337 NZ LYS 46 -13.979 0.153 43.920 1.00 0.00 ATOM 338 O LYS 46 -10.636 5.164 39.453 1.00 0.00 ATOM 339 C LYS 46 -11.340 4.137 39.441 1.00 0.00 ATOM 340 N PHE 47 -12.297 3.856 38.551 1.00 0.00 ATOM 341 CA PHE 47 -12.643 4.690 37.405 1.00 0.00 ATOM 342 CB PHE 47 -12.107 4.077 36.130 1.00 0.00 ATOM 343 CG PHE 47 -10.650 4.105 36.061 1.00 0.00 ATOM 344 CD1 PHE 47 -9.894 3.096 36.652 1.00 0.00 ATOM 345 CD2 PHE 47 -10.005 5.166 35.467 1.00 0.00 ATOM 346 CE1 PHE 47 -8.517 3.152 36.631 1.00 0.00 ATOM 347 CE2 PHE 47 -8.637 5.225 35.447 1.00 0.00 ATOM 348 CZ PHE 47 -7.893 4.218 36.022 1.00 0.00 ATOM 349 O PHE 47 -14.829 3.793 37.246 1.00 0.00 ATOM 350 C PHE 47 -14.127 4.797 37.276 1.00 0.00 ATOM 351 N TRP 48 -14.621 6.025 37.241 1.00 0.00 ATOM 352 CA TRP 48 -16.050 6.246 37.008 1.00 0.00 ATOM 353 CB TRP 48 -16.617 7.279 37.996 1.00 0.00 ATOM 354 CG TRP 48 -16.670 6.716 39.385 1.00 0.00 ATOM 355 CD1 TRP 48 -17.681 5.990 39.932 1.00 0.00 ATOM 356 CD2 TRP 48 -15.636 6.780 40.374 1.00 0.00 ATOM 357 CE2 TRP 48 -16.098 6.085 41.517 1.00 0.00 ATOM 358 CE3 TRP 48 -14.359 7.335 40.397 1.00 0.00 ATOM 359 NE1 TRP 48 -17.348 5.604 41.226 1.00 0.00 ATOM 360 CZ2 TRP 48 -15.342 5.977 42.685 1.00 0.00 ATOM 361 CZ3 TRP 48 -13.603 7.232 41.571 1.00 0.00 ATOM 362 CH2 TRP 48 -14.095 6.557 42.691 1.00 0.00 ATOM 363 O TRP 48 -15.550 7.613 35.134 1.00 0.00 ATOM 364 C TRP 48 -16.226 6.681 35.576 1.00 0.00 ATOM 365 N LEU 49 -17.116 5.990 34.864 1.00 0.00 ATOM 366 CA LEU 49 -17.282 6.164 33.438 1.00 0.00 ATOM 367 CB LEU 49 -16.948 4.869 32.692 1.00 0.00 ATOM 368 CG LEU 49 -15.589 4.222 33.011 1.00 0.00 ATOM 369 CD1 LEU 49 -15.479 2.864 32.412 1.00 0.00 ATOM 370 CD2 LEU 49 -14.496 5.120 32.536 1.00 0.00 ATOM 371 O LEU 49 -19.585 6.127 33.878 1.00 0.00 ATOM 372 C LEU 49 -18.710 6.501 33.143 1.00 0.00 ATOM 373 N SER 50 -18.957 7.220 32.064 1.00 0.00 ATOM 374 CA SER 50 -20.326 7.338 31.579 1.00 0.00 ATOM 375 CB SER 50 -20.850 8.750 31.698 1.00 0.00 ATOM 376 OG SER 50 -20.152 9.550 30.773 1.00 0.00 ATOM 377 O SER 50 -19.447 6.988 29.393 1.00 0.00 ATOM 378 C SER 50 -20.418 6.923 30.145 1.00 0.00 ATOM 379 N THR 51 -21.612 6.485 29.782 1.00 0.00 ATOM 380 CA THR 51 -21.938 6.133 28.441 1.00 0.00 ATOM 381 CB THR 51 -21.479 4.687 28.151 1.00 0.00 ATOM 382 CG2 THR 51 -22.302 3.713 28.912 1.00 0.00 ATOM 383 OG1 THR 51 -21.579 4.419 26.754 1.00 0.00 ATOM 384 O THR 51 -24.171 6.580 29.292 1.00 0.00 ATOM 385 C THR 51 -23.460 6.296 28.315 1.00 0.00 ATOM 386 N ASN 52 -23.973 6.147 27.113 1.00 0.00 ATOM 387 CA ASN 52 -25.391 6.324 26.922 1.00 0.00 ATOM 388 CB ASN 52 -25.693 6.610 25.458 1.00 0.00 ATOM 389 CG ASN 52 -25.364 5.437 24.579 1.00 0.00 ATOM 390 ND2 ASN 52 -26.393 4.699 24.167 1.00 0.00 ATOM 391 OD1 ASN 52 -24.191 5.157 24.326 1.00 0.00 ATOM 392 O ASN 52 -25.597 3.979 27.250 1.00 0.00 ATOM 393 C ASN 52 -26.091 5.082 27.427 1.00 0.00 ATOM 394 N THR 53 -27.228 5.290 28.081 1.00 0.00 ATOM 395 CA THR 53 -28.134 4.234 28.484 1.00 0.00 ATOM 396 CB THR 53 -29.396 4.861 29.030 1.00 0.00 ATOM 397 CG2 THR 53 -30.308 3.818 29.678 1.00 0.00 ATOM 398 OG1 THR 53 -29.020 5.844 29.993 1.00 0.00 ATOM 399 O THR 53 -28.772 3.694 26.237 1.00 0.00 ATOM 400 C THR 53 -28.488 3.271 27.344 1.00 0.00 ATOM 401 N SER 54 -28.426 1.980 27.637 1.00 0.00 ATOM 402 CA SER 54 -28.596 0.918 26.650 1.00 0.00 ATOM 403 CB SER 54 -27.299 0.653 25.865 1.00 0.00 ATOM 404 OG SER 54 -27.302 -0.624 25.247 1.00 0.00 ATOM 405 O SER 54 -28.261 -0.797 28.274 1.00 0.00 ATOM 406 C SER 54 -28.997 -0.330 27.402 1.00 0.00 ATOM 407 N THR 55 -30.173 -0.861 27.080 1.00 0.00 ATOM 408 CA THR 55 -30.693 -2.027 27.786 1.00 0.00 ATOM 409 CB THR 55 -32.199 -2.236 27.476 1.00 0.00 ATOM 410 CG2 THR 55 -33.023 -1.086 28.010 1.00 0.00 ATOM 411 OG1 THR 55 -32.387 -2.327 26.063 1.00 0.00 ATOM 412 O THR 55 -29.785 -4.214 28.253 1.00 0.00 ATOM 413 C THR 55 -29.906 -3.298 27.442 1.00 0.00 ATOM 414 N ARG 56 -29.398 -3.345 26.221 1.00 0.00 ATOM 415 CA ARG 56 -28.539 -4.428 25.768 1.00 0.00 ATOM 416 CB ARG 56 -28.236 -4.197 24.283 1.00 0.00 ATOM 417 CG ARG 56 -27.152 -5.013 23.643 1.00 0.00 ATOM 418 CD ARG 56 -27.091 -4.694 22.129 1.00 0.00 ATOM 419 NE ARG 56 -28.244 -5.236 21.403 1.00 0.00 ATOM 420 O ARG 56 -26.848 -5.579 27.045 1.00 0.00 ATOM 421 C ARG 56 -27.257 -4.508 26.613 1.00 0.00 ATOM 422 N MET 57 -26.637 -3.369 26.847 1.00 0.00 ATOM 423 CA MET 57 -25.442 -3.301 27.690 1.00 0.00 ATOM 424 CB MET 57 -24.789 -1.921 27.522 1.00 0.00 ATOM 425 CG MET 57 -23.588 -1.614 28.418 1.00 0.00 ATOM 426 SD MET 57 -22.056 -2.695 27.909 1.00 0.00 ATOM 427 CE MET 57 -21.286 -1.534 26.519 1.00 0.00 ATOM 428 O MET 57 -24.953 -4.209 29.843 1.00 0.00 ATOM 429 C MET 57 -25.752 -3.591 29.169 1.00 0.00 ATOM 430 N VAL 58 -26.896 -3.134 29.677 1.00 0.00 ATOM 431 CA VAL 58 -27.282 -3.415 31.056 1.00 0.00 ATOM 432 CB VAL 58 -28.630 -2.676 31.481 1.00 0.00 ATOM 433 CG1 VAL 58 -29.119 -3.138 32.853 1.00 0.00 ATOM 434 CG2 VAL 58 -28.490 -1.154 31.453 1.00 0.00 ATOM 435 O VAL 58 -26.921 -5.504 32.180 1.00 0.00 ATOM 436 C VAL 58 -27.425 -4.946 31.222 1.00 0.00 ATOM 437 N GLU 59 -28.089 -5.620 30.288 1.00 0.00 ATOM 438 CA GLU 59 -28.249 -7.081 30.398 1.00 0.00 ATOM 439 CB GLU 59 -29.255 -7.641 29.374 1.00 0.00 ATOM 440 CG GLU 59 -30.762 -7.233 29.583 1.00 0.00 ATOM 441 CD GLU 59 -31.158 -6.800 31.032 1.00 0.00 ATOM 442 OE1 GLU 59 -31.141 -7.655 31.956 1.00 0.00 ATOM 443 OE2 GLU 59 -31.515 -5.603 31.234 1.00 0.00 ATOM 444 O GLU 59 -26.698 -8.807 30.974 1.00 0.00 ATOM 445 C GLU 59 -26.932 -7.830 30.267 1.00 0.00 ATOM 446 N ARG 60 -26.100 -7.390 29.333 1.00 0.00 ATOM 447 CA ARG 60 -24.758 -7.902 29.179 1.00 0.00 ATOM 448 CB ARG 60 -23.966 -7.080 28.146 1.00 0.00 ATOM 449 CG ARG 60 -22.523 -7.634 27.915 1.00 0.00 ATOM 450 CD ARG 60 -21.709 -6.847 26.892 1.00 0.00 ATOM 451 NE ARG 60 -22.408 -6.844 25.620 1.00 0.00 ATOM 452 CZ ARG 60 -22.222 -5.938 24.668 1.00 0.00 ATOM 453 NH1 ARG 60 -21.312 -4.977 24.807 1.00 0.00 ATOM 454 NH2 ARG 60 -22.953 -5.995 23.564 1.00 0.00 ATOM 455 O ARG 60 -23.532 -8.850 30.995 1.00 0.00 ATOM 456 C ARG 60 -24.022 -7.841 30.505 1.00 0.00 ATOM 457 N LEU 61 -23.938 -6.650 31.083 1.00 0.00 ATOM 458 CA LEU 61 -23.108 -6.483 32.253 1.00 0.00 ATOM 459 CB LEU 61 -22.891 -5.006 32.537 1.00 0.00 ATOM 460 CG LEU 61 -22.050 -4.297 31.491 1.00 0.00 ATOM 461 CD1 LEU 61 -21.964 -2.828 31.876 1.00 0.00 ATOM 462 CD2 LEU 61 -20.622 -4.906 31.357 1.00 0.00 ATOM 463 O LEU 61 -22.835 -7.468 34.385 1.00 0.00 ATOM 464 C LEU 61 -23.628 -7.170 33.497 1.00 0.00 ATOM 465 N LYS 62 -24.937 -7.450 33.553 1.00 0.00 ATOM 466 CA LYS 62 -25.518 -8.209 34.663 1.00 0.00 ATOM 467 CB LYS 62 -27.026 -7.966 34.763 1.00 0.00 ATOM 468 CG LYS 62 -27.861 -8.794 33.803 1.00 0.00 ATOM 469 O LYS 62 -25.063 -10.387 35.535 1.00 0.00 ATOM 470 C LYS 62 -25.223 -9.696 34.530 1.00 0.00 ATOM 471 N LYS 63 -25.147 -10.193 33.295 1.00 0.00 ATOM 472 CA LYS 63 -24.679 -11.559 33.063 1.00 0.00 ATOM 473 CB LYS 63 -24.959 -11.996 31.608 1.00 0.00 ATOM 474 CG LYS 63 -26.444 -12.278 31.278 1.00 0.00 ATOM 475 CD LYS 63 -26.711 -12.392 29.757 1.00 0.00 ATOM 476 O LYS 63 -22.722 -12.662 33.901 1.00 0.00 ATOM 477 C LYS 63 -23.177 -11.684 33.337 1.00 0.00 ATOM 478 N ASN 64 -22.394 -10.709 32.895 1.00 0.00 ATOM 479 CA ASN 64 -20.941 -10.823 32.937 1.00 0.00 ATOM 480 CB ASN 64 -20.474 -11.528 31.669 1.00 0.00 ATOM 481 CG ASN 64 -19.036 -11.976 31.724 1.00 0.00 ATOM 482 ND2 ASN 64 -18.744 -13.072 31.041 1.00 0.00 ATOM 483 OD1 ASN 64 -18.183 -11.318 32.306 1.00 0.00 ATOM 484 O ASN 64 -20.299 -8.673 32.127 1.00 0.00 ATOM 485 C ASN 64 -20.327 -9.450 33.083 1.00 0.00 ATOM 486 N ASN 65 -19.869 -9.127 34.295 1.00 0.00 ATOM 487 CA ASN 65 -19.302 -7.796 34.576 1.00 0.00 ATOM 488 CB ASN 65 -19.789 -7.258 35.941 1.00 0.00 ATOM 489 CG ASN 65 -19.215 -8.021 37.115 1.00 0.00 ATOM 490 ND2 ASN 65 -19.189 -7.393 38.269 1.00 0.00 ATOM 491 OD1 ASN 65 -18.785 -9.149 36.977 1.00 0.00 ATOM 492 O ASN 65 -17.177 -6.755 34.932 1.00 0.00 ATOM 493 C ASN 65 -17.772 -7.735 34.499 1.00 0.00 ATOM 494 N LYS 66 -17.131 -8.763 33.935 1.00 0.00 ATOM 495 CA LYS 66 -15.676 -8.709 33.701 1.00 0.00 ATOM 496 CB LYS 66 -15.123 -10.100 33.554 1.00 0.00 ATOM 497 CG LYS 66 -15.140 -10.877 34.846 1.00 0.00 ATOM 498 CD LYS 66 -14.477 -12.209 34.663 1.00 0.00 ATOM 499 CE LYS 66 -14.561 -13.043 35.911 1.00 0.00 ATOM 500 NZ LYS 66 -13.884 -14.382 35.679 1.00 0.00 ATOM 501 O LYS 66 -15.831 -8.267 31.359 1.00 0.00 ATOM 502 C LYS 66 -15.343 -7.920 32.446 1.00 0.00 ATOM 503 N ILE 67 -14.513 -6.887 32.607 1.00 0.00 ATOM 504 CA ILE 67 -14.193 -5.930 31.539 1.00 0.00 ATOM 505 CB ILE 67 -15.038 -4.645 31.631 1.00 0.00 ATOM 506 CG1 ILE 67 -14.652 -3.766 32.800 1.00 0.00 ATOM 507 CG2 ILE 67 -16.528 -4.926 31.746 1.00 0.00 ATOM 508 CD1 ILE 67 -14.960 -2.337 32.436 1.00 0.00 ATOM 509 O ILE 67 -11.986 -5.957 32.491 1.00 0.00 ATOM 510 C ILE 67 -12.727 -5.543 31.581 1.00 0.00 ATOM 511 N CYS 68 -12.300 -4.805 30.568 1.00 0.00 ATOM 512 CA CYS 68 -11.003 -4.119 30.596 1.00 0.00 ATOM 513 CB CYS 68 -9.985 -4.895 29.805 1.00 0.00 ATOM 514 SG CYS 68 -10.290 -4.834 28.062 1.00 0.00 ATOM 515 O CYS 68 -12.147 -2.412 29.418 1.00 0.00 ATOM 516 C CYS 68 -11.162 -2.711 30.081 1.00 0.00 ATOM 517 N LEU 69 -10.252 -1.829 30.508 1.00 0.00 ATOM 518 CA LEU 69 -10.100 -0.476 30.017 1.00 0.00 ATOM 519 CB LEU 69 -10.035 0.533 31.192 1.00 0.00 ATOM 520 CG LEU 69 -11.330 1.165 31.683 1.00 0.00 ATOM 521 CD1 LEU 69 -12.323 0.094 31.995 1.00 0.00 ATOM 522 CD2 LEU 69 -11.116 2.146 32.886 1.00 0.00 ATOM 523 O LEU 69 -7.800 -0.955 29.693 1.00 0.00 ATOM 524 C LEU 69 -8.796 -0.394 29.259 1.00 0.00 ATOM 525 N TYR 70 -8.758 0.355 28.169 1.00 0.00 ATOM 526 CA TYR 70 -7.510 0.588 27.486 1.00 0.00 ATOM 527 CB TYR 70 -7.495 -0.133 26.147 1.00 0.00 ATOM 528 CG TYR 70 -6.135 -0.117 25.468 1.00 0.00 ATOM 529 CD1 TYR 70 -5.201 -1.100 25.751 1.00 0.00 ATOM 530 CD2 TYR 70 -5.817 0.815 24.513 1.00 0.00 ATOM 531 CE1 TYR 70 -3.981 -1.115 25.145 1.00 0.00 ATOM 532 CE2 TYR 70 -4.567 0.820 23.909 1.00 0.00 ATOM 533 CZ TYR 70 -3.667 -0.168 24.217 1.00 0.00 ATOM 534 OH TYR 70 -2.417 -0.198 23.628 1.00 0.00 ATOM 535 O TYR 70 -8.263 2.709 26.736 1.00 0.00 ATOM 536 C TYR 70 -7.349 2.083 27.239 1.00 0.00 ATOM 537 N PHE 71 -6.181 2.595 27.596 1.00 0.00 ATOM 538 CA PHE 71 -5.811 4.013 27.453 1.00 0.00 ATOM 539 CB PHE 71 -5.287 4.547 28.779 1.00 0.00 ATOM 540 CG PHE 71 -6.305 4.526 29.878 1.00 0.00 ATOM 541 CD1 PHE 71 -6.434 3.420 30.681 1.00 0.00 ATOM 542 CD2 PHE 71 -7.116 5.628 30.111 1.00 0.00 ATOM 543 CE1 PHE 71 -7.359 3.381 31.696 1.00 0.00 ATOM 544 CE2 PHE 71 -8.042 5.614 31.125 1.00 0.00 ATOM 545 CZ PHE 71 -8.172 4.489 31.926 1.00 0.00 ATOM 546 O PHE 71 -3.629 3.518 26.569 1.00 0.00 ATOM 547 C PHE 71 -4.732 4.073 26.407 1.00 0.00 ATOM 548 N VAL 72 -5.079 4.691 25.300 1.00 0.00 ATOM 549 CA VAL 72 -4.165 4.928 24.199 1.00 0.00 ATOM 550 CB VAL 72 -4.971 5.266 22.915 1.00 0.00 ATOM 551 CG1 VAL 72 -4.058 5.610 21.750 1.00 0.00 ATOM 552 CG2 VAL 72 -5.894 4.085 22.540 1.00 0.00 ATOM 553 O VAL 72 -3.608 7.180 24.866 1.00 0.00 ATOM 554 C VAL 72 -3.200 6.083 24.485 1.00 0.00 ATOM 555 N ASP 73 -1.913 5.845 24.262 1.00 0.00 ATOM 556 CA ASP 73 -0.934 6.917 24.244 1.00 0.00 ATOM 557 CB ASP 73 0.456 6.388 24.565 1.00 0.00 ATOM 558 CG ASP 73 1.412 7.495 24.940 1.00 0.00 ATOM 559 OD1 ASP 73 1.328 8.568 24.311 1.00 0.00 ATOM 560 OD2 ASP 73 2.236 7.306 25.859 1.00 0.00 ATOM 561 O ASP 73 -0.782 6.908 21.841 1.00 0.00 ATOM 562 C ASP 73 -0.949 7.584 22.857 1.00 0.00 ATOM 563 N ASP 74 -1.170 8.898 22.826 1.00 0.00 ATOM 564 CA ASP 74 -1.408 9.628 21.575 1.00 0.00 ATOM 565 CB ASP 74 -2.300 10.856 21.834 1.00 0.00 ATOM 566 CG ASP 74 -3.793 10.576 21.662 1.00 0.00 ATOM 567 OD1 ASP 74 -4.234 9.404 21.655 1.00 0.00 ATOM 568 OD2 ASP 74 -4.541 11.569 21.535 1.00 0.00 ATOM 569 O ASP 74 -0.150 10.661 19.806 1.00 0.00 ATOM 570 C ASP 74 -0.116 10.116 20.920 1.00 0.00 ATOM 571 N ASN 75 1.013 9.957 21.612 1.00 0.00 ATOM 572 CA ASN 75 2.284 10.486 21.124 1.00 0.00 ATOM 573 CB ASN 75 2.812 11.540 22.102 1.00 0.00 ATOM 574 CG ASN 75 1.732 12.530 22.523 1.00 0.00 ATOM 575 ND2 ASN 75 1.563 12.686 23.834 1.00 0.00 ATOM 576 OD1 ASN 75 1.044 13.134 21.678 1.00 0.00 ATOM 577 O ASN 75 4.440 9.748 20.435 1.00 0.00 ATOM 578 C ASN 75 3.341 9.421 20.876 1.00 0.00 ATOM 579 N LYS 76 3.020 8.160 21.148 1.00 0.00 ATOM 580 CA LYS 76 3.957 7.063 20.911 1.00 0.00 ATOM 581 CB LYS 76 5.115 7.092 21.917 1.00 0.00 ATOM 582 CG LYS 76 4.710 7.026 23.365 1.00 0.00 ATOM 583 CD LYS 76 5.899 7.308 24.261 1.00 0.00 ATOM 584 CE LYS 76 5.533 7.237 25.737 1.00 0.00 ATOM 585 NZ LYS 76 4.563 8.288 26.139 1.00 0.00 ATOM 586 O LYS 76 2.133 5.651 21.519 1.00 0.00 ATOM 587 C LYS 76 3.242 5.731 20.983 1.00 0.00 ATOM 588 N PHE 77 3.860 4.691 20.432 1.00 0.00 ATOM 589 CA PHE 77 3.216 3.381 20.395 1.00 0.00 ATOM 590 CB PHE 77 3.823 2.475 19.326 1.00 0.00 ATOM 591 CG PHE 77 2.978 1.278 19.007 1.00 0.00 ATOM 592 CD1 PHE 77 1.689 1.433 18.519 1.00 0.00 ATOM 593 CD2 PHE 77 3.465 -0.004 19.177 1.00 0.00 ATOM 594 CE1 PHE 77 0.889 0.311 18.206 1.00 0.00 ATOM 595 CE2 PHE 77 2.669 -1.121 18.876 1.00 0.00 ATOM 596 CZ PHE 77 1.381 -0.950 18.384 1.00 0.00 ATOM 597 O PHE 77 4.244 2.058 22.149 1.00 0.00 ATOM 598 C PHE 77 3.281 2.738 21.792 1.00 0.00 ATOM 599 N ALA 78 2.238 2.993 22.579 1.00 0.00 ATOM 600 CA ALA 78 2.192 2.570 23.967 1.00 0.00 ATOM 601 CB ALA 78 3.223 3.363 24.801 1.00 0.00 ATOM 602 O ALA 78 -0.032 3.530 24.029 1.00 0.00 ATOM 603 C ALA 78 0.788 2.748 24.524 1.00 0.00 ATOM 604 N GLY 79 0.491 1.992 25.551 1.00 0.00 ATOM 605 CA GLY 79 -0.823 2.078 26.161 1.00 0.00 ATOM 606 O GLY 79 -0.014 0.557 27.807 1.00 0.00 ATOM 607 C GLY 79 -0.923 1.313 27.453 1.00 0.00 ATOM 608 N LEU 80 -2.029 1.536 28.154 1.00 0.00 ATOM 609 CA LEU 80 -2.279 0.894 29.448 1.00 0.00 ATOM 610 CB LEU 80 -2.329 1.953 30.539 1.00 0.00 ATOM 611 CG LEU 80 -2.711 1.483 31.945 1.00 0.00 ATOM 612 CD1 LEU 80 -1.669 0.591 32.522 1.00 0.00 ATOM 613 CD2 LEU 80 -2.965 2.724 32.810 1.00 0.00 ATOM 614 O LEU 80 -4.577 0.708 28.953 1.00 0.00 ATOM 615 C LEU 80 -3.579 0.171 29.391 1.00 0.00 ATOM 616 N MET 81 -3.567 -1.072 29.823 1.00 0.00 ATOM 617 CA MET 81 -4.749 -1.858 29.884 1.00 0.00 ATOM 618 CB MET 81 -4.543 -3.170 29.136 1.00 0.00 ATOM 619 CG MET 81 -5.799 -3.709 28.580 1.00 0.00 ATOM 620 SD MET 81 -6.018 -5.553 28.966 1.00 0.00 ATOM 621 CE MET 81 -4.298 -6.328 28.623 1.00 0.00 ATOM 622 O MET 81 -4.090 -2.649 32.012 1.00 0.00 ATOM 623 C MET 81 -4.993 -2.176 31.336 1.00 0.00 ATOM 624 N LEU 82 -6.194 -1.903 31.815 1.00 0.00 ATOM 625 CA LEU 82 -6.606 -2.378 33.137 1.00 0.00 ATOM 626 CB LEU 82 -7.044 -1.219 34.014 1.00 0.00 ATOM 627 CG LEU 82 -6.087 -0.022 34.140 1.00 0.00 ATOM 628 CD1 LEU 82 -6.799 1.122 34.878 1.00 0.00 ATOM 629 CD2 LEU 82 -4.771 -0.342 34.867 1.00 0.00 ATOM 630 O LEU 82 -8.585 -3.308 32.146 1.00 0.00 ATOM 631 C LEU 82 -7.709 -3.403 32.998 1.00 0.00 ATOM 632 N VAL 83 -7.653 -4.402 33.856 1.00 0.00 ATOM 633 CA VAL 83 -8.633 -5.450 33.867 1.00 0.00 ATOM 634 CB VAL 83 -7.931 -6.768 33.558 1.00 0.00 ATOM 635 CG1 VAL 83 -8.829 -7.907 33.818 1.00 0.00 ATOM 636 CG2 VAL 83 -7.433 -6.775 32.092 1.00 0.00 ATOM 637 O VAL 83 -8.625 -5.356 36.243 1.00 0.00 ATOM 638 C VAL 83 -9.289 -5.498 35.239 1.00 0.00 ATOM 639 N GLY 84 -10.597 -5.719 35.269 1.00 0.00 ATOM 640 CA GLY 84 -11.367 -5.869 36.533 1.00 0.00 ATOM 641 O GLY 84 -13.260 -6.552 35.215 1.00 0.00 ATOM 642 C GLY 84 -12.859 -6.023 36.257 1.00 0.00 ATOM 643 N THR 85 -13.684 -5.538 37.173 1.00 0.00 ATOM 644 CA THR 85 -15.129 -5.666 37.081 1.00 0.00 ATOM 645 CB THR 85 -15.649 -6.519 38.199 1.00 0.00 ATOM 646 CG2 THR 85 -15.038 -7.889 38.126 1.00 0.00 ATOM 647 OG1 THR 85 -15.314 -5.911 39.451 1.00 0.00 ATOM 648 O THR 85 -15.248 -3.339 37.643 1.00 0.00 ATOM 649 C THR 85 -15.810 -4.294 37.133 1.00 0.00 ATOM 650 N ILE 86 -17.022 -4.212 36.588 1.00 0.00 ATOM 651 CA ILE 86 -17.728 -2.941 36.490 1.00 0.00 ATOM 652 CB ILE 86 -17.810 -2.492 35.040 1.00 0.00 ATOM 653 CG1 ILE 86 -18.049 -0.979 34.943 1.00 0.00 ATOM 654 CG2 ILE 86 -18.886 -3.227 34.247 1.00 0.00 ATOM 655 CD1 ILE 86 -17.717 -0.406 33.546 1.00 0.00 ATOM 656 O ILE 86 -19.677 -4.146 37.128 1.00 0.00 ATOM 657 C ILE 86 -19.103 -3.063 37.125 1.00 0.00 ATOM 658 N GLU 87 -19.648 -1.953 37.626 1.00 0.00 ATOM 659 CA GLU 87 -21.008 -1.951 38.170 1.00 0.00 ATOM 660 CB GLU 87 -20.996 -2.045 39.708 1.00 0.00 ATOM 661 CG GLU 87 -20.835 -0.693 40.389 1.00 0.00 ATOM 662 CD GLU 87 -20.566 -0.755 41.914 1.00 0.00 ATOM 663 OE1 GLU 87 -21.571 -0.910 42.682 1.00 0.00 ATOM 664 OE2 GLU 87 -19.353 -0.610 42.312 1.00 0.00 ATOM 665 O GLU 87 -21.136 0.391 37.713 1.00 0.00 ATOM 666 C GLU 87 -21.714 -0.690 37.702 1.00 0.00 ATOM 667 N ILE 88 -22.963 -0.845 37.259 1.00 0.00 ATOM 668 CA ILE 88 -23.770 0.278 36.869 1.00 0.00 ATOM 669 CB ILE 88 -24.932 -0.150 35.947 1.00 0.00 ATOM 670 CG1 ILE 88 -24.384 -0.716 34.633 1.00 0.00 ATOM 671 CG2 ILE 88 -25.767 1.039 35.594 1.00 0.00 ATOM 672 CD1 ILE 88 -25.302 -1.734 33.976 1.00 0.00 ATOM 673 O ILE 88 -24.792 0.269 39.036 1.00 0.00 ATOM 674 C ILE 88 -24.313 0.952 38.135 1.00 0.00 ATOM 675 N LEU 89 -24.212 2.279 38.176 1.00 0.00 ATOM 676 CA LEU 89 -24.704 3.082 39.288 1.00 0.00 ATOM 677 CB LEU 89 -23.714 4.189 39.636 1.00 0.00 ATOM 678 CG LEU 89 -22.265 3.778 39.950 1.00 0.00 ATOM 679 CD1 LEU 89 -21.342 4.937 40.238 1.00 0.00 ATOM 680 CD2 LEU 89 -22.212 2.779 41.088 1.00 0.00 ATOM 681 O LEU 89 -26.132 4.685 38.200 1.00 0.00 ATOM 682 C LEU 89 -26.058 3.648 38.866 1.00 0.00 ATOM 683 N HIS 90 -27.126 2.934 39.215 1.00 0.00 ATOM 684 CA HIS 90 -28.473 3.304 38.796 1.00 0.00 ATOM 685 CB HIS 90 -29.400 2.107 38.958 1.00 0.00 ATOM 686 CG HIS 90 -29.119 0.989 38.005 1.00 0.00 ATOM 687 CD2 HIS 90 -28.651 -0.267 38.221 1.00 0.00 ATOM 688 ND1 HIS 90 -29.321 1.098 36.643 1.00 0.00 ATOM 689 CE1 HIS 90 -29.004 -0.046 36.063 1.00 0.00 ATOM 690 NE2 HIS 90 -28.597 -0.892 36.999 1.00 0.00 ATOM 691 O HIS 90 -30.009 5.111 39.164 1.00 0.00 ATOM 692 C HIS 90 -29.051 4.472 39.590 1.00 0.00 ATOM 693 N ASP 91 -28.457 4.740 40.754 1.00 0.00 ATOM 694 CA ASP 91 -29.012 5.703 41.713 1.00 0.00 ATOM 695 CB ASP 91 -28.546 5.326 43.146 1.00 0.00 ATOM 696 CG ASP 91 -27.027 5.320 43.287 1.00 0.00 ATOM 697 OD1 ASP 91 -26.335 4.402 42.755 1.00 0.00 ATOM 698 OD2 ASP 91 -26.514 6.248 43.921 1.00 0.00 ATOM 699 O ASP 91 -27.519 7.466 40.999 1.00 0.00 ATOM 700 C ASP 91 -28.663 7.146 41.370 1.00 0.00 ATOM 701 N ARG 92 -29.653 8.028 41.509 1.00 0.00 ATOM 702 CA ARG 92 -29.465 9.428 41.223 1.00 0.00 ATOM 703 CB ARG 92 -30.764 10.221 41.363 1.00 0.00 ATOM 704 CG ARG 92 -30.717 11.595 40.715 1.00 0.00 ATOM 705 CD ARG 92 -31.921 12.418 41.069 1.00 0.00 ATOM 706 NE ARG 92 -31.959 13.648 40.315 1.00 0.00 ATOM 707 CZ ARG 92 -31.222 14.721 40.584 1.00 0.00 ATOM 708 NH1 ARG 92 -30.377 14.741 41.606 1.00 0.00 ATOM 709 NH2 ARG 92 -31.310 15.777 39.804 1.00 0.00 ATOM 710 O ARG 92 -27.652 10.896 41.665 1.00 0.00 ATOM 711 C ARG 92 -28.394 10.048 42.113 1.00 0.00 ATOM 712 N ALA 93 -28.318 9.655 43.371 1.00 0.00 ATOM 713 CA ALA 93 -27.291 10.214 44.254 1.00 0.00 ATOM 714 CB ALA 93 -27.363 9.515 45.637 1.00 0.00 ATOM 715 O ALA 93 -25.136 11.091 43.565 1.00 0.00 ATOM 716 C ALA 93 -25.865 10.103 43.628 1.00 0.00 ATOM 717 N SER 94 -25.483 8.898 43.166 1.00 0.00 ATOM 718 CA SER 94 -24.190 8.652 42.535 1.00 0.00 ATOM 719 CB SER 94 -24.019 7.157 42.200 1.00 0.00 ATOM 720 OG SER 94 -24.021 6.360 43.381 1.00 0.00 ATOM 721 O SER 94 -22.954 10.096 41.067 1.00 0.00 ATOM 722 C SER 94 -24.014 9.482 41.271 1.00 0.00 ATOM 723 N LYS 95 -25.073 9.559 40.457 1.00 0.00 ATOM 724 CA LYS 95 -25.026 10.298 39.204 1.00 0.00 ATOM 725 CB LYS 95 -26.294 10.023 38.382 1.00 0.00 ATOM 726 CG LYS 95 -26.409 8.564 37.972 1.00 0.00 ATOM 727 CD LYS 95 -27.819 8.153 37.581 1.00 0.00 ATOM 728 CE LYS 95 -28.182 8.701 36.253 1.00 0.00 ATOM 729 NZ LYS 95 -29.547 8.263 35.850 1.00 0.00 ATOM 730 O LYS 95 -24.193 12.470 38.641 1.00 0.00 ATOM 731 C LYS 95 -24.853 11.781 39.425 1.00 0.00 ATOM 732 N GLU 96 -25.457 12.276 40.498 1.00 0.00 ATOM 733 CA GLU 96 -25.275 13.650 40.877 1.00 0.00 ATOM 734 CB GLU 96 -26.234 13.994 42.003 1.00 0.00 ATOM 735 CG GLU 96 -26.129 15.410 42.442 1.00 0.00 ATOM 736 CD GLU 96 -27.189 15.810 43.472 1.00 0.00 ATOM 737 OE1 GLU 96 -27.677 14.950 44.257 1.00 0.00 ATOM 738 OE2 GLU 96 -27.514 17.011 43.488 1.00 0.00 ATOM 739 O GLU 96 -23.215 14.883 40.918 1.00 0.00 ATOM 740 C GLU 96 -23.823 13.893 41.313 1.00 0.00 ATOM 741 N MET 97 -23.268 12.982 42.114 1.00 0.00 ATOM 742 CA MET 97 -21.916 13.151 42.614 1.00 0.00 ATOM 743 CB MET 97 -21.599 12.073 43.638 1.00 0.00 ATOM 744 CG MET 97 -22.295 12.335 44.897 1.00 0.00 ATOM 745 SD MET 97 -21.724 11.185 46.360 1.00 0.00 ATOM 746 CE MET 97 -22.201 9.391 45.667 1.00 0.00 ATOM 747 O MET 97 -19.818 13.790 41.602 1.00 0.00 ATOM 748 C MET 97 -20.854 13.097 41.527 1.00 0.00 ATOM 749 N LEU 98 -21.098 12.247 40.536 1.00 0.00 ATOM 750 CA LEU 98 -20.142 12.043 39.459 1.00 0.00 ATOM 751 CB LEU 98 -20.303 10.642 38.871 1.00 0.00 ATOM 752 CG LEU 98 -19.840 9.575 39.831 1.00 0.00 ATOM 753 CD1 LEU 98 -20.386 8.180 39.491 1.00 0.00 ATOM 754 CD2 LEU 98 -18.258 9.627 39.907 1.00 0.00 ATOM 755 O LEU 98 -19.431 13.094 37.446 1.00 0.00 ATOM 756 C LEU 98 -20.270 13.055 38.320 1.00 0.00 ATOM 757 N TRP 99 -21.331 13.832 38.312 1.00 0.00 ATOM 758 CA TRP 99 -21.553 14.801 37.249 1.00 0.00 ATOM 759 CB TRP 99 -22.928 15.440 37.409 1.00 0.00 ATOM 760 CG TRP 99 -23.263 16.486 36.370 1.00 0.00 ATOM 761 CD1 TRP 99 -22.999 17.806 36.424 1.00 0.00 ATOM 762 CD2 TRP 99 -23.935 16.256 35.144 1.00 0.00 ATOM 763 CE2 TRP 99 -24.051 17.494 34.490 1.00 0.00 ATOM 764 CE3 TRP 99 -24.451 15.121 34.530 1.00 0.00 ATOM 765 NE1 TRP 99 -23.469 18.438 35.295 1.00 0.00 ATOM 766 CZ2 TRP 99 -24.673 17.623 33.254 1.00 0.00 ATOM 767 CZ3 TRP 99 -25.081 15.249 33.304 1.00 0.00 ATOM 768 CH2 TRP 99 -25.169 16.484 32.673 1.00 0.00 ATOM 769 O TRP 99 -20.218 16.514 38.232 1.00 0.00 ATOM 770 C TRP 99 -20.484 15.873 37.222 1.00 0.00 ATOM 771 N THR 100 -19.924 16.070 36.029 1.00 0.00 ATOM 772 CA THR 100 -18.842 16.997 35.769 1.00 0.00 ATOM 773 CB THR 100 -17.614 16.282 35.140 1.00 0.00 ATOM 774 CG2 THR 100 -17.228 14.986 35.856 1.00 0.00 ATOM 775 OG1 THR 100 -17.922 15.940 33.781 1.00 0.00 ATOM 776 O THR 100 -20.054 17.549 33.792 1.00 0.00 ATOM 777 C THR 100 -19.334 17.955 34.698 1.00 0.00 ATOM 778 N ASP 101 -18.956 19.224 34.796 1.00 0.00 ATOM 779 CA ASP 101 -19.048 20.137 33.646 1.00 0.00 ATOM 780 CB ASP 101 -18.430 21.507 33.983 1.00 0.00 ATOM 781 CG ASP 101 -19.292 22.328 34.922 1.00 0.00 ATOM 782 OD1 ASP 101 -20.478 21.954 35.113 1.00 0.00 ATOM 783 OD2 ASP 101 -18.773 23.340 35.472 1.00 0.00 ATOM 784 O ASP 101 -17.175 19.056 32.550 1.00 0.00 ATOM 785 C ASP 101 -18.337 19.474 32.445 1.00 0.00 ATOM 786 N GLY 102 -19.050 19.352 31.324 1.00 0.00 ATOM 787 CA GLY 102 -18.613 18.506 30.213 1.00 0.00 ATOM 788 O GLY 102 -19.858 17.078 28.730 1.00 0.00 ATOM 789 C GLY 102 -19.674 17.469 29.884 1.00 0.00 ATOM 790 N CYS 103 -20.368 17.005 30.916 1.00 0.00 ATOM 791 CA CYS 103 -21.458 16.080 30.736 1.00 0.00 ATOM 792 CB CYS 103 -21.947 15.546 32.081 1.00 0.00 ATOM 793 SG CYS 103 -20.872 14.329 32.867 1.00 0.00 ATOM 794 O CYS 103 -23.374 16.137 29.313 1.00 0.00 ATOM 795 C CYS 103 -22.603 16.785 30.014 1.00 0.00 ATOM 796 N GLU 104 -22.716 18.100 30.183 1.00 0.00 ATOM 797 CA GLU 104 -23.835 18.826 29.583 1.00 0.00 ATOM 798 CB GLU 104 -23.944 20.283 30.103 1.00 0.00 ATOM 799 CG GLU 104 -23.057 21.359 29.435 1.00 0.00 ATOM 800 CD GLU 104 -21.650 21.458 30.016 1.00 0.00 ATOM 801 OE1 GLU 104 -21.387 20.776 31.037 1.00 0.00 ATOM 802 OE2 GLU 104 -20.819 22.231 29.447 1.00 0.00 ATOM 803 O GLU 104 -24.844 18.900 27.402 1.00 0.00 ATOM 804 C GLU 104 -23.817 18.734 28.048 1.00 0.00 ATOM 805 N ILE 105 -22.663 18.431 27.466 1.00 0.00 ATOM 806 CA ILE 105 -22.560 18.280 26.015 1.00 0.00 ATOM 807 CB ILE 105 -21.089 18.242 25.548 1.00 0.00 ATOM 808 CG1 ILE 105 -20.374 19.553 25.941 1.00 0.00 ATOM 809 CG2 ILE 105 -21.001 17.937 24.022 1.00 0.00 ATOM 810 CD1 ILE 105 -21.233 20.854 25.765 1.00 0.00 ATOM 811 O ILE 105 -23.942 17.018 24.564 1.00 0.00 ATOM 812 C ILE 105 -23.257 17.018 25.565 1.00 0.00 ATOM 813 N TYR 106 -23.080 15.930 26.298 1.00 0.00 ATOM 814 CA TYR 106 -23.671 14.650 25.911 1.00 0.00 ATOM 815 CB TYR 106 -22.802 13.536 26.424 1.00 0.00 ATOM 816 CG TYR 106 -21.376 13.674 25.972 1.00 0.00 ATOM 817 CD1 TYR 106 -20.996 13.267 24.703 1.00 0.00 ATOM 818 CD2 TYR 106 -20.410 14.249 26.808 1.00 0.00 ATOM 819 CE1 TYR 106 -19.691 13.399 24.279 1.00 0.00 ATOM 820 CE2 TYR 106 -19.107 14.379 26.397 1.00 0.00 ATOM 821 CZ TYR 106 -18.751 13.947 25.129 1.00 0.00 ATOM 822 OH TYR 106 -17.447 14.082 24.691 1.00 0.00 ATOM 823 O TYR 106 -25.940 13.851 25.797 1.00 0.00 ATOM 824 C TYR 106 -25.096 14.471 26.434 1.00 0.00 ATOM 825 N TYR 107 -25.343 15.023 27.606 1.00 0.00 ATOM 826 CA TYR 107 -26.584 14.826 28.319 1.00 0.00 ATOM 827 CB TYR 107 -26.273 14.116 29.625 1.00 0.00 ATOM 828 CG TYR 107 -25.442 12.875 29.406 1.00 0.00 ATOM 829 CD1 TYR 107 -25.836 11.905 28.509 1.00 0.00 ATOM 830 CD2 TYR 107 -24.243 12.699 30.087 1.00 0.00 ATOM 831 CE1 TYR 107 -25.056 10.767 28.311 1.00 0.00 ATOM 832 CE2 TYR 107 -23.480 11.591 29.911 1.00 0.00 ATOM 833 CZ TYR 107 -23.875 10.624 29.027 1.00 0.00 ATOM 834 OH TYR 107 -23.047 9.538 28.859 1.00 0.00 ATOM 835 O TYR 107 -27.196 16.602 29.747 1.00 0.00 ATOM 836 C TYR 107 -27.247 16.146 28.605 1.00 0.00 ATOM 837 N PRO 108 -27.905 16.752 27.584 1.00 0.00 ATOM 838 CA PRO 108 -28.466 18.117 27.704 1.00 0.00 ATOM 839 CB PRO 108 -29.011 18.393 26.308 1.00 0.00 ATOM 840 CG PRO 108 -29.210 17.062 25.693 1.00 0.00 ATOM 841 CD PRO 108 -28.140 16.188 26.247 1.00 0.00 ATOM 842 O PRO 108 -29.765 19.451 29.241 1.00 0.00 ATOM 843 C PRO 108 -29.563 18.328 28.769 1.00 0.00 ATOM 844 N LEU 109 -30.238 17.273 29.193 1.00 0.00 ATOM 845 CA LEU 109 -31.185 17.426 30.284 1.00 0.00 ATOM 846 CB LEU 109 -32.363 16.474 30.096 1.00 0.00 ATOM 847 CG LEU 109 -33.279 16.922 28.940 1.00 0.00 ATOM 848 CD1 LEU 109 -34.416 15.945 28.779 1.00 0.00 ATOM 849 CD2 LEU 109 -33.825 18.327 29.163 1.00 0.00 ATOM 850 O LEU 109 -31.237 17.407 32.683 1.00 0.00 ATOM 851 C LEU 109 -30.543 17.280 31.674 1.00 0.00 ATOM 852 N GLY 110 -29.230 17.046 31.749 1.00 0.00 ATOM 853 CA GLY 110 -28.539 17.121 33.037 1.00 0.00 ATOM 854 O GLY 110 -28.572 14.730 33.145 1.00 0.00 ATOM 855 C GLY 110 -28.505 15.792 33.761 1.00 0.00 ATOM 856 N ILE 111 -28.429 15.843 35.079 1.00 0.00 ATOM 857 CA ILE 111 -28.367 14.614 35.877 1.00 0.00 ATOM 858 CB ILE 111 -28.253 14.955 37.400 1.00 0.00 ATOM 859 CG1 ILE 111 -26.828 15.493 37.674 1.00 0.00 ATOM 860 CG2 ILE 111 -28.562 13.716 38.249 1.00 0.00 ATOM 861 CD1 ILE 111 -26.688 16.485 38.803 1.00 0.00 ATOM 862 O ILE 111 -29.341 12.431 35.588 1.00 0.00 ATOM 863 C ILE 111 -29.525 13.640 35.572 1.00 0.00 ATOM 864 N ASP 112 -30.686 14.199 35.250 1.00 0.00 ATOM 865 CA ASP 112 -31.917 13.454 34.971 1.00 0.00 ATOM 866 CB ASP 112 -33.103 14.295 35.431 1.00 0.00 ATOM 867 CG ASP 112 -33.057 14.561 36.902 1.00 0.00 ATOM 868 OD1 ASP 112 -33.144 13.584 37.646 1.00 0.00 ATOM 869 OD2 ASP 112 -32.880 15.724 37.313 1.00 0.00 ATOM 870 O ASP 112 -33.130 12.472 33.144 1.00 0.00 ATOM 871 C ASP 112 -32.112 13.085 33.512 1.00 0.00 ATOM 872 N ASP 113 -31.146 13.429 32.672 1.00 0.00 ATOM 873 CA ASP 113 -31.186 13.004 31.286 1.00 0.00 ATOM 874 CB ASP 113 -29.935 13.469 30.533 1.00 0.00 ATOM 875 CG ASP 113 -30.079 13.362 29.043 1.00 0.00 ATOM 876 OD1 ASP 113 -30.343 12.259 28.522 1.00 0.00 ATOM 877 OD2 ASP 113 -29.944 14.396 28.371 1.00 0.00 ATOM 878 O ASP 113 -30.530 10.799 31.937 1.00 0.00 ATOM 879 C ASP 113 -31.299 11.475 31.281 1.00 0.00 ATOM 880 N PRO 114 -32.310 10.926 30.602 1.00 0.00 ATOM 881 CA PRO 114 -32.481 9.472 30.625 1.00 0.00 ATOM 882 CB PRO 114 -33.850 9.274 29.965 1.00 0.00 ATOM 883 CG PRO 114 -34.066 10.452 29.176 1.00 0.00 ATOM 884 CD PRO 114 -33.384 11.582 29.846 1.00 0.00 ATOM 885 O PRO 114 -31.227 7.477 30.130 1.00 0.00 ATOM 886 C PRO 114 -31.373 8.691 29.914 1.00 0.00 ATOM 887 N ASP 115 -30.569 9.380 29.113 1.00 0.00 ATOM 888 CA ASP 115 -29.458 8.719 28.448 1.00 0.00 ATOM 889 CB ASP 115 -29.182 9.395 27.111 1.00 0.00 ATOM 890 CG ASP 115 -30.350 9.272 26.165 1.00 0.00 ATOM 891 OD1 ASP 115 -30.881 8.144 26.031 1.00 0.00 ATOM 892 OD2 ASP 115 -30.737 10.296 25.567 1.00 0.00 ATOM 893 O ASP 115 -27.262 7.988 28.858 1.00 0.00 ATOM 894 C ASP 115 -28.184 8.675 29.261 1.00 0.00 ATOM 895 N TYR 116 -28.142 9.400 30.376 1.00 0.00 ATOM 896 CA TYR 116 -26.969 9.453 31.263 1.00 0.00 ATOM 897 CB TYR 116 -27.059 10.680 32.141 1.00 0.00 ATOM 898 CG TYR 116 -26.006 10.842 33.211 1.00 0.00 ATOM 899 CD1 TYR 116 -24.703 10.392 33.049 1.00 0.00 ATOM 900 CD2 TYR 116 -26.320 11.487 34.387 1.00 0.00 ATOM 901 CE1 TYR 116 -23.756 10.581 34.060 1.00 0.00 ATOM 902 CE2 TYR 116 -25.396 11.664 35.380 1.00 0.00 ATOM 903 CZ TYR 116 -24.111 11.200 35.221 1.00 0.00 ATOM 904 OH TYR 116 -23.184 11.412 36.231 1.00 0.00 ATOM 905 O TYR 116 -27.742 7.994 32.984 1.00 0.00 ATOM 906 C TYR 116 -26.878 8.215 32.135 1.00 0.00 ATOM 907 N THR 117 -25.849 7.400 31.901 1.00 0.00 ATOM 908 CA THR 117 -25.548 6.221 32.730 1.00 0.00 ATOM 909 CB THR 117 -25.684 4.930 31.937 1.00 0.00 ATOM 910 CG2 THR 117 -25.309 3.737 32.772 1.00 0.00 ATOM 911 OG1 THR 117 -27.045 4.777 31.547 1.00 0.00 ATOM 912 O THR 117 -23.215 6.732 32.558 1.00 0.00 ATOM 913 C THR 117 -24.131 6.343 33.279 1.00 0.00 ATOM 914 N ALA 118 -23.963 6.085 34.576 1.00 0.00 ATOM 915 CA ALA 118 -22.659 6.159 35.230 1.00 0.00 ATOM 916 CB ALA 118 -22.661 7.132 36.444 1.00 0.00 ATOM 917 O ALA 118 -23.172 3.935 35.943 1.00 0.00 ATOM 918 C ALA 118 -22.293 4.757 35.675 1.00 0.00 ATOM 919 N LEU 119 -21.001 4.472 35.698 1.00 0.00 ATOM 920 CA LEU 119 -20.533 3.120 36.028 1.00 0.00 ATOM 921 CB LEU 119 -20.257 2.290 34.780 1.00 0.00 ATOM 922 CG LEU 119 -21.317 2.201 33.674 1.00 0.00 ATOM 923 CD1 LEU 119 -21.174 3.412 32.733 1.00 0.00 ATOM 924 CD2 LEU 119 -21.213 0.939 32.871 1.00 0.00 ATOM 925 O LEU 119 -18.544 4.253 36.667 1.00 0.00 ATOM 926 C LEU 119 -19.263 3.251 36.808 1.00 0.00 ATOM 927 N CYS 120 -18.983 2.243 37.624 1.00 0.00 ATOM 928 CA CYS 120 -17.804 2.251 38.480 1.00 0.00 ATOM 929 CB CYS 120 -18.191 2.238 39.973 1.00 0.00 ATOM 930 SG CYS 120 -16.760 2.371 41.054 1.00 0.00 ATOM 931 O CYS 120 -17.516 -0.084 38.315 1.00 0.00 ATOM 932 C CYS 120 -17.018 1.018 38.144 1.00 0.00 ATOM 933 N PHE 121 -15.821 1.224 37.607 1.00 0.00 ATOM 934 CA PHE 121 -14.895 0.148 37.334 1.00 0.00 ATOM 935 CB PHE 121 -14.220 0.427 36.002 1.00 0.00 ATOM 936 CG PHE 121 -12.975 -0.401 35.735 1.00 0.00 ATOM 937 CD1 PHE 121 -13.066 -1.756 35.416 1.00 0.00 ATOM 938 CD2 PHE 121 -11.727 0.173 35.793 1.00 0.00 ATOM 939 CE1 PHE 121 -11.941 -2.488 35.120 1.00 0.00 ATOM 940 CE2 PHE 121 -10.565 -0.604 35.501 1.00 0.00 ATOM 941 CZ PHE 121 -10.705 -1.938 35.188 1.00 0.00 ATOM 942 O PHE 121 -13.259 0.972 38.847 1.00 0.00 ATOM 943 C PHE 121 -13.868 0.002 38.444 1.00 0.00 ATOM 944 N THR 122 -13.656 -1.235 38.901 1.00 0.00 ATOM 945 CA THR 122 -12.627 -1.550 39.876 1.00 0.00 ATOM 946 CB THR 122 -13.240 -2.283 41.097 1.00 0.00 ATOM 947 CG2 THR 122 -12.184 -2.547 42.170 1.00 0.00 ATOM 948 OG1 THR 122 -14.291 -1.469 41.641 1.00 0.00 ATOM 949 O THR 122 -11.852 -3.546 38.788 1.00 0.00 ATOM 950 C THR 122 -11.567 -2.423 39.220 1.00 0.00 ATOM 951 N ALA 123 -10.340 -1.902 39.162 1.00 0.00 ATOM 952 CA ALA 123 -9.218 -2.576 38.493 1.00 0.00 ATOM 953 CB ALA 123 -8.167 -1.561 38.062 1.00 0.00 ATOM 954 O ALA 123 -8.500 -3.250 40.642 1.00 0.00 ATOM 955 C ALA 123 -8.604 -3.549 39.455 1.00 0.00 ATOM 956 N GLU 124 -8.194 -4.709 38.944 1.00 0.00 ATOM 957 CA GLU 124 -7.455 -5.702 39.719 1.00 0.00 ATOM 958 CB GLU 124 -8.137 -7.048 39.607 1.00 0.00 ATOM 959 CG GLU 124 -9.623 -7.013 39.853 1.00 0.00 ATOM 960 CD GLU 124 -10.254 -8.384 39.634 1.00 0.00 ATOM 961 OE1 GLU 124 -9.566 -9.404 39.938 1.00 0.00 ATOM 962 OE2 GLU 124 -11.421 -8.428 39.166 1.00 0.00 ATOM 963 O GLU 124 -5.112 -6.129 39.995 1.00 0.00 ATOM 964 C GLU 124 -6.029 -5.884 39.212 1.00 0.00 ATOM 965 N TRP 125 -5.852 -5.813 37.891 1.00 0.00 ATOM 966 CA TRP 125 -4.570 -6.027 37.235 1.00 0.00 ATOM 967 CB TRP 125 -4.553 -7.399 36.548 1.00 0.00 ATOM 968 CG TRP 125 -4.607 -8.590 37.468 1.00 0.00 ATOM 969 CD1 TRP 125 -5.714 -9.290 37.844 1.00 0.00 ATOM 970 CD2 TRP 125 -3.496 -9.234 38.093 1.00 0.00 ATOM 971 CE2 TRP 125 -4.006 -10.312 38.844 1.00 0.00 ATOM 972 CE3 TRP 125 -2.113 -9.006 38.090 1.00 0.00 ATOM 973 NE1 TRP 125 -5.365 -10.319 38.680 1.00 0.00 ATOM 974 CZ2 TRP 125 -3.187 -11.155 39.591 1.00 0.00 ATOM 975 CZ3 TRP 125 -1.293 -9.850 38.840 1.00 0.00 ATOM 976 CH2 TRP 125 -1.833 -10.906 39.576 1.00 0.00 ATOM 977 O TRP 125 -5.327 -4.559 35.530 1.00 0.00 ATOM 978 C TRP 125 -4.358 -4.973 36.159 1.00 0.00 ATOM 979 N GLY 126 -3.098 -4.638 35.909 1.00 0.00 ATOM 980 CA GLY 126 -2.720 -3.694 34.888 1.00 0.00 ATOM 981 O GLY 126 -1.038 -5.309 34.324 1.00 0.00 ATOM 982 C GLY 126 -1.707 -4.335 33.971 1.00 0.00 ATOM 983 N ASN 127 -1.605 -3.761 32.787 1.00 0.00 ATOM 984 CA ASN 127 -0.647 -4.176 31.792 1.00 0.00 ATOM 985 CB ASN 127 -1.352 -5.142 30.847 1.00 0.00 ATOM 986 CG ASN 127 -0.413 -6.066 30.114 1.00 0.00 ATOM 987 ND2 ASN 127 -0.569 -7.364 30.340 1.00 0.00 ATOM 988 OD1 ASN 127 0.381 -5.628 29.297 1.00 0.00 ATOM 989 O ASN 127 -1.007 -2.249 30.411 1.00 0.00 ATOM 990 C ASN 127 -0.193 -2.924 31.061 1.00 0.00 ATOM 991 N TYR 128 1.084 -2.570 31.193 1.00 0.00 ATOM 992 CA TYR 128 1.652 -1.435 30.458 1.00 0.00 ATOM 993 CB TYR 128 2.554 -0.582 31.354 1.00 0.00 ATOM 994 CG TYR 128 3.069 0.663 30.653 1.00 0.00 ATOM 995 CD1 TYR 128 2.192 1.636 30.214 1.00 0.00 ATOM 996 CD2 TYR 128 4.428 0.856 30.416 1.00 0.00 ATOM 997 CE1 TYR 128 2.630 2.782 29.556 1.00 0.00 ATOM 998 CE2 TYR 128 4.896 2.011 29.742 1.00 0.00 ATOM 999 CZ TYR 128 3.984 2.978 29.318 1.00 0.00 ATOM 1000 OH TYR 128 4.410 4.135 28.645 1.00 0.00 ATOM 1001 O TYR 128 3.335 -2.730 29.327 1.00 0.00 ATOM 1002 C TYR 128 2.430 -1.903 29.223 1.00 0.00 ATOM 1003 N TYR 129 2.068 -1.362 28.067 1.00 0.00 ATOM 1004 CA TYR 129 2.657 -1.706 26.777 1.00 0.00 ATOM 1005 CB TYR 129 1.596 -1.876 25.716 1.00 0.00 ATOM 1006 CG TYR 129 0.649 -3.003 25.976 1.00 0.00 ATOM 1007 CD1 TYR 129 0.943 -4.293 25.541 1.00 0.00 ATOM 1008 CD2 TYR 129 -0.560 -2.787 26.656 1.00 0.00 ATOM 1009 CE1 TYR 129 0.057 -5.350 25.772 1.00 0.00 ATOM 1010 CE2 TYR 129 -1.449 -3.831 26.891 1.00 0.00 ATOM 1011 CZ TYR 129 -1.137 -5.107 26.443 1.00 0.00 ATOM 1012 OH TYR 129 -2.014 -6.147 26.675 1.00 0.00 ATOM 1013 O TYR 129 3.095 0.572 26.213 1.00 0.00 ATOM 1014 C TYR 129 3.546 -0.582 26.323 1.00 0.00 ATOM 1015 N ARG 130 4.813 -0.909 26.096 1.00 0.00 ATOM 1016 CA ARG 130 5.747 0.004 25.488 1.00 0.00 ATOM 1017 CB ARG 130 6.212 1.077 26.479 1.00 0.00 ATOM 1018 CG ARG 130 6.814 2.246 25.724 1.00 0.00 ATOM 1019 CD ARG 130 7.100 3.448 26.560 1.00 0.00 ATOM 1020 NE ARG 130 7.969 4.317 25.769 1.00 0.00 ATOM 1021 CZ ARG 130 8.652 5.350 26.247 1.00 0.00 ATOM 1022 NH1 ARG 130 8.562 5.680 27.535 1.00 0.00 ATOM 1023 NH2 ARG 130 9.425 6.065 25.425 1.00 0.00 ATOM 1024 O ARG 130 7.288 -1.817 25.465 1.00 0.00 ATOM 1025 C ARG 130 6.928 -0.760 24.935 1.00 0.00 ATOM 1026 N HIS 131 7.486 -0.249 23.842 1.00 0.00 ATOM 1027 CA HIS 131 8.666 -0.820 23.193 1.00 0.00 ATOM 1028 CB HIS 131 9.899 -0.790 24.129 1.00 0.00 ATOM 1029 CG HIS 131 10.270 0.581 24.616 1.00 0.00 ATOM 1030 CD2 HIS 131 10.165 1.152 25.840 1.00 0.00 ATOM 1031 ND1 HIS 131 10.830 1.541 23.796 1.00 0.00 ATOM 1032 CE1 HIS 131 11.031 2.649 24.488 1.00 0.00 ATOM 1033 NE2 HIS 131 10.642 2.439 25.733 1.00 0.00 ATOM 1034 O HIS 131 9.257 -3.091 22.878 1.00 0.00 ATOM 1035 C HIS 131 8.392 -2.251 22.743 1.00 0.00 ATOM 1036 N LEU 132 7.192 -2.512 22.209 1.00 0.00 ATOM 1037 CA LEU 132 6.741 -3.874 21.816 1.00 0.00 ATOM 1038 CB LEU 132 7.551 -4.454 20.640 1.00 0.00 ATOM 1039 CG LEU 132 7.383 -3.888 19.231 1.00 0.00 ATOM 1040 CD1 LEU 132 8.135 -2.548 19.096 1.00 0.00 ATOM 1041 CD2 LEU 132 7.867 -4.951 18.190 1.00 0.00 ATOM 1042 O LEU 132 6.884 -6.092 22.684 1.00 0.00 ATOM 1043 C LEU 132 6.797 -4.884 22.943 1.00 0.00 ATOM 1044 N LYS 133 6.756 -4.400 24.184 1.00 0.00 ATOM 1045 CA LYS 133 6.781 -5.273 25.363 1.00 0.00 ATOM 1046 CB LYS 133 8.110 -5.176 26.125 1.00 0.00 ATOM 1047 CG LYS 133 9.279 -4.740 25.310 1.00 0.00 ATOM 1048 CD LYS 133 10.552 -4.933 26.088 1.00 0.00 ATOM 1049 CE LYS 133 11.745 -4.981 25.189 1.00 0.00 ATOM 1050 NZ LYS 133 12.906 -5.439 25.943 1.00 0.00 ATOM 1051 O LYS 133 5.121 -3.793 26.149 1.00 0.00 ATOM 1052 C LYS 133 5.694 -4.850 26.300 1.00 0.00 ATOM 1053 N ASN 134 5.413 -5.679 27.284 1.00 0.00 ATOM 1054 CA ASN 134 4.488 -5.277 28.326 1.00 0.00 ATOM 1055 CB ASN 134 3.065 -5.726 28.041 1.00 0.00 ATOM 1056 CG ASN 134 2.953 -7.188 27.740 1.00 0.00 ATOM 1057 ND2 ASN 134 2.177 -7.523 26.719 1.00 0.00 ATOM 1058 OD1 ASN 134 3.531 -8.006 28.418 1.00 0.00 ATOM 1059 O ASN 134 5.602 -6.737 29.803 1.00 0.00 ATOM 1060 C ASN 134 4.925 -5.722 29.685 1.00 0.00 ATOM 1061 N ILE 135 4.577 -4.905 30.678 1.00 0.00 ATOM 1062 CA ILE 135 4.788 -5.223 32.071 1.00 0.00 ATOM 1063 CB ILE 135 5.522 -4.086 32.808 1.00 0.00 ATOM 1064 CG1 ILE 135 6.888 -3.829 32.182 1.00 0.00 ATOM 1065 CG2 ILE 135 5.672 -4.445 34.316 1.00 0.00 ATOM 1066 CD1 ILE 135 7.570 -2.552 32.665 1.00 0.00 ATOM 1067 O ILE 135 2.594 -4.494 32.578 1.00 0.00 ATOM 1068 C ILE 135 3.430 -5.383 32.688 1.00 0.00 ATOM 1069 N THR 136 3.211 -6.523 33.328 1.00 0.00 ATOM 1070 CA THR 136 1.982 -6.809 34.023 1.00 0.00 ATOM 1071 CB THR 136 1.603 -8.255 33.824 1.00 0.00 ATOM 1072 CG2 THR 136 0.310 -8.561 34.565 1.00 0.00 ATOM 1073 OG1 THR 136 1.422 -8.484 32.424 1.00 0.00 ATOM 1074 O THR 136 3.175 -6.938 36.070 1.00 0.00 ATOM 1075 C THR 136 2.150 -6.582 35.512 1.00 0.00 ATOM 1076 N PHE 137 1.154 -5.973 36.140 1.00 0.00 ATOM 1077 CA PHE 137 1.210 -5.698 37.574 1.00 0.00 ATOM 1078 CB PHE 137 1.784 -4.303 37.855 1.00 0.00 ATOM 1079 CG PHE 137 1.108 -3.205 37.131 1.00 0.00 ATOM 1080 CD1 PHE 137 1.431 -2.921 35.802 1.00 0.00 ATOM 1081 CD2 PHE 137 0.161 -2.420 37.765 1.00 0.00 ATOM 1082 CE1 PHE 137 0.803 -1.882 35.122 1.00 0.00 ATOM 1083 CE2 PHE 137 -0.469 -1.380 37.097 1.00 0.00 ATOM 1084 CZ PHE 137 -0.151 -1.105 35.779 1.00 0.00 ATOM 1085 O PHE 137 -1.182 -5.702 37.555 1.00 0.00 ATOM 1086 C PHE 137 -0.156 -5.857 38.219 1.00 0.00 ATOM 1087 N LYS 138 -0.153 -6.170 39.514 1.00 0.00 ATOM 1088 CA LYS 138 -1.372 -6.282 40.306 1.00 0.00 ATOM 1089 CB LYS 138 -1.208 -7.381 41.349 1.00 0.00 ATOM 1090 CG LYS 138 -2.486 -7.819 42.040 1.00 0.00 ATOM 1091 CD LYS 138 -2.277 -9.153 42.779 1.00 0.00 ATOM 1092 CE LYS 138 -3.615 -9.814 43.181 1.00 0.00 ATOM 1093 NZ LYS 138 -3.451 -11.189 43.809 1.00 0.00 ATOM 1094 O LYS 138 -0.680 -4.379 41.540 1.00 0.00 ATOM 1095 C LYS 138 -1.594 -4.930 40.961 1.00 0.00 ATOM 1096 N ILE 139 -2.799 -4.385 40.856 1.00 0.00 ATOM 1097 CA ILE 139 -3.038 -3.002 41.276 1.00 0.00 ATOM 1098 CB ILE 139 -4.448 -2.512 40.844 1.00 0.00 ATOM 1099 CG1 ILE 139 -4.586 -2.544 39.317 1.00 0.00 ATOM 1100 CG2 ILE 139 -4.718 -1.107 41.305 1.00 0.00 ATOM 1101 CD1 ILE 139 -3.679 -1.612 38.578 1.00 0.00 ATOM 1102 O ILE 139 -2.130 -1.872 43.233 1.00 0.00 ATOM 1103 C ILE 139 -2.777 -2.839 42.798 1.00 0.00 ATOM 1104 N ASP 140 -3.211 -3.815 43.584 1.00 0.00 ATOM 1105 CA ASP 140 -3.044 -3.771 45.046 1.00 0.00 ATOM 1106 CB ASP 140 -3.962 -4.808 45.705 1.00 0.00 ATOM 1107 CG ASP 140 -5.451 -4.456 45.555 1.00 0.00 ATOM 1108 OD1 ASP 140 -5.765 -3.330 45.102 1.00 0.00 ATOM 1109 OD2 ASP 140 -6.311 -5.304 45.893 1.00 0.00 ATOM 1110 O ASP 140 -1.321 -3.695 46.720 1.00 0.00 ATOM 1111 C ASP 140 -1.597 -3.940 45.552 1.00 0.00 ATOM 1112 N GLU 141 -0.679 -4.354 44.690 1.00 0.00 ATOM 1113 CA GLU 141 0.739 -4.391 45.048 1.00 0.00 ATOM 1114 CB GLU 141 1.453 -5.473 44.249 1.00 0.00 ATOM 1115 CG GLU 141 0.918 -6.863 44.556 1.00 0.00 ATOM 1116 CD GLU 141 1.678 -7.965 43.850 1.00 0.00 ATOM 1117 OE1 GLU 141 2.570 -7.643 43.028 1.00 0.00 ATOM 1118 OE2 GLU 141 1.378 -9.154 44.121 1.00 0.00 ATOM 1119 O GLU 141 2.445 -2.745 45.480 1.00 0.00 ATOM 1120 C GLU 141 1.432 -3.037 44.836 1.00 0.00 ATOM 1121 N ILE 142 0.876 -2.213 43.951 1.00 0.00 ATOM 1122 CA ILE 142 1.482 -0.932 43.568 1.00 0.00 ATOM 1123 CB ILE 142 1.987 -0.973 42.090 1.00 0.00 ATOM 1124 CG1 ILE 142 0.828 -1.091 41.075 1.00 0.00 ATOM 1125 CG2 ILE 142 2.981 -2.139 41.901 1.00 0.00 ATOM 1126 CD1 ILE 142 0.047 0.213 40.779 1.00 0.00 ATOM 1127 O ILE 142 -0.047 0.383 44.878 1.00 0.00 ATOM 1128 C ILE 142 0.499 0.221 43.782 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_2010318097.pdb -s /var/tmp/to_scwrl_2010318097.seq -o /var/tmp/from_scwrl_2010318097.pdb > /var/tmp/scwrl_2010318097.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2010318097.pdb # conformation set from SCWRL output # command:# naming current conformation model1-scwrl # command:# ReadConformPDB reading from PDB file model2.ts-submitted looking for model 1 # Found a chain break before 42 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -75.532 # GDT_score(maxd=8.000,maxw=2.900)= -78.422 # GDT_score(maxd=8.000,maxw=3.200)= -75.040 # GDT_score(maxd=8.000,maxw=3.500)= -71.545 # GDT_score(maxd=10.000,maxw=3.800)= -74.193 # GDT_score(maxd=10.000,maxw=4.000)= -71.847 # GDT_score(maxd=10.000,maxw=4.200)= -69.549 # GDT_score(maxd=12.000,maxw=4.300)= -73.165 # GDT_score(maxd=12.000,maxw=4.500)= -70.931 # GDT_score(maxd=12.000,maxw=4.700)= -68.682 # GDT_score(maxd=14.000,maxw=5.200)= -67.113 # GDT_score(maxd=14.000,maxw=5.500)= -64.115 # command:# request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1044385522.pdb -s /var/tmp/to_scwrl_1044385522.seq -o /var/tmp/from_scwrl_1044385522.pdb > /var/tmp/scwrl_1044385522.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1044385522.pdb # conformation set from SCWRL output # command:# naming current conformation model2-scwrl # command:# ReadConformPDB reading from PDB file model3.ts-submitted looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -72.340 # GDT_score(maxd=8.000,maxw=2.900)= -75.253 # GDT_score(maxd=8.000,maxw=3.200)= -71.968 # GDT_score(maxd=8.000,maxw=3.500)= -68.616 # GDT_score(maxd=10.000,maxw=3.800)= -71.303 # GDT_score(maxd=10.000,maxw=4.000)= -69.149 # GDT_score(maxd=10.000,maxw=4.200)= -66.968 # GDT_score(maxd=12.000,maxw=4.300)= -70.621 # GDT_score(maxd=12.000,maxw=4.500)= -68.476 # GDT_score(maxd=12.000,maxw=4.700)= -66.354 # GDT_score(maxd=14.000,maxw=5.200)= -65.009 # GDT_score(maxd=14.000,maxw=5.500)= -62.043 # command:# request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1518046040.pdb -s /var/tmp/to_scwrl_1518046040.seq -o /var/tmp/from_scwrl_1518046040.pdb > /var/tmp/scwrl_1518046040.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1518046040.pdb # conformation set from SCWRL output # command:# naming current conformation model3-scwrl # command:# ReadConformPDB reading from PDB file model4.ts-submitted looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -75.000 # GDT_score(maxd=8.000,maxw=2.900)= -78.221 # GDT_score(maxd=8.000,maxw=3.200)= -74.837 # GDT_score(maxd=8.000,maxw=3.500)= -71.466 # GDT_score(maxd=10.000,maxw=3.800)= -74.091 # GDT_score(maxd=10.000,maxw=4.000)= -71.826 # GDT_score(maxd=10.000,maxw=4.200)= -69.569 # GDT_score(maxd=12.000,maxw=4.300)= -73.153 # GDT_score(maxd=12.000,maxw=4.500)= -70.965 # GDT_score(maxd=12.000,maxw=4.700)= -68.814 # GDT_score(maxd=14.000,maxw=5.200)= -67.351 # GDT_score(maxd=14.000,maxw=5.500)= -64.463 # command:# request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1396147190.pdb -s /var/tmp/to_scwrl_1396147190.seq -o /var/tmp/from_scwrl_1396147190.pdb > /var/tmp/scwrl_1396147190.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1396147190.pdb # conformation set from SCWRL output # command:# naming current conformation model4-scwrl # command:# ReadConformPDB reading from PDB file model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # command:# fraction of real conformation used = 0.837 # GDT_score = -65.426 # GDT_score(maxd=8.000,maxw=2.900)= -67.573 # GDT_score(maxd=8.000,maxw=3.200)= -64.928 # GDT_score(maxd=8.000,maxw=3.500)= -62.294 # GDT_score(maxd=10.000,maxw=3.800)= -64.285 # GDT_score(maxd=10.000,maxw=4.000)= -62.540 # GDT_score(maxd=10.000,maxw=4.200)= -60.719 # GDT_score(maxd=12.000,maxw=4.300)= -63.523 # GDT_score(maxd=12.000,maxw=4.500)= -61.749 # GDT_score(maxd=12.000,maxw=4.700)= -59.997 # GDT_score(maxd=14.000,maxw=5.200)= -58.677 # GDT_score(maxd=14.000,maxw=5.500)= -56.271 # command:# request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1064624167.pdb -s /var/tmp/to_scwrl_1064624167.seq -o /var/tmp/from_scwrl_1064624167.pdb > /var/tmp/scwrl_1064624167.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1064624167.pdb # conformation set from SCWRL output # command:# naming current conformation model5-scwrl # command:# Prefix for input files set to decoys/ # command:# ReadConformPDB reading from PDB file T0380.try1-opt2.pdb looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -75.355 # GDT_score(maxd=8.000,maxw=2.900)= -78.412 # GDT_score(maxd=8.000,maxw=3.200)= -75.027 # GDT_score(maxd=8.000,maxw=3.500)= -71.597 # GDT_score(maxd=10.000,maxw=3.800)= -74.211 # GDT_score(maxd=10.000,maxw=4.000)= -71.943 # GDT_score(maxd=10.000,maxw=4.200)= -69.711 # GDT_score(maxd=12.000,maxw=4.300)= -73.261 # GDT_score(maxd=12.000,maxw=4.500)= -71.100 # GDT_score(maxd=12.000,maxw=4.700)= -68.959 # GDT_score(maxd=14.000,maxw=5.200)= -67.504 # GDT_score(maxd=14.000,maxw=5.500)= -64.578 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0380.try1-real.pdb for output Error: Couldn't open file T0380.try1-real.pdb for output superimposing iter= 0 total_weight= 1692.000 rmsd (weighted)= 3.077 (unweighted)= 12.096 superimposing iter= 1 total_weight= 4029.674 rmsd (weighted)= 1.505 (unweighted)= 12.218 superimposing iter= 2 total_weight= 1905.301 rmsd (weighted)= 1.127 (unweighted)= 12.277 superimposing iter= 3 total_weight= 1405.089 rmsd (weighted)= 0.998 (unweighted)= 12.310 superimposing iter= 4 total_weight= 1238.332 rmsd (weighted)= 0.946 (unweighted)= 12.328 superimposing iter= 5 total_weight= 1181.071 rmsd (weighted)= 0.919 (unweighted)= 12.338 EXPDTA T0380.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0380.try1-opt2.pdb ATOM 1 N MET A 1 -2.624 4.186 48.844 1.00 0.00 ATOM 2 CA MET A 1 -2.164 5.016 47.698 1.00 0.00 ATOM 3 CB MET A 1 -1.285 6.136 48.207 1.00 0.00 ATOM 4 CG MET A 1 0.037 5.677 48.788 1.00 0.00 ATOM 5 SD MET A 1 1.249 7.034 48.751 1.00 0.00 ATOM 6 CE MET A 1 0.892 7.694 47.006 1.00 0.00 ATOM 7 O MET A 1 -0.898 3.077 47.116 1.00 0.00 ATOM 8 C MET A 1 -1.292 4.188 46.771 1.00 0.00 ATOM 9 N ILE A 2 -0.995 4.738 45.598 1.00 0.00 ATOM 10 CA ILE A 2 -0.135 4.062 44.632 1.00 0.00 ATOM 11 CB ILE A 2 -0.606 4.276 43.168 1.00 0.00 ATOM 12 CG1 ILE A 2 -1.997 3.674 42.965 1.00 0.00 ATOM 13 CG2 ILE A 2 0.387 3.637 42.196 1.00 0.00 ATOM 14 CD1 ILE A 2 -2.591 3.933 41.593 1.00 0.00 ATOM 15 O ILE A 2 1.518 5.804 44.574 1.00 0.00 ATOM 16 C ILE A 2 1.246 4.647 44.896 1.00 0.00 ATOM 17 N ASP A 3 2.099 3.844 45.516 1.00 0.00 ATOM 18 CA ASP A 3 3.437 4.289 45.903 1.00 0.00 ATOM 19 CB ASP A 3 3.878 3.694 47.201 1.00 0.00 ATOM 20 CG ASP A 3 3.764 2.194 47.282 1.00 0.00 ATOM 21 OD1 ASP A 3 2.977 1.573 46.543 1.00 0.00 ATOM 22 OD2 ASP A 3 4.476 1.631 48.134 1.00 0.00 ATOM 23 O ASP A 3 5.531 4.452 44.704 1.00 0.00 ATOM 24 C ASP A 3 4.430 3.907 44.795 1.00 0.00 ATOM 25 N GLU A 4 4.019 2.974 43.941 1.00 0.00 ATOM 26 CA GLU A 4 4.837 2.484 42.832 1.00 0.00 ATOM 27 CB GLU A 4 4.340 1.094 42.375 1.00 0.00 ATOM 28 CG GLU A 4 4.251 0.055 43.477 1.00 0.00 ATOM 29 CD GLU A 4 5.545 -0.123 44.231 1.00 0.00 ATOM 30 OE1 GLU A 4 6.542 -0.512 43.594 1.00 0.00 ATOM 31 OE2 GLU A 4 5.566 0.160 45.451 1.00 0.00 ATOM 32 O GLU A 4 4.050 4.031 41.191 1.00 0.00 ATOM 33 C GLU A 4 5.014 3.446 41.671 1.00 0.00 ATOM 34 N LYS A 5 6.332 3.579 41.225 1.00 0.00 ATOM 35 CA LYS A 5 6.625 4.417 40.069 1.00 0.00 ATOM 36 CB LYS A 5 8.098 4.271 39.678 1.00 0.00 ATOM 37 CG LYS A 5 8.539 5.201 38.560 1.00 0.00 ATOM 38 CD LYS A 5 10.024 5.053 38.273 1.00 0.00 ATOM 39 CE LYS A 5 10.455 5.948 37.121 1.00 0.00 ATOM 40 NZ LYS A 5 11.902 5.795 36.812 1.00 0.00 ATOM 41 O LYS A 5 5.299 4.982 38.163 1.00 0.00 ATOM 42 C LYS A 5 5.802 4.085 38.834 1.00 0.00 ATOM 43 N PHE A 6 5.665 2.806 38.528 1.00 0.00 ATOM 44 CA PHE A 6 4.882 2.407 37.350 1.00 0.00 ATOM 45 CB PHE A 6 5.092 0.980 36.989 1.00 0.00 ATOM 46 CG PHE A 6 6.348 0.781 36.159 1.00 0.00 ATOM 47 CD1 PHE A 6 7.601 0.611 36.770 1.00 0.00 ATOM 48 CD2 PHE A 6 6.283 0.813 34.768 1.00 0.00 ATOM 49 CE1 PHE A 6 8.766 0.472 35.996 1.00 0.00 ATOM 50 CE2 PHE A 6 7.450 0.677 33.976 1.00 0.00 ATOM 51 CZ PHE A 6 8.683 0.504 34.592 1.00 0.00 ATOM 52 O PHE A 6 2.701 3.101 36.625 1.00 0.00 ATOM 53 C PHE A 6 3.387 2.676 37.550 1.00 0.00 ATOM 54 N LEU A 7 2.889 2.414 38.753 1.00 0.00 ATOM 55 CA LEU A 7 1.474 2.648 39.046 1.00 0.00 ATOM 56 CB LEU A 7 1.106 2.158 40.417 1.00 0.00 ATOM 57 CG LEU A 7 1.130 0.638 40.573 1.00 0.00 ATOM 58 CD1 LEU A 7 0.941 0.285 42.040 1.00 0.00 ATOM 59 CD2 LEU A 7 0.101 -0.043 39.686 1.00 0.00 ATOM 60 O LEU A 7 0.168 4.564 38.345 1.00 0.00 ATOM 61 C LEU A 7 1.189 4.148 38.904 1.00 0.00 ATOM 62 N ILE A 8 2.103 4.956 39.413 1.00 0.00 ATOM 63 CA ILE A 8 1.967 6.411 39.345 1.00 0.00 ATOM 64 CB ILE A 8 3.006 7.116 40.237 1.00 0.00 ATOM 65 CG1 ILE A 8 2.708 6.853 41.714 1.00 0.00 ATOM 66 CG2 ILE A 8 2.976 8.619 40.000 1.00 0.00 ATOM 67 CD1 ILE A 8 3.817 7.287 42.647 1.00 0.00 ATOM 68 O ILE A 8 1.342 7.815 37.508 1.00 0.00 ATOM 69 C ILE A 8 2.081 6.923 37.921 1.00 0.00 ATOM 70 N GLU A 9 3.008 6.363 37.131 1.00 0.00 ATOM 71 CA GLU A 9 3.184 6.776 35.749 1.00 0.00 ATOM 72 CB GLU A 9 4.368 6.048 35.108 1.00 0.00 ATOM 73 CG GLU A 9 5.723 6.469 35.650 1.00 0.00 ATOM 74 CD GLU A 9 6.864 5.662 35.058 1.00 0.00 ATOM 75 OE1 GLU A 9 6.587 4.733 34.271 1.00 0.00 ATOM 76 OE2 GLU A 9 8.032 5.960 35.382 1.00 0.00 ATOM 77 O GLU A 9 1.573 7.219 34.048 1.00 0.00 ATOM 78 C GLU A 9 1.927 6.468 34.946 1.00 0.00 ATOM 79 N SER A 10 1.261 5.373 35.304 1.00 0.00 ATOM 80 CA SER A 10 -0.012 4.983 34.694 1.00 0.00 ATOM 81 CB SER A 10 -0.591 3.714 35.144 1.00 0.00 ATOM 82 OG SER A 10 -0.801 3.554 36.468 1.00 0.00 ATOM 83 O SER A 10 -1.840 6.459 34.142 1.00 0.00 ATOM 84 C SER A 10 -1.104 6.006 35.024 1.00 0.00 ATOM 85 N ASN A 11 -1.172 6.401 36.295 1.00 0.00 ATOM 86 CA ASN A 11 -2.114 7.453 36.707 1.00 0.00 ATOM 87 CB ASN A 11 -2.009 7.706 38.212 1.00 0.00 ATOM 88 CG ASN A 11 -2.628 6.592 39.034 1.00 0.00 ATOM 89 ND2 ASN A 11 -2.238 6.508 40.302 1.00 0.00 ATOM 90 OD1 ASN A 11 -3.444 5.818 38.534 1.00 0.00 ATOM 91 O ASN A 11 -2.812 9.497 35.624 1.00 0.00 ATOM 92 C ASN A 11 -1.861 8.805 36.011 1.00 0.00 ATOM 93 N GLU A 12 -0.604 9.201 35.831 1.00 0.00 ATOM 94 CA GLU A 12 -0.286 10.419 35.096 1.00 0.00 ATOM 95 CB GLU A 12 1.230 10.595 34.982 1.00 0.00 ATOM 96 CG GLU A 12 1.913 10.950 36.292 1.00 0.00 ATOM 97 CD GLU A 12 3.423 10.996 36.167 1.00 0.00 ATOM 98 OE1 GLU A 12 3.939 10.677 35.076 1.00 0.00 ATOM 99 OE2 GLU A 12 4.091 11.351 37.162 1.00 0.00 ATOM 100 O GLU A 12 -1.410 11.370 33.192 1.00 0.00 ATOM 101 C GLU A 12 -0.826 10.393 33.663 1.00 0.00 ATOM 102 N LEU A 13 -0.642 9.260 32.983 1.00 0.00 ATOM 103 CA LEU A 13 -1.151 9.103 31.621 1.00 0.00 ATOM 104 CB LEU A 13 -0.811 7.697 31.122 1.00 0.00 ATOM 105 CG LEU A 13 0.666 7.420 30.833 1.00 0.00 ATOM 106 CD1 LEU A 13 0.887 5.946 30.530 1.00 0.00 ATOM 107 CD2 LEU A 13 1.139 8.226 29.633 1.00 0.00 ATOM 108 O LEU A 13 -3.244 9.864 30.727 1.00 0.00 ATOM 109 C LEU A 13 -2.665 9.232 31.600 1.00 0.00 ATOM 110 N VAL A 14 -3.310 8.596 32.551 1.00 0.00 ATOM 111 CA VAL A 14 -4.761 8.637 32.624 1.00 0.00 ATOM 112 CB VAL A 14 -5.270 7.800 33.812 1.00 0.00 ATOM 113 CG1 VAL A 14 -6.768 7.989 33.994 1.00 0.00 ATOM 114 CG2 VAL A 14 -4.997 6.322 33.576 1.00 0.00 ATOM 115 O VAL A 14 -6.307 10.456 32.211 1.00 0.00 ATOM 116 C VAL A 14 -5.290 10.062 32.834 1.00 0.00 ATOM 117 N GLU A 15 -4.598 10.800 33.660 1.00 0.00 ATOM 118 CA GLU A 15 -4.984 12.188 33.953 1.00 0.00 ATOM 119 CB GLU A 15 -3.991 12.834 34.921 1.00 0.00 ATOM 120 CG GLU A 15 -4.087 12.312 36.347 1.00 0.00 ATOM 121 CD GLU A 15 -3.004 12.875 37.246 1.00 0.00 ATOM 122 OE1 GLU A 15 -2.137 13.619 36.739 1.00 0.00 ATOM 123 OE2 GLU A 15 -3.020 12.571 38.457 1.00 0.00 ATOM 124 O GLU A 15 -5.681 14.039 32.590 1.00 0.00 ATOM 125 C GLU A 15 -4.990 13.019 32.670 1.00 0.00 ATOM 126 N SER A 16 -4.202 12.568 31.655 1.00 0.00 ATOM 127 CA SER A 16 -4.105 13.274 30.380 1.00 0.00 ATOM 128 CB SER A 16 -2.746 13.018 29.725 1.00 0.00 ATOM 129 OG SER A 16 -1.694 13.560 30.505 1.00 0.00 ATOM 130 O SER A 16 -5.392 13.462 28.375 1.00 0.00 ATOM 131 C SER A 16 -5.170 12.808 29.397 1.00 0.00 ATOM 132 N SER A 17 -5.805 11.669 29.683 1.00 0.00 ATOM 133 CA SER A 17 -6.810 11.101 28.784 1.00 0.00 ATOM 134 CB SER A 17 -6.713 9.574 28.771 1.00 0.00 ATOM 135 OG SER A 17 -5.473 9.147 28.234 1.00 0.00 ATOM 136 O SER A 17 -8.576 11.301 30.398 1.00 0.00 ATOM 137 C SER A 17 -8.222 11.469 29.225 1.00 0.00 ATOM 138 N LYS A 18 -9.025 11.985 28.303 1.00 0.00 ATOM 139 CA LYS A 18 -10.441 12.209 28.607 1.00 0.00 ATOM 140 CB LYS A 18 -10.905 13.540 28.011 1.00 0.00 ATOM 141 CG LYS A 18 -10.220 14.759 28.606 1.00 0.00 ATOM 142 CD LYS A 18 -10.713 16.041 27.956 1.00 0.00 ATOM 143 CE LYS A 18 -10.035 17.261 28.557 1.00 0.00 ATOM 144 NZ LYS A 18 -10.564 18.530 27.985 1.00 0.00 ATOM 145 O LYS A 18 -12.519 11.032 28.312 1.00 0.00 ATOM 146 C LYS A 18 -11.319 11.097 28.035 1.00 0.00 ATOM 147 N ILE A 19 -10.695 10.210 27.259 1.00 0.00 ATOM 148 CA ILE A 19 -11.376 9.097 26.614 1.00 0.00 ATOM 149 CB ILE A 19 -11.418 9.270 25.084 1.00 0.00 ATOM 150 CG1 ILE A 19 -12.188 10.540 24.714 1.00 0.00 ATOM 151 CG2 ILE A 19 -12.108 8.082 24.432 1.00 0.00 ATOM 152 CD1 ILE A 19 -12.085 10.909 23.250 1.00 0.00 ATOM 153 O ILE A 19 -9.414 7.729 26.836 1.00 0.00 ATOM 154 C ILE A 19 -10.649 7.786 26.867 1.00 0.00 ATOM 155 N VAL A 20 -11.399 6.708 27.129 1.00 0.00 ATOM 156 CA VAL A 20 -10.825 5.394 27.390 1.00 0.00 ATOM 157 CB VAL A 20 -10.953 4.960 28.862 1.00 0.00 ATOM 158 CG1 VAL A 20 -10.182 5.908 29.767 1.00 0.00 ATOM 159 CG2 VAL A 20 -12.413 4.965 29.293 1.00 0.00 ATOM 160 O VAL A 20 -12.588 4.863 25.893 1.00 0.00 ATOM 161 C VAL A 20 -11.593 4.458 26.472 1.00 0.00 ATOM 162 N MET A 21 -11.124 3.226 26.318 1.00 0.00 ATOM 163 CA MET A 21 -11.908 2.210 25.610 1.00 0.00 ATOM 164 CB MET A 21 -11.339 2.027 24.194 1.00 0.00 ATOM 165 CG MET A 21 -11.351 3.285 23.378 1.00 0.00 ATOM 166 SD MET A 21 -10.552 2.910 21.757 1.00 0.00 ATOM 167 CE MET A 21 -10.656 4.432 20.940 1.00 0.00 ATOM 168 O MET A 21 -11.438 0.645 27.396 1.00 0.00 ATOM 169 C MET A 21 -12.293 1.146 26.639 1.00 0.00 ATOM 170 N VAL A 22 -13.558 0.772 26.677 1.00 0.00 ATOM 171 CA VAL A 22 -14.134 -0.093 27.678 1.00 0.00 ATOM 172 CB VAL A 22 -15.269 0.561 28.488 1.00 0.00 ATOM 173 CG1 VAL A 22 -15.855 -0.431 29.481 1.00 0.00 ATOM 174 CG2 VAL A 22 -14.750 1.764 29.259 1.00 0.00 ATOM 175 O VAL A 22 -15.471 -1.113 26.046 1.00 0.00 ATOM 176 C VAL A 22 -14.734 -1.378 26.986 1.00 0.00 ATOM 177 N GLY A 23 -14.342 -2.516 27.455 1.00 0.00 ATOM 178 CA GLY A 23 -14.870 -3.726 26.863 1.00 0.00 ATOM 179 O GLY A 23 -15.269 -4.656 29.048 1.00 0.00 ATOM 180 C GLY A 23 -15.647 -4.524 27.896 1.00 0.00 ATOM 181 N THR A 24 -16.738 -5.076 27.402 1.00 0.00 ATOM 182 CA THR A 24 -17.647 -5.955 28.112 1.00 0.00 ATOM 183 CB THR A 24 -19.048 -5.431 28.147 1.00 0.00 ATOM 184 CG2 THR A 24 -19.039 -4.021 28.714 1.00 0.00 ATOM 185 OG1 THR A 24 -19.623 -5.393 26.835 1.00 0.00 ATOM 186 O THR A 24 -17.020 -7.276 26.229 1.00 0.00 ATOM 187 C THR A 24 -17.564 -7.253 27.327 1.00 0.00 ATOM 188 N ASN A 25 -18.108 -8.321 27.895 1.00 0.00 ATOM 189 CA ASN A 25 -18.351 -9.548 27.172 1.00 0.00 ATOM 190 CB ASN A 25 -17.746 -10.733 27.928 1.00 0.00 ATOM 191 CG ASN A 25 -16.240 -10.630 28.065 1.00 0.00 ATOM 192 ND2 ASN A 25 -15.765 -10.510 29.299 1.00 0.00 ATOM 193 OD1 ASN A 25 -15.514 -10.659 27.071 1.00 0.00 ATOM 194 O ASN A 25 -20.590 -9.643 28.068 1.00 0.00 ATOM 195 C ASN A 25 -19.874 -9.705 27.053 1.00 0.00 ATOM 196 N GLY A 26 -20.371 -9.883 25.832 1.00 0.00 ATOM 197 CA GLY A 26 -21.811 -10.062 25.672 1.00 0.00 ATOM 198 O GLY A 26 -21.401 -12.360 26.307 1.00 0.00 ATOM 199 C GLY A 26 -22.239 -11.498 26.013 1.00 0.00 ATOM 200 N GLU A 27 -23.543 -11.749 26.001 1.00 0.00 ATOM 201 CA GLU A 27 -24.020 -13.061 26.406 1.00 0.00 ATOM 202 CB GLU A 27 -25.593 -12.898 26.644 1.00 0.00 ATOM 203 CG GLU A 27 -26.289 -14.086 27.326 1.00 0.00 ATOM 204 CD GLU A 27 -25.925 -14.267 28.810 1.00 0.00 ATOM 205 OE1 GLU A 27 -25.341 -13.332 29.391 1.00 0.00 ATOM 206 OE2 GLU A 27 -26.284 -15.352 29.350 1.00 0.00 ATOM 207 O GLU A 27 -23.396 -15.317 25.941 1.00 0.00 ATOM 208 C GLU A 27 -23.490 -14.179 25.508 1.00 0.00 ATOM 209 N ASN A 28 -23.139 -13.845 24.268 1.00 0.00 ATOM 210 CA ASN A 28 -22.594 -14.843 23.346 1.00 0.00 ATOM 211 CB ASN A 28 -22.849 -14.418 21.899 1.00 0.00 ATOM 212 CG ASN A 28 -24.318 -14.482 21.525 1.00 0.00 ATOM 213 ND2 ASN A 28 -24.718 -13.653 20.566 1.00 0.00 ATOM 214 OD1 ASN A 28 -25.079 -15.266 22.090 1.00 0.00 ATOM 215 O ASN A 28 -20.547 -15.898 22.705 1.00 0.00 ATOM 216 C ASN A 28 -21.081 -15.093 23.457 1.00 0.00 ATOM 217 N GLY A 29 -20.407 -14.402 24.380 1.00 0.00 ATOM 218 CA GLY A 29 -18.972 -14.588 24.617 1.00 0.00 ATOM 219 O GLY A 29 -16.862 -13.870 23.750 1.00 0.00 ATOM 220 C GLY A 29 -18.073 -13.675 23.787 1.00 0.00 ATOM 221 N TYR A 30 -18.663 -12.677 23.128 1.00 0.00 ATOM 222 CA TYR A 30 -17.906 -11.721 22.291 1.00 0.00 ATOM 223 CB TYR A 30 -18.752 -11.227 21.115 1.00 0.00 ATOM 224 CG TYR A 30 -18.981 -12.270 20.046 1.00 0.00 ATOM 225 CD1 TYR A 30 -20.125 -13.058 20.056 1.00 0.00 ATOM 226 CD2 TYR A 30 -18.054 -12.462 19.030 1.00 0.00 ATOM 227 CE1 TYR A 30 -20.343 -14.014 19.081 1.00 0.00 ATOM 228 CE2 TYR A 30 -18.256 -13.412 18.047 1.00 0.00 ATOM 229 CZ TYR A 30 -19.412 -14.191 18.080 1.00 0.00 ATOM 230 OH TYR A 30 -19.627 -15.142 17.109 1.00 0.00 ATOM 231 O TYR A 30 -18.344 -9.931 23.781 1.00 0.00 ATOM 232 C TYR A 30 -17.505 -10.525 23.113 1.00 0.00 ATOM 233 N PRO A 31 -16.213 -10.139 23.050 1.00 0.00 ATOM 234 CA PRO A 31 -15.816 -8.914 23.747 1.00 0.00 ATOM 235 CB PRO A 31 -14.297 -9.041 23.886 1.00 0.00 ATOM 236 CG PRO A 31 -13.886 -9.884 22.726 1.00 0.00 ATOM 237 CD PRO A 31 -15.014 -10.849 22.492 1.00 0.00 ATOM 238 O PRO A 31 -16.285 -7.841 21.649 1.00 0.00 ATOM 239 C PRO A 31 -16.297 -7.756 22.879 1.00 0.00 ATOM 240 N ASN A 32 -16.817 -6.691 23.530 1.00 0.00 ATOM 241 CA ASN A 32 -17.201 -5.454 22.867 1.00 0.00 ATOM 242 CB ASN A 32 -18.694 -5.333 23.178 1.00 0.00 ATOM 243 CG ASN A 32 -19.488 -6.533 22.699 1.00 0.00 ATOM 244 ND2 ASN A 32 -19.939 -6.483 21.450 1.00 0.00 ATOM 245 OD1 ASN A 32 -19.690 -7.492 23.443 1.00 0.00 ATOM 246 O ASN A 32 -16.292 -4.167 24.642 1.00 0.00 ATOM 247 C ASN A 32 -16.307 -4.364 23.430 1.00 0.00 ATOM 248 N ILE A 33 -15.544 -3.670 22.559 1.00 0.00 ATOM 249 CA ILE A 33 -14.691 -2.574 22.990 1.00 0.00 ATOM 250 CB ILE A 33 -13.267 -2.771 22.418 1.00 0.00 ATOM 251 CG1 ILE A 33 -12.623 -4.046 23.030 1.00 0.00 ATOM 252 CG2 ILE A 33 -12.407 -1.498 22.688 1.00 0.00 ATOM 253 CD1 ILE A 33 -11.352 -4.459 22.351 1.00 0.00 ATOM 254 O ILE A 33 -15.430 -1.160 21.208 1.00 0.00 ATOM 255 C ILE A 33 -15.264 -1.288 22.421 1.00 0.00 ATOM 256 N LYS A 34 -15.667 -0.325 23.284 1.00 0.00 ATOM 257 CA LYS A 34 -16.230 0.939 22.845 1.00 0.00 ATOM 258 CB LYS A 34 -17.708 0.960 23.238 1.00 0.00 ATOM 259 CG LYS A 34 -18.561 -0.061 22.505 1.00 0.00 ATOM 260 CD LYS A 34 -20.030 0.078 22.875 1.00 0.00 ATOM 261 CE LYS A 34 -20.883 -0.942 22.139 1.00 0.00 ATOM 262 NZ LYS A 34 -22.321 -0.839 22.515 1.00 0.00 ATOM 263 O LYS A 34 -15.130 2.041 24.669 1.00 0.00 ATOM 264 C LYS A 34 -15.521 2.128 23.509 1.00 0.00 ATOM 265 N ALA A 35 -15.309 3.226 22.760 1.00 0.00 ATOM 266 CA ALA A 35 -14.762 4.432 23.377 1.00 0.00 ATOM 267 CB ALA A 35 -14.403 5.456 22.311 1.00 0.00 ATOM 268 O ALA A 35 -16.930 5.147 24.060 1.00 0.00 ATOM 269 C ALA A 35 -15.769 5.035 24.348 1.00 0.00 ATOM 270 N MET A 36 -15.258 5.563 25.424 1.00 0.00 ATOM 271 CA MET A 36 -16.079 6.240 26.435 1.00 0.00 ATOM 272 CB MET A 36 -16.244 5.178 27.525 1.00 0.00 ATOM 273 CG MET A 36 -16.987 3.934 27.073 1.00 0.00 ATOM 274 SD MET A 36 -18.734 4.247 26.746 1.00 0.00 ATOM 275 CE MET A 36 -19.358 4.454 28.412 1.00 0.00 ATOM 276 O MET A 36 -14.238 7.545 27.201 1.00 0.00 ATOM 277 C MET A 36 -15.454 7.480 27.037 1.00 0.00 ATOM 278 N MET A 37 -16.279 8.453 27.423 1.00 0.00 ATOM 279 CA MET A 37 -15.723 9.602 28.121 1.00 0.00 ATOM 280 CB MET A 37 -16.726 10.757 28.135 1.00 0.00 ATOM 281 CG MET A 37 -17.076 11.292 26.755 1.00 0.00 ATOM 282 SD MET A 37 -15.635 11.900 25.857 1.00 0.00 ATOM 283 CE MET A 37 -15.212 13.340 26.837 1.00 0.00 ATOM 284 O MET A 37 -16.219 8.435 30.132 1.00 0.00 ATOM 285 C MET A 37 -15.422 9.153 29.535 1.00 0.00 ATOM 286 N ARG A 38 -14.263 9.562 30.038 1.00 0.00 ATOM 287 CA ARG A 38 -13.834 9.299 31.399 1.00 0.00 ATOM 288 CB ARG A 38 -12.570 9.175 31.716 1.00 0.00 ATOM 289 CG ARG A 38 -11.378 9.806 31.011 1.00 0.00 ATOM 290 CD ARG A 38 -10.155 9.782 31.920 1.00 0.00 ATOM 291 NE ARG A 38 -10.440 10.464 33.182 1.00 0.00 ATOM 292 CZ ARG A 38 -10.704 11.762 33.288 1.00 0.00 ATOM 293 NH1 ARG A 38 -10.713 12.535 32.207 1.00 0.00 ATOM 294 NH2 ARG A 38 -10.988 12.290 34.472 1.00 0.00 ATOM 295 O ARG A 38 -14.048 11.569 32.143 1.00 0.00 ATOM 296 C ARG A 38 -14.438 10.397 32.269 1.00 0.00 ATOM 297 N LEU A 39 -15.390 10.050 33.134 1.00 0.00 ATOM 298 CA LEU A 39 -16.021 11.112 33.908 1.00 0.00 ATOM 299 CB LEU A 39 -17.448 10.751 34.296 1.00 0.00 ATOM 300 CG LEU A 39 -18.447 10.641 33.138 1.00 0.00 ATOM 301 CD1 LEU A 39 -19.814 10.267 33.683 1.00 0.00 ATOM 302 CD2 LEU A 39 -18.520 11.952 32.361 1.00 0.00 ATOM 303 O LEU A 39 -15.063 12.608 35.538 1.00 0.00 ATOM 304 C LEU A 39 -15.211 11.441 35.170 1.00 0.00 ATOM 305 N LYS A 40 -14.612 10.417 35.763 1.00 0.00 ATOM 306 CA LYS A 40 -13.728 10.577 36.908 1.00 0.00 ATOM 307 CB LYS A 40 -14.581 10.895 38.157 1.00 0.00 ATOM 308 CG LYS A 40 -15.315 12.230 38.076 1.00 0.00 ATOM 309 CD LYS A 40 -16.345 12.396 39.187 1.00 0.00 ATOM 310 CE LYS A 40 -15.706 12.431 40.565 1.00 0.00 ATOM 311 NZ LYS A 40 -16.748 12.567 41.624 1.00 0.00 ATOM 312 O LYS A 40 -13.183 8.285 36.558 1.00 0.00 ATOM 313 C LYS A 40 -12.853 9.335 37.061 1.00 0.00 ATOM 314 N HIS A 41 -11.746 9.473 37.778 1.00 0.00 ATOM 315 CA HIS A 41 -10.883 8.344 38.108 1.00 0.00 ATOM 316 CB HIS A 41 -9.826 8.133 37.023 1.00 0.00 ATOM 317 CG HIS A 41 -8.856 9.267 36.896 1.00 0.00 ATOM 318 CD2 HIS A 41 -7.527 9.558 37.415 1.00 0.00 ATOM 319 ND1 HIS A 41 -9.118 10.391 36.145 1.00 0.00 ATOM 320 CE1 HIS A 41 -8.067 11.226 36.223 1.00 0.00 ATOM 321 NE2 HIS A 41 -7.109 10.733 36.984 1.00 0.00 ATOM 322 O HIS A 41 -9.832 9.724 39.768 1.00 0.00 ATOM 323 C HIS A 41 -10.165 8.582 39.434 1.00 0.00 ATOM 324 N ASP A 42 -9.950 7.506 40.177 1.00 0.00 ATOM 325 CA ASP A 42 -9.177 7.533 41.417 1.00 0.00 ATOM 326 CB ASP A 42 -10.033 7.245 42.631 1.00 0.00 ATOM 327 CG ASP A 42 -9.382 7.544 43.981 1.00 0.00 ATOM 328 OD1 ASP A 42 -8.252 8.071 43.985 1.00 0.00 ATOM 329 OD2 ASP A 42 -10.023 7.314 45.016 1.00 0.00 ATOM 330 O ASP A 42 -8.271 5.330 41.109 1.00 0.00 ATOM 331 C ASP A 42 -8.112 6.545 41.055 1.00 0.00 ATOM 332 N GLY A 43 -6.943 7.073 40.639 1.00 0.00 ATOM 333 CA GLY A 43 -5.849 6.246 40.252 1.00 0.00 ATOM 334 O GLY A 43 -6.630 5.690 38.093 1.00 0.00 ATOM 335 C GLY A 43 -6.217 5.263 39.166 1.00 0.00 ATOM 336 N LEU A 44 -6.109 3.963 39.443 1.00 0.00 ATOM 337 CA LEU A 44 -6.314 2.904 38.498 1.00 0.00 ATOM 338 CB LEU A 44 -5.342 1.747 38.815 1.00 0.00 ATOM 339 CG LEU A 44 -3.860 2.138 38.815 1.00 0.00 ATOM 340 CD1 LEU A 44 -3.015 0.919 39.111 1.00 0.00 ATOM 341 CD2 LEU A 44 -3.472 2.726 37.451 1.00 0.00 ATOM 342 O LEU A 44 -8.004 1.339 37.850 1.00 0.00 ATOM 343 C LEU A 44 -7.751 2.354 38.492 1.00 0.00 ATOM 344 N LYS A 45 -7.341 2.824 40.060 1.00 0.00 ATOM 345 CA LYS A 45 -8.101 1.850 40.833 1.00 0.00 ATOM 346 CB LYS A 45 -7.902 2.085 42.317 1.00 0.00 ATOM 347 CG LYS A 45 -6.497 1.760 42.812 1.00 0.00 ATOM 348 CD LYS A 45 -6.345 2.182 44.277 1.00 0.00 ATOM 349 CE LYS A 45 -4.942 1.926 44.780 1.00 0.00 ATOM 350 NZ LYS A 45 -4.754 2.473 46.158 1.00 0.00 ATOM 351 O LYS A 45 -10.224 0.843 40.405 1.00 0.00 ATOM 352 C LYS A 45 -9.585 1.879 40.503 1.00 0.00 ATOM 353 N LYS A 46 -10.144 3.074 40.358 1.00 0.00 ATOM 354 CA LYS A 46 -11.569 3.208 40.100 1.00 0.00 ATOM 355 CB LYS A 46 -12.276 3.747 41.346 1.00 0.00 ATOM 356 CG LYS A 46 -12.232 2.807 42.541 1.00 0.00 ATOM 357 CD LYS A 46 -12.983 3.387 43.727 1.00 0.00 ATOM 358 CE LYS A 46 -12.870 2.488 44.946 1.00 0.00 ATOM 359 NZ LYS A 46 -13.597 3.047 46.119 1.00 0.00 ATOM 360 O LYS A 46 -11.162 5.279 38.952 1.00 0.00 ATOM 361 C LYS A 46 -11.747 4.194 38.951 1.00 0.00 ATOM 362 N PHE A 47 -12.548 3.808 38.009 1.00 0.00 ATOM 363 CA PHE A 47 -12.808 4.650 36.845 1.00 0.00 ATOM 364 CB PHE A 47 -12.186 4.077 35.586 1.00 0.00 ATOM 365 CG PHE A 47 -10.707 4.292 35.502 1.00 0.00 ATOM 366 CD1 PHE A 47 -9.820 3.309 35.927 1.00 0.00 ATOM 367 CD2 PHE A 47 -10.194 5.473 34.974 1.00 0.00 ATOM 368 CE1 PHE A 47 -8.445 3.496 35.825 1.00 0.00 ATOM 369 CE2 PHE A 47 -8.820 5.668 34.870 1.00 0.00 ATOM 370 CZ PHE A 47 -7.944 4.677 35.294 1.00 0.00 ATOM 371 O PHE A 47 -15.022 3.752 36.853 1.00 0.00 ATOM 372 C PHE A 47 -14.315 4.751 36.719 1.00 0.00 ATOM 373 N TRP A 48 -14.800 5.987 36.430 1.00 0.00 ATOM 374 CA TRP A 48 -16.236 6.234 36.344 1.00 0.00 ATOM 375 CB TRP A 48 -16.643 7.163 37.503 1.00 0.00 ATOM 376 CG TRP A 48 -16.542 6.528 38.827 1.00 0.00 ATOM 377 CD1 TRP A 48 -15.404 6.276 39.540 1.00 0.00 ATOM 378 CD2 TRP A 48 -17.623 6.011 39.595 1.00 0.00 ATOM 379 CE2 TRP A 48 -17.075 5.459 40.769 1.00 0.00 ATOM 380 CE3 TRP A 48 -19.010 5.959 39.401 1.00 0.00 ATOM 381 NE1 TRP A 48 -15.718 5.631 40.709 1.00 0.00 ATOM 382 CZ2 TRP A 48 -17.867 4.862 41.756 1.00 0.00 ATOM 383 CZ3 TRP A 48 -19.796 5.366 40.380 1.00 0.00 ATOM 384 CH2 TRP A 48 -19.220 4.826 41.543 1.00 0.00 ATOM 385 O TRP A 48 -16.038 7.559 34.384 1.00 0.00 ATOM 386 C TRP A 48 -16.634 6.645 34.945 1.00 0.00 ATOM 387 N LEU A 49 -17.665 5.995 34.413 1.00 0.00 ATOM 388 CA LEU A 49 -18.259 6.342 33.126 1.00 0.00 ATOM 389 CB LEU A 49 -17.939 5.265 32.089 1.00 0.00 ATOM 390 CG LEU A 49 -16.456 5.027 31.793 1.00 0.00 ATOM 391 CD1 LEU A 49 -16.274 3.806 30.906 1.00 0.00 ATOM 392 CD2 LEU A 49 -15.851 6.227 31.081 1.00 0.00 ATOM 393 O LEU A 49 -20.362 6.092 34.259 1.00 0.00 ATOM 394 C LEU A 49 -19.788 6.462 33.251 1.00 0.00 ATOM 395 N SER A 50 -20.440 6.989 32.226 1.00 0.00 ATOM 396 CA SER A 50 -21.893 7.032 32.241 1.00 0.00 ATOM 397 CB SER A 50 -22.387 8.480 32.227 1.00 0.00 ATOM 398 OG SER A 50 -22.003 9.139 31.033 1.00 0.00 ATOM 399 O SER A 50 -21.908 6.459 29.932 1.00 0.00 ATOM 400 C SER A 50 -22.511 6.415 30.999 1.00 0.00 ATOM 401 N THR A 51 -23.674 5.857 31.118 1.00 0.00 ATOM 402 CA THR A 51 -24.312 5.162 29.982 1.00 0.00 ATOM 403 CB THR A 51 -23.849 3.695 29.936 1.00 0.00 ATOM 404 CG2 THR A 51 -24.396 2.926 31.130 1.00 0.00 ATOM 405 OG1 THR A 51 -24.321 3.078 28.732 1.00 0.00 ATOM 406 O THR A 51 -26.266 5.771 31.254 1.00 0.00 ATOM 407 C THR A 51 -25.821 5.279 30.212 1.00 0.00 ATOM 408 N ASN A 52 -26.609 4.711 29.183 1.00 0.00 ATOM 409 CA ASN A 52 -28.057 4.627 29.308 1.00 0.00 ATOM 410 CB ASN A 52 -28.707 4.484 27.930 1.00 0.00 ATOM 411 CG ASN A 52 -28.681 5.777 27.140 1.00 0.00 ATOM 412 ND2 ASN A 52 -28.814 5.666 25.822 1.00 0.00 ATOM 413 OD1 ASN A 52 -28.545 6.861 27.706 1.00 0.00 ATOM 414 O ASN A 52 -27.828 2.352 30.069 1.00 0.00 ATOM 415 C ASN A 52 -28.480 3.401 30.109 1.00 0.00 ATOM 416 N THR A 53 -29.594 3.508 30.814 1.00 0.00 ATOM 417 CA THR A 53 -30.103 2.391 31.598 1.00 0.00 ATOM 418 CB THR A 53 -31.385 2.775 32.359 1.00 0.00 ATOM 419 CG2 THR A 53 -31.938 1.573 33.111 1.00 0.00 ATOM 420 OG1 THR A 53 -31.093 3.816 33.300 1.00 0.00 ATOM 421 O THR A 53 -30.473 0.064 31.212 1.00 0.00 ATOM 422 C THR A 53 -30.435 1.188 30.722 1.00 0.00 ATOM 423 N SER A 54 -30.679 1.428 29.428 1.00 0.00 ATOM 424 CA SER A 54 -30.992 0.342 28.479 1.00 0.00 ATOM 425 CB SER A 54 -32.251 0.676 27.678 1.00 0.00 ATOM 426 OG SER A 54 -32.079 1.867 26.930 1.00 0.00 ATOM 427 O SER A 54 -30.093 -0.840 26.612 1.00 0.00 ATOM 428 C SER A 54 -29.908 -0.032 27.503 1.00 0.00 ATOM 429 N THR A 55 -28.667 0.566 27.752 1.00 0.00 ATOM 430 CA THR A 55 -27.576 0.423 26.781 1.00 0.00 ATOM 431 CB THR A 55 -26.364 1.283 27.185 1.00 0.00 ATOM 432 CG2 THR A 55 -26.756 2.751 27.267 1.00 0.00 ATOM 433 OG1 THR A 55 -25.878 0.859 28.465 1.00 0.00 ATOM 434 O THR A 55 -27.329 -1.772 27.710 1.00 0.00 ATOM 435 C THR A 55 -27.134 -1.045 26.736 1.00 0.00 ATOM 436 N ARG A 56 -26.524 -1.460 25.625 1.00 0.00 ATOM 437 CA ARG A 56 -25.939 -2.799 25.524 1.00 0.00 ATOM 438 CB ARG A 56 -25.235 -2.976 24.178 1.00 0.00 ATOM 439 CG ARG A 56 -26.182 -3.072 22.991 1.00 0.00 ATOM 440 CD ARG A 56 -25.417 -3.172 21.681 1.00 0.00 ATOM 441 NE ARG A 56 -26.311 -3.237 20.528 1.00 0.00 ATOM 442 CZ ARG A 56 -25.901 -3.256 19.264 1.00 0.00 ATOM 443 NH1 ARG A 56 -26.789 -3.316 18.281 1.00 0.00 ATOM 444 NH2 ARG A 56 -24.606 -3.215 18.987 1.00 0.00 ATOM 445 O ARG A 56 -24.834 -4.144 27.173 1.00 0.00 ATOM 446 C ARG A 56 -24.905 -3.052 26.629 1.00 0.00 ATOM 447 N MET A 57 -24.096 -2.044 26.949 1.00 0.00 ATOM 448 CA MET A 57 -23.146 -2.149 28.058 1.00 0.00 ATOM 449 CB MET A 57 -22.395 -0.830 28.246 1.00 0.00 ATOM 450 CG MET A 57 -21.423 -0.504 27.123 1.00 0.00 ATOM 451 SD MET A 57 -20.656 1.117 27.316 1.00 0.00 ATOM 452 CE MET A 57 -19.627 0.836 28.755 1.00 0.00 ATOM 453 O MET A 57 -23.437 -3.381 30.108 1.00 0.00 ATOM 454 C MET A 57 -23.848 -2.468 29.381 1.00 0.00 ATOM 455 N VAL A 58 -24.915 -1.724 29.699 1.00 0.00 ATOM 456 CA VAL A 58 -25.669 -2.011 30.915 1.00 0.00 ATOM 457 CB VAL A 58 -26.871 -1.061 31.068 1.00 0.00 ATOM 458 CG1 VAL A 58 -27.762 -1.510 32.217 1.00 0.00 ATOM 459 CG2 VAL A 58 -26.397 0.356 31.354 1.00 0.00 ATOM 460 O VAL A 58 -26.063 -4.160 31.884 1.00 0.00 ATOM 461 C VAL A 58 -26.183 -3.439 30.891 1.00 0.00 ATOM 462 N GLU A 59 -26.788 -3.860 29.769 1.00 0.00 ATOM 463 CA GLU A 59 -27.322 -5.215 29.662 1.00 0.00 ATOM 464 CB GLU A 59 -27.911 -5.447 28.269 1.00 0.00 ATOM 465 CG GLU A 59 -28.549 -6.815 28.084 1.00 0.00 ATOM 466 CD GLU A 59 -29.151 -6.994 26.705 1.00 0.00 ATOM 467 OE1 GLU A 59 -29.081 -6.046 25.896 1.00 0.00 ATOM 468 OE2 GLU A 59 -29.693 -8.087 26.431 1.00 0.00 ATOM 469 O GLU A 59 -26.518 -7.269 30.578 1.00 0.00 ATOM 470 C GLU A 59 -26.265 -6.285 29.882 1.00 0.00 ATOM 471 N ARG A 60 -25.068 -6.105 29.307 1.00 0.00 ATOM 472 CA ARG A 60 -23.981 -7.072 29.460 1.00 0.00 ATOM 473 CB ARG A 60 -22.743 -6.633 28.677 1.00 0.00 ATOM 474 CG ARG A 60 -22.885 -6.759 27.167 1.00 0.00 ATOM 475 CD ARG A 60 -21.576 -6.449 26.462 1.00 0.00 ATOM 476 NE ARG A 60 -21.712 -6.507 25.008 1.00 0.00 ATOM 477 CZ ARG A 60 -22.017 -5.464 24.245 1.00 0.00 ATOM 478 NH1 ARG A 60 -22.119 -5.611 22.930 1.00 0.00 ATOM 479 NH2 ARG A 60 -22.220 -4.274 24.796 1.00 0.00 ATOM 480 O ARG A 60 -23.379 -8.239 31.467 1.00 0.00 ATOM 481 C ARG A 60 -23.512 -7.148 30.914 1.00 0.00 ATOM 482 N LEU A 61 -23.291 -5.982 31.532 1.00 0.00 ATOM 483 CA LEU A 61 -22.811 -5.965 32.913 1.00 0.00 ATOM 484 CB LEU A 61 -22.395 -4.541 33.288 1.00 0.00 ATOM 485 CG LEU A 61 -21.236 -3.940 32.489 1.00 0.00 ATOM 486 CD1 LEU A 61 -21.009 -2.489 32.882 1.00 0.00 ATOM 487 CD2 LEU A 61 -19.950 -4.710 32.748 1.00 0.00 ATOM 488 O LEU A 61 -23.419 -7.075 34.940 1.00 0.00 ATOM 489 C LEU A 61 -23.807 -6.514 33.909 1.00 0.00 ATOM 490 N LYS A 62 -25.111 -6.323 33.640 1.00 0.00 ATOM 491 CA LYS A 62 -26.120 -6.857 34.577 1.00 0.00 ATOM 492 CB LYS A 62 -27.507 -6.507 34.033 1.00 0.00 ATOM 493 CG LYS A 62 -28.654 -6.977 34.912 1.00 0.00 ATOM 494 CD LYS A 62 -29.995 -6.524 34.360 1.00 0.00 ATOM 495 CE LYS A 62 -31.142 -6.979 35.248 1.00 0.00 ATOM 496 NZ LYS A 62 -32.462 -6.539 34.720 1.00 0.00 ATOM 497 O LYS A 62 -26.318 -8.890 35.832 1.00 0.00 ATOM 498 C LYS A 62 -25.993 -8.363 34.767 1.00 0.00 ATOM 499 N LYS A 63 -25.341 -9.047 33.693 1.00 0.00 ATOM 500 CA LYS A 63 -25.171 -10.495 33.764 1.00 0.00 ATOM 501 CB LYS A 63 -25.751 -11.160 32.514 1.00 0.00 ATOM 502 CG LYS A 63 -27.244 -10.940 32.330 1.00 0.00 ATOM 503 CD LYS A 63 -27.759 -11.651 31.090 1.00 0.00 ATOM 504 CE LYS A 63 -29.252 -11.437 30.910 1.00 0.00 ATOM 505 NZ LYS A 63 -29.753 -12.046 29.647 1.00 0.00 ATOM 506 O LYS A 63 -23.469 -12.072 34.373 1.00 0.00 ATOM 507 C LYS A 63 -23.718 -10.974 33.882 1.00 0.00 ATOM 508 N ASN A 64 -22.756 -10.146 33.461 1.00 0.00 ATOM 509 CA ASN A 64 -21.355 -10.498 33.579 1.00 0.00 ATOM 510 CB ASN A 64 -20.833 -11.036 32.245 1.00 0.00 ATOM 511 CG ASN A 64 -19.414 -11.560 32.342 1.00 0.00 ATOM 512 ND2 ASN A 64 -19.021 -12.384 31.378 1.00 0.00 ATOM 513 OD1 ASN A 64 -18.682 -11.227 33.275 1.00 0.00 ATOM 514 O ASN A 64 -20.389 -8.391 33.133 1.00 0.00 ATOM 515 C ASN A 64 -20.569 -9.256 33.965 1.00 0.00 ATOM 516 N ASN A 65 -20.101 -9.165 35.226 1.00 0.00 ATOM 517 CA ASN A 65 -19.383 -7.971 35.664 1.00 0.00 ATOM 518 CB ASN A 65 -19.268 -7.946 37.190 1.00 0.00 ATOM 519 CG ASN A 65 -20.588 -7.636 37.868 1.00 0.00 ATOM 520 ND2 ASN A 65 -20.685 -7.967 39.150 1.00 0.00 ATOM 521 OD1 ASN A 65 -21.508 -7.106 37.245 1.00 0.00 ATOM 522 O ASN A 65 -17.391 -6.729 35.229 1.00 0.00 ATOM 523 C ASN A 65 -17.964 -7.811 35.112 1.00 0.00 ATOM 524 N LYS A 66 -17.392 -8.875 34.544 1.00 0.00 ATOM 525 CA LYS A 66 -16.005 -8.838 34.124 1.00 0.00 ATOM 526 CB LYS A 66 -15.558 -10.227 33.663 1.00 0.00 ATOM 527 CG LYS A 66 -14.082 -10.317 33.308 1.00 0.00 ATOM 528 CD LYS A 66 -13.687 -11.739 32.947 1.00 0.00 ATOM 529 CE LYS A 66 -12.208 -11.832 32.609 1.00 0.00 ATOM 530 NZ LYS A 66 -11.806 -13.222 32.255 1.00 0.00 ATOM 531 O LYS A 66 -16.486 -7.915 31.953 1.00 0.00 ATOM 532 C LYS A 66 -15.778 -7.866 32.970 1.00 0.00 ATOM 533 N ILE A 67 -14.784 -6.999 33.161 1.00 0.00 ATOM 534 CA ILE A 67 -14.514 -5.892 32.243 1.00 0.00 ATOM 535 CB ILE A 67 -15.059 -4.695 32.219 1.00 0.00 ATOM 536 CG1 ILE A 67 -16.242 -4.857 31.254 1.00 0.00 ATOM 537 CG2 ILE A 67 -14.094 -3.640 31.690 1.00 0.00 ATOM 538 CD1 ILE A 67 -17.248 -3.722 31.339 1.00 0.00 ATOM 539 O ILE A 67 -12.151 -6.145 32.686 1.00 0.00 ATOM 540 C ILE A 67 -13.035 -5.688 31.940 1.00 0.00 ATOM 541 N CYS A 68 -12.777 -4.987 30.831 1.00 0.00 ATOM 542 CA CYS A 68 -11.442 -4.587 30.431 1.00 0.00 ATOM 543 CB CYS A 68 -10.969 -5.455 29.265 1.00 0.00 ATOM 544 SG CYS A 68 -9.304 -5.070 28.673 1.00 0.00 ATOM 545 O CYS A 68 -12.500 -2.660 29.469 1.00 0.00 ATOM 546 C CYS A 68 -11.495 -3.124 30.017 1.00 0.00 ATOM 547 N LEU A 69 -10.435 -2.391 30.309 1.00 0.00 ATOM 548 CA LEU A 69 -10.390 -0.961 30.016 1.00 0.00 ATOM 549 CB LEU A 69 -10.741 -0.137 31.257 1.00 0.00 ATOM 550 CG LEU A 69 -10.663 1.384 31.105 1.00 0.00 ATOM 551 CD1 LEU A 69 -11.721 1.881 30.133 1.00 0.00 ATOM 552 CD2 LEU A 69 -10.888 2.068 32.444 1.00 0.00 ATOM 553 O LEU A 69 -7.998 -0.971 30.259 1.00 0.00 ATOM 554 C LEU A 69 -8.969 -0.603 29.589 1.00 0.00 ATOM 555 N TYR A 70 -8.832 0.097 28.485 1.00 0.00 ATOM 556 CA TYR A 70 -7.520 0.504 27.985 1.00 0.00 ATOM 557 CB TYR A 70 -7.107 -0.394 26.814 1.00 0.00 ATOM 558 CG TYR A 70 -7.893 -0.234 25.569 1.00 0.00 ATOM 559 CD1 TYR A 70 -7.438 0.593 24.562 1.00 0.00 ATOM 560 CD2 TYR A 70 -9.059 -1.032 25.308 1.00 0.00 ATOM 561 CE1 TYR A 70 -8.164 0.767 23.389 1.00 0.00 ATOM 562 CE2 TYR A 70 -9.780 -0.829 24.161 1.00 0.00 ATOM 563 CZ TYR A 70 -9.289 0.000 23.180 1.00 0.00 ATOM 564 OH TYR A 70 -10.030 0.136 22.041 1.00 0.00 ATOM 565 O TYR A 70 -8.594 2.586 27.386 1.00 0.00 ATOM 566 C TYR A 70 -7.531 1.979 27.618 1.00 0.00 ATOM 567 N PHE A 71 -6.344 2.563 27.620 1.00 0.00 ATOM 568 CA PHE A 71 -6.179 3.955 27.264 1.00 0.00 ATOM 569 CB PHE A 71 -6.407 4.851 28.483 1.00 0.00 ATOM 570 CG PHE A 71 -5.409 4.640 29.584 1.00 0.00 ATOM 571 CD1 PHE A 71 -4.261 5.411 29.658 1.00 0.00 ATOM 572 CD2 PHE A 71 -5.616 3.670 30.550 1.00 0.00 ATOM 573 CE1 PHE A 71 -3.344 5.217 30.672 1.00 0.00 ATOM 574 CE2 PHE A 71 -4.698 3.477 31.566 1.00 0.00 ATOM 575 CZ PHE A 71 -3.565 4.245 31.628 1.00 0.00 ATOM 576 O PHE A 71 -3.890 3.240 26.959 1.00 0.00 ATOM 577 C PHE A 71 -4.753 4.107 26.728 1.00 0.00 ATOM 578 N VAL A 72 -4.548 5.161 25.955 1.00 0.00 ATOM 579 CA VAL A 72 -3.299 5.314 25.190 1.00 0.00 ATOM 580 CB VAL A 72 -3.453 4.869 23.724 1.00 0.00 ATOM 581 CG1 VAL A 72 -4.525 5.693 23.027 1.00 0.00 ATOM 582 CG2 VAL A 72 -2.143 5.049 22.972 1.00 0.00 ATOM 583 O VAL A 72 -3.652 7.695 25.020 1.00 0.00 ATOM 584 C VAL A 72 -2.846 6.777 25.200 1.00 0.00 ATOM 585 N ASP A 73 -1.557 6.989 25.443 1.00 0.00 ATOM 586 CA ASP A 73 -0.973 8.323 25.336 1.00 0.00 ATOM 587 CB ASP A 73 -0.858 8.979 26.714 1.00 0.00 ATOM 588 CG ASP A 73 -0.488 10.447 26.631 1.00 0.00 ATOM 589 OD1 ASP A 73 -0.588 11.022 25.528 1.00 0.00 ATOM 590 OD2 ASP A 73 -0.098 11.021 27.669 1.00 0.00 ATOM 591 O ASP A 73 1.229 7.366 25.332 1.00 0.00 ATOM 592 C ASP A 73 0.369 7.979 24.702 1.00 0.00 ATOM 593 N ASP A 74 0.436 8.393 23.373 1.00 0.00 ATOM 594 CA ASP A 74 1.678 8.189 22.618 1.00 0.00 ATOM 595 CB ASP A 74 2.689 9.165 23.082 1.00 0.00 ATOM 596 CG ASP A 74 2.329 10.508 22.474 1.00 0.00 ATOM 597 OD1 ASP A 74 2.181 10.582 21.237 1.00 0.00 ATOM 598 OD2 ASP A 74 2.192 11.490 23.235 1.00 0.00 ATOM 599 O ASP A 74 3.147 6.599 23.653 1.00 0.00 ATOM 600 C ASP A 74 2.168 6.774 22.938 1.00 0.00 ATOM 601 N ASN A 75 1.509 5.764 22.371 1.00 0.00 ATOM 602 CA ASN A 75 1.888 4.381 22.615 1.00 0.00 ATOM 603 CB ASN A 75 0.436 3.784 21.649 1.00 0.00 ATOM 604 CG ASN A 75 1.105 3.301 20.357 1.00 0.00 ATOM 605 ND2 ASN A 75 1.375 4.228 19.447 1.00 0.00 ATOM 606 OD1 ASN A 75 1.406 2.110 20.200 1.00 0.00 ATOM 607 O ASN A 75 3.870 3.049 22.606 1.00 0.00 ATOM 608 C ASN A 75 3.297 4.040 22.158 1.00 0.00 ATOM 609 N LYS A 76 3.854 4.852 21.267 1.00 0.00 ATOM 610 CA LYS A 76 5.213 4.610 20.805 1.00 0.00 ATOM 611 CB LYS A 76 5.593 5.493 19.654 1.00 0.00 ATOM 612 CG LYS A 76 4.731 5.310 18.423 1.00 0.00 ATOM 613 CD LYS A 76 5.145 6.280 17.330 1.00 0.00 ATOM 614 CE LYS A 76 4.291 6.123 16.085 1.00 0.00 ATOM 615 NZ LYS A 76 4.671 7.114 15.047 1.00 0.00 ATOM 616 O LYS A 76 7.093 3.999 22.177 1.00 0.00 ATOM 617 C LYS A 76 6.124 4.745 22.020 1.00 0.00 ATOM 618 N PHE A 77 5.780 5.685 22.897 1.00 0.00 ATOM 619 CA PHE A 77 6.566 5.916 24.106 1.00 0.00 ATOM 620 CB PHE A 77 6.487 7.390 24.532 1.00 0.00 ATOM 621 CG PHE A 77 7.196 8.341 23.601 1.00 0.00 ATOM 622 CD1 PHE A 77 7.981 7.876 22.549 1.00 0.00 ATOM 623 CD2 PHE A 77 7.079 9.716 23.785 1.00 0.00 ATOM 624 CE1 PHE A 77 8.637 8.768 21.700 1.00 0.00 ATOM 625 CE2 PHE A 77 7.731 10.614 22.944 1.00 0.00 ATOM 626 CZ PHE A 77 8.511 10.139 21.899 1.00 0.00 ATOM 627 O PHE A 77 6.902 4.335 25.872 1.00 0.00 ATOM 628 C PHE A 77 6.099 5.036 25.260 1.00 0.00 ATOM 629 N ALA A 78 3.417 5.837 25.581 1.00 0.00 ATOM 630 CA ALA A 78 3.140 4.647 26.382 1.00 0.00 ATOM 631 CB ALA A 78 3.547 4.895 27.824 1.00 0.00 ATOM 632 O ALA A 78 0.784 5.048 26.117 1.00 0.00 ATOM 633 C ALA A 78 1.669 4.237 26.385 1.00 0.00 ATOM 634 N GLY A 79 1.425 2.967 26.707 1.00 0.00 ATOM 635 CA GLY A 79 0.063 2.459 26.757 1.00 0.00 ATOM 636 O GLY A 79 0.730 1.186 28.680 1.00 0.00 ATOM 637 C GLY A 79 -0.198 1.661 28.022 1.00 0.00 ATOM 638 N LEU A 80 -1.472 1.517 28.365 1.00 0.00 ATOM 639 CA LEU A 80 -1.870 0.762 29.545 1.00 0.00 ATOM 640 CB LEU A 80 -2.169 1.720 30.701 1.00 0.00 ATOM 641 CG LEU A 80 -2.586 1.031 32.008 1.00 0.00 ATOM 642 CD1 LEU A 80 -1.438 0.197 32.541 1.00 0.00 ATOM 643 CD2 LEU A 80 -3.011 2.072 33.034 1.00 0.00 ATOM 644 O LEU A 80 -4.112 0.641 28.688 1.00 0.00 ATOM 645 C LEU A 80 -3.197 0.049 29.292 1.00 0.00 ATOM 646 N MET A 81 -3.291 -1.199 29.698 1.00 0.00 ATOM 647 CA MET A 81 -4.538 -1.955 29.541 1.00 0.00 ATOM 648 CB MET A 81 -4.371 -2.977 28.415 1.00 0.00 ATOM 649 CG MET A 81 -5.596 -3.846 28.178 1.00 0.00 ATOM 650 SD MET A 81 -5.375 -5.002 26.814 1.00 0.00 ATOM 651 CE MET A 81 -5.499 -3.896 25.409 1.00 0.00 ATOM 652 O MET A 81 -3.868 -3.251 31.424 1.00 0.00 ATOM 653 C MET A 81 -4.771 -2.596 30.896 1.00 0.00 ATOM 654 N LEU A 82 -5.921 -2.400 31.438 1.00 0.00 ATOM 655 CA LEU A 82 -6.272 -2.942 32.745 1.00 0.00 ATOM 656 CB LEU A 82 -6.772 -1.783 33.607 1.00 0.00 ATOM 657 CG LEU A 82 -5.810 -0.605 33.784 1.00 0.00 ATOM 658 CD1 LEU A 82 -6.463 0.506 34.590 1.00 0.00 ATOM 659 CD2 LEU A 82 -4.551 -1.047 34.515 1.00 0.00 ATOM 660 O LEU A 82 -8.208 -3.927 31.743 1.00 0.00 ATOM 661 C LEU A 82 -7.347 -3.979 32.639 1.00 0.00 ATOM 662 N VAL A 83 -7.292 -4.946 33.537 1.00 0.00 ATOM 663 CA VAL A 83 -8.368 -5.899 33.675 1.00 0.00 ATOM 664 CB VAL A 83 -7.858 -7.346 33.532 1.00 0.00 ATOM 665 CG1 VAL A 83 -8.992 -8.334 33.757 1.00 0.00 ATOM 666 CG2 VAL A 83 -7.289 -7.576 32.141 1.00 0.00 ATOM 667 O VAL A 83 -8.268 -5.302 35.991 1.00 0.00 ATOM 668 C VAL A 83 -8.971 -5.699 35.069 1.00 0.00 ATOM 669 N GLY A 84 -10.382 -5.901 35.165 1.00 0.00 ATOM 670 CA GLY A 84 -11.131 -5.719 36.392 1.00 0.00 ATOM 671 O GLY A 84 -13.033 -6.804 35.413 1.00 0.00 ATOM 672 C GLY A 84 -12.605 -6.012 36.260 1.00 0.00 ATOM 673 N THR A 85 -13.392 -5.387 37.128 1.00 0.00 ATOM 674 CA THR A 85 -14.819 -5.591 37.092 1.00 0.00 ATOM 675 CB THR A 85 -15.312 -6.359 38.333 1.00 0.00 ATOM 676 CG2 THR A 85 -14.618 -7.710 38.433 1.00 0.00 ATOM 677 OG1 THR A 85 -15.022 -5.601 39.514 1.00 0.00 ATOM 678 O THR A 85 -15.095 -3.302 37.641 1.00 0.00 ATOM 679 C THR A 85 -15.558 -4.269 37.050 1.00 0.00 ATOM 680 N ILE A 86 -16.744 -4.303 36.426 1.00 0.00 ATOM 681 CA ILE A 86 -17.654 -3.151 36.434 1.00 0.00 ATOM 682 CB ILE A 86 -18.059 -2.743 35.005 1.00 0.00 ATOM 683 CG1 ILE A 86 -16.834 -2.290 34.210 1.00 0.00 ATOM 684 CG2 ILE A 86 -19.062 -1.600 35.042 1.00 0.00 ATOM 685 CD1 ILE A 86 -17.104 -2.091 32.735 1.00 0.00 ATOM 686 O ILE A 86 -19.457 -4.561 37.161 1.00 0.00 ATOM 687 C ILE A 86 -18.947 -3.431 37.185 1.00 0.00 ATOM 688 N GLU A 87 -19.470 -2.396 37.844 1.00 0.00 ATOM 689 CA GLU A 87 -20.801 -2.450 38.470 1.00 0.00 ATOM 690 CB GLU A 87 -20.690 -2.258 39.982 1.00 0.00 ATOM 691 CG GLU A 87 -22.061 -2.049 40.640 1.00 0.00 ATOM 692 CD GLU A 87 -21.991 -1.518 42.065 1.00 0.00 ATOM 693 OE1 GLU A 87 -21.558 -0.362 42.271 1.00 0.00 ATOM 694 OE2 GLU A 87 -22.383 -2.254 42.984 1.00 0.00 ATOM 695 O GLU A 87 -21.138 -0.139 37.939 1.00 0.00 ATOM 696 C GLU A 87 -21.645 -1.254 38.057 1.00 0.00 ATOM 697 N ILE A 88 -22.905 -1.508 37.814 1.00 0.00 ATOM 698 CA ILE A 88 -23.838 -0.452 37.441 1.00 0.00 ATOM 699 CB ILE A 88 -25.002 -1.124 36.688 1.00 0.00 ATOM 700 CG1 ILE A 88 -24.478 -1.874 35.461 1.00 0.00 ATOM 701 CG2 ILE A 88 -26.008 -0.082 36.224 1.00 0.00 ATOM 702 CD1 ILE A 88 -25.517 -2.749 34.793 1.00 0.00 ATOM 703 O ILE A 88 -24.902 -0.326 39.584 1.00 0.00 ATOM 704 C ILE A 88 -24.363 0.301 38.660 1.00 0.00 ATOM 705 N LEU A 89 -24.173 1.619 38.696 1.00 0.00 ATOM 706 CA LEU A 89 -24.584 2.360 39.876 1.00 0.00 ATOM 707 CB LEU A 89 -23.421 3.196 40.416 1.00 0.00 ATOM 708 CG LEU A 89 -23.711 4.034 41.662 1.00 0.00 ATOM 709 CD1 LEU A 89 -23.974 3.137 42.863 1.00 0.00 ATOM 710 CD2 LEU A 89 -22.528 4.933 41.992 1.00 0.00 ATOM 711 O LEU A 89 -25.791 3.963 38.549 1.00 0.00 ATOM 712 C LEU A 89 -25.741 3.318 39.592 1.00 0.00 ATOM 713 N HIS A 90 -26.718 3.323 40.495 1.00 0.00 ATOM 714 CA HIS A 90 -27.894 4.168 40.312 1.00 0.00 ATOM 715 CB HIS A 90 -29.111 3.316 39.982 1.00 0.00 ATOM 716 CG HIS A 90 -29.546 2.390 41.087 1.00 0.00 ATOM 717 CD2 HIS A 90 -30.165 2.635 42.272 1.00 0.00 ATOM 718 ND1 HIS A 90 -29.364 1.026 41.034 1.00 0.00 ATOM 719 CE1 HIS A 90 -29.844 0.467 42.133 1.00 0.00 ATOM 720 NE2 HIS A 90 -30.336 1.422 42.904 1.00 0.00 ATOM 721 O HIS A 90 -29.099 5.598 41.827 1.00 0.00 ATOM 722 C HIS A 90 -28.023 5.056 41.554 1.00 0.00 ATOM 723 N ASP A 91 -26.941 5.216 42.337 1.00 0.00 ATOM 724 CA ASP A 91 -27.020 5.992 43.579 1.00 0.00 ATOM 725 CB ASP A 91 -25.654 5.893 44.260 1.00 0.00 ATOM 726 CG ASP A 91 -25.578 6.708 45.536 1.00 0.00 ATOM 727 OD1 ASP A 91 -26.551 7.430 45.837 1.00 0.00 ATOM 728 OD2 ASP A 91 -24.546 6.624 46.235 1.00 0.00 ATOM 729 O ASP A 91 -26.392 8.099 42.583 1.00 0.00 ATOM 730 C ASP A 91 -27.248 7.470 43.209 1.00 0.00 ATOM 731 N ARG A 92 -28.399 8.014 43.614 1.00 0.00 ATOM 732 CA ARG A 92 -28.769 9.416 43.321 1.00 0.00 ATOM 733 CB ARG A 92 -30.076 9.756 44.112 1.00 0.00 ATOM 734 CG ARG A 92 -31.327 9.025 43.628 1.00 0.00 ATOM 735 CD ARG A 92 -32.598 9.642 44.213 1.00 0.00 ATOM 736 NE ARG A 92 -32.704 9.459 45.657 1.00 0.00 ATOM 737 CZ ARG A 92 -33.131 8.347 46.248 1.00 0.00 ATOM 738 NH1 ARG A 92 -33.503 7.301 45.521 1.00 0.00 ATOM 739 NH2 ARG A 92 -33.183 8.282 47.572 1.00 0.00 ATOM 740 O ARG A 92 -27.428 11.356 42.872 1.00 0.00 ATOM 741 C ARG A 92 -27.663 10.420 43.632 1.00 0.00 ATOM 742 N ALA A 93 -26.951 10.220 44.748 1.00 0.00 ATOM 743 CA ALA A 93 -25.869 11.101 45.159 1.00 0.00 ATOM 744 CB ALA A 93 -25.348 10.672 46.523 1.00 0.00 ATOM 745 O ALA A 93 -24.273 12.175 43.700 1.00 0.00 ATOM 746 C ALA A 93 -24.734 11.105 44.130 1.00 0.00 ATOM 747 N SER A 94 -24.277 9.915 43.710 1.00 0.00 ATOM 748 CA SER A 94 -23.207 9.869 42.730 1.00 0.00 ATOM 749 CB SER A 94 -22.738 8.420 42.591 1.00 0.00 ATOM 750 OG SER A 94 -22.222 7.931 43.817 1.00 0.00 ATOM 751 O SER A 94 -22.887 11.066 40.681 1.00 0.00 ATOM 752 C SER A 94 -23.654 10.397 41.372 1.00 0.00 ATOM 753 N LYS A 95 -24.923 10.081 40.969 1.00 0.00 ATOM 754 CA LYS A 95 -25.450 10.552 39.692 1.00 0.00 ATOM 755 CB LYS A 95 -26.922 10.147 39.583 1.00 0.00 ATOM 756 CG LYS A 95 -27.138 8.672 39.285 1.00 0.00 ATOM 757 CD LYS A 95 -28.617 8.345 39.166 1.00 0.00 ATOM 758 CE LYS A 95 -28.834 6.869 38.874 1.00 0.00 ATOM 759 NZ LYS A 95 -30.281 6.523 38.804 1.00 0.00 ATOM 760 O LYS A 95 -24.813 12.632 38.653 1.00 0.00 ATOM 761 C LYS A 95 -25.314 12.071 39.632 1.00 0.00 ATOM 762 N GLU A 96 -25.758 12.738 40.692 1.00 0.00 ATOM 763 CA GLU A 96 -25.707 14.182 40.785 1.00 0.00 ATOM 764 CB GLU A 96 -26.560 14.688 41.951 1.00 0.00 ATOM 765 CG GLU A 96 -28.046 14.404 41.800 1.00 0.00 ATOM 766 CD GLU A 96 -28.850 14.863 43.000 1.00 0.00 ATOM 767 OE1 GLU A 96 -28.238 15.348 43.975 1.00 0.00 ATOM 768 OE2 GLU A 96 -30.093 14.736 42.966 1.00 0.00 ATOM 769 O GLU A 96 -23.925 15.679 40.238 1.00 0.00 ATOM 770 C GLU A 96 -24.291 14.707 40.915 1.00 0.00 ATOM 771 N MET A 97 -23.437 14.086 41.731 1.00 0.00 ATOM 772 CA MET A 97 -22.055 14.562 41.873 1.00 0.00 ATOM 773 CB MET A 97 -21.332 13.747 42.946 1.00 0.00 ATOM 774 CG MET A 97 -21.829 14.000 44.360 1.00 0.00 ATOM 775 SD MET A 97 -21.663 15.726 44.856 1.00 0.00 ATOM 776 CE MET A 97 -19.880 15.885 44.937 1.00 0.00 ATOM 777 O MET A 97 -20.344 15.240 40.303 1.00 0.00 ATOM 778 C MET A 97 -21.230 14.420 40.581 1.00 0.00 ATOM 779 N LEU A 98 -21.544 13.403 39.784 1.00 0.00 ATOM 780 CA LEU A 98 -20.742 13.115 38.590 1.00 0.00 ATOM 781 CB LEU A 98 -20.629 11.378 38.709 1.00 0.00 ATOM 782 CG LEU A 98 -19.413 10.545 38.283 1.00 0.00 ATOM 783 CD1 LEU A 98 -19.426 9.203 39.004 1.00 0.00 ATOM 784 CD2 LEU A 98 -19.422 10.351 36.768 1.00 0.00 ATOM 785 O LEU A 98 -20.769 13.485 36.205 1.00 0.00 ATOM 786 C LEU A 98 -21.340 13.666 37.294 1.00 0.00 ATOM 787 N TRP A 99 -22.491 14.326 37.428 1.00 0.00 ATOM 788 CA TRP A 99 -23.171 14.931 36.295 1.00 0.00 ATOM 789 CB TRP A 99 -24.457 15.624 36.751 1.00 0.00 ATOM 790 CG TRP A 99 -25.264 16.192 35.622 1.00 0.00 ATOM 791 CD1 TRP A 99 -25.345 17.502 35.250 1.00 0.00 ATOM 792 CD2 TRP A 99 -26.105 15.464 34.719 1.00 0.00 ATOM 793 CE2 TRP A 99 -26.663 16.401 33.826 1.00 0.00 ATOM 794 CE3 TRP A 99 -26.441 14.115 34.576 1.00 0.00 ATOM 795 NE1 TRP A 99 -26.183 17.639 34.172 1.00 0.00 ATOM 796 CZ2 TRP A 99 -27.539 16.029 32.806 1.00 0.00 ATOM 797 CZ3 TRP A 99 -27.308 13.753 33.564 1.00 0.00 ATOM 798 CH2 TRP A 99 -27.848 14.702 32.691 1.00 0.00 ATOM 799 O TRP A 99 -21.650 16.803 36.311 1.00 0.00 ATOM 800 C TRP A 99 -22.277 15.978 35.632 1.00 0.00 ATOM 801 N THR A 100 -22.210 15.915 34.303 1.00 0.00 ATOM 802 CA THR A 100 -21.469 16.883 33.492 1.00 0.00 ATOM 803 CB THR A 100 -20.541 16.205 32.473 1.00 0.00 ATOM 804 CG2 THR A 100 -19.805 17.284 31.614 1.00 0.00 ATOM 805 OG1 THR A 100 -19.561 15.407 33.158 1.00 0.00 ATOM 806 O THR A 100 -23.481 17.028 32.282 1.00 0.00 ATOM 807 C THR A 100 -22.464 17.602 32.624 1.00 0.00 ATOM 808 N ASP A 101 -22.176 18.853 32.263 1.00 0.00 ATOM 809 CA ASP A 101 -23.080 19.619 31.405 1.00 0.00 ATOM 810 CB ASP A 101 -22.460 20.972 31.046 1.00 0.00 ATOM 811 CG ASP A 101 -22.451 21.936 32.215 1.00 0.00 ATOM 812 OD1 ASP A 101 -23.128 21.653 33.225 1.00 0.00 ATOM 813 OD2 ASP A 101 -21.764 22.976 32.120 1.00 0.00 ATOM 814 O ASP A 101 -24.528 19.005 29.629 1.00 0.00 ATOM 815 C ASP A 101 -23.400 18.927 30.104 1.00 0.00 ATOM 816 N GLY A 102 -22.411 18.241 29.526 1.00 0.00 ATOM 817 CA GLY A 102 -22.603 17.627 28.216 1.00 0.00 ATOM 818 O GLY A 102 -24.036 15.928 27.257 1.00 0.00 ATOM 819 C GLY A 102 -23.538 16.410 28.293 1.00 0.00 ATOM 820 N CYS A 103 -23.846 15.978 29.516 1.00 0.00 ATOM 821 CA CYS A 103 -24.861 14.920 29.755 1.00 0.00 ATOM 822 CB CYS A 103 -24.939 14.579 31.245 1.00 0.00 ATOM 823 SG CYS A 103 -23.446 13.811 31.915 1.00 0.00 ATOM 824 O CYS A 103 -27.124 14.435 29.127 1.00 0.00 ATOM 825 C CYS A 103 -26.274 15.310 29.319 1.00 0.00 ATOM 826 N GLU A 104 -26.535 16.612 29.174 1.00 0.00 ATOM 827 CA GLU A 104 -27.894 17.066 28.850 1.00 0.00 ATOM 828 CB GLU A 104 -27.946 18.593 28.775 1.00 0.00 ATOM 829 CG GLU A 104 -27.805 19.285 30.122 1.00 0.00 ATOM 830 CD GLU A 104 -27.738 20.795 29.996 1.00 0.00 ATOM 831 OE1 GLU A 104 -27.727 21.296 28.853 1.00 0.00 ATOM 832 OE2 GLU A 104 -27.696 21.476 31.042 1.00 0.00 ATOM 833 O GLU A 104 -29.484 16.139 27.318 1.00 0.00 ATOM 834 C GLU A 104 -28.329 16.527 27.494 1.00 0.00 ATOM 835 N ILE A 105 -27.415 16.495 26.526 1.00 0.00 ATOM 836 CA ILE A 105 -27.712 15.977 25.197 1.00 0.00 ATOM 837 CB ILE A 105 -26.447 16.033 24.322 1.00 0.00 ATOM 838 CG1 ILE A 105 -26.117 17.482 23.954 1.00 0.00 ATOM 839 CG2 ILE A 105 -26.652 15.245 23.037 1.00 0.00 ATOM 840 CD1 ILE A 105 -24.756 17.655 23.316 1.00 0.00 ATOM 841 O ILE A 105 -28.898 14.044 24.463 1.00 0.00 ATOM 842 C ILE A 105 -28.074 14.528 25.238 1.00 0.00 ATOM 843 N TYR A 106 -27.549 13.729 26.293 1.00 0.00 ATOM 844 CA TYR A 106 -27.956 12.325 26.391 1.00 0.00 ATOM 845 CB TYR A 106 -26.668 11.627 26.832 1.00 0.00 ATOM 846 CG TYR A 106 -25.521 11.787 25.859 1.00 0.00 ATOM 847 CD1 TYR A 106 -24.505 12.703 26.100 1.00 0.00 ATOM 848 CD2 TYR A 106 -25.458 11.021 24.702 1.00 0.00 ATOM 849 CE1 TYR A 106 -23.453 12.855 25.217 1.00 0.00 ATOM 850 CE2 TYR A 106 -24.414 11.160 23.807 1.00 0.00 ATOM 851 CZ TYR A 106 -23.408 12.087 24.074 1.00 0.00 ATOM 852 OH TYR A 106 -22.362 12.236 23.194 1.00 0.00 ATOM 853 O TYR A 106 -29.673 10.923 27.226 1.00 0.00 ATOM 854 C TYR A 106 -29.010 11.932 27.401 1.00 0.00 ATOM 855 N TYR A 107 -29.145 12.715 28.473 1.00 0.00 ATOM 856 CA TYR A 107 -30.112 12.439 29.528 1.00 0.00 ATOM 857 CB TYR A 107 -29.397 11.842 30.785 1.00 0.00 ATOM 858 CG TYR A 107 -28.395 10.746 30.462 1.00 0.00 ATOM 859 CD1 TYR A 107 -27.059 11.029 30.211 1.00 0.00 ATOM 860 CD2 TYR A 107 -28.784 9.420 30.435 1.00 0.00 ATOM 861 CE1 TYR A 107 -26.129 10.061 29.907 1.00 0.00 ATOM 862 CE2 TYR A 107 -27.868 8.427 30.124 1.00 0.00 ATOM 863 CZ TYR A 107 -26.551 8.757 29.878 1.00 0.00 ATOM 864 OH TYR A 107 -25.663 7.749 29.634 1.00 0.00 ATOM 865 O TYR A 107 -30.725 14.441 30.720 1.00 0.00 ATOM 866 C TYR A 107 -30.958 13.671 29.801 1.00 0.00 ATOM 867 N PRO A 108 -31.980 13.914 28.914 1.00 0.00 ATOM 868 CA PRO A 108 -32.806 15.123 28.988 1.00 0.00 ATOM 869 CB PRO A 108 -33.881 14.828 27.949 1.00 0.00 ATOM 870 CG PRO A 108 -33.195 14.055 26.992 1.00 0.00 ATOM 871 CD PRO A 108 -32.359 13.041 27.769 1.00 0.00 ATOM 872 O PRO A 108 -34.022 16.533 30.513 1.00 0.00 ATOM 873 C PRO A 108 -33.537 15.409 30.311 1.00 0.00 ATOM 874 N LEU A 109 -33.608 14.419 31.200 1.00 0.00 ATOM 875 CA LEU A 109 -34.266 14.593 32.493 1.00 0.00 ATOM 876 CB LEU A 109 -35.027 13.226 32.793 1.00 0.00 ATOM 877 CG LEU A 109 -36.003 12.676 31.745 1.00 0.00 ATOM 878 CD1 LEU A 109 -36.617 11.368 32.250 1.00 0.00 ATOM 879 CD2 LEU A 109 -37.093 13.700 31.472 1.00 0.00 ATOM 880 O LEU A 109 -33.858 15.508 34.661 1.00 0.00 ATOM 881 C LEU A 109 -33.394 15.223 33.557 1.00 0.00 ATOM 882 N GLY A 110 -32.183 15.357 33.251 1.00 0.00 ATOM 883 CA GLY A 110 -31.188 15.837 34.215 1.00 0.00 ATOM 884 O GLY A 110 -30.727 13.547 34.758 1.00 0.00 ATOM 885 C GLY A 110 -30.598 14.738 35.061 1.00 0.00 ATOM 886 N ILE A 111 -29.819 15.139 36.204 1.00 0.00 ATOM 887 CA ILE A 111 -29.171 14.192 37.059 1.00 0.00 ATOM 888 CB ILE A 111 -28.411 14.948 38.163 1.00 0.00 ATOM 889 CG1 ILE A 111 -29.387 15.737 39.039 1.00 0.00 ATOM 890 CG2 ILE A 111 -27.416 15.924 37.552 1.00 0.00 ATOM 891 CD1 ILE A 111 -28.747 16.351 40.264 1.00 0.00 ATOM 892 O ILE A 111 -29.698 12.097 38.110 1.00 0.00 ATOM 893 C ILE A 111 -30.127 13.159 37.661 1.00 0.00 ATOM 894 N ASP A 112 -31.422 13.513 37.673 1.00 0.00 ATOM 895 CA ASP A 112 -32.390 12.586 38.249 1.00 0.00 ATOM 896 CB ASP A 112 -33.483 13.485 38.832 1.00 0.00 ATOM 897 CG ASP A 112 -32.954 14.438 39.884 1.00 0.00 ATOM 898 OD1 ASP A 112 -32.239 13.975 40.799 1.00 0.00 ATOM 899 OD2 ASP A 112 -33.252 15.647 39.795 1.00 0.00 ATOM 900 O ASP A 112 -34.133 11.121 37.493 1.00 0.00 ATOM 901 C ASP A 112 -33.131 11.774 37.199 1.00 0.00 ATOM 902 N ASP A 113 -32.621 11.751 35.906 1.00 0.00 ATOM 903 CA ASP A 113 -33.224 10.971 34.845 1.00 0.00 ATOM 904 CB ASP A 113 -32.457 11.279 33.558 1.00 0.00 ATOM 905 CG ASP A 113 -33.054 10.595 32.344 1.00 0.00 ATOM 906 OD1 ASP A 113 -34.016 9.817 32.515 1.00 0.00 ATOM 907 OD2 ASP A 113 -32.560 10.838 31.222 1.00 0.00 ATOM 908 O ASP A 113 -31.958 8.995 35.366 1.00 0.00 ATOM 909 C ASP A 113 -33.062 9.471 35.108 1.00 0.00 ATOM 910 N PRO A 114 -34.180 8.717 35.110 1.00 0.00 ATOM 911 CA PRO A 114 -34.150 7.267 35.342 1.00 0.00 ATOM 912 CB PRO A 114 -35.614 6.865 35.146 1.00 0.00 ATOM 913 CG PRO A 114 -36.357 8.071 35.592 1.00 0.00 ATOM 914 CD PRO A 114 -35.566 9.199 34.979 1.00 0.00 ATOM 915 O PRO A 114 -32.710 5.507 34.593 1.00 0.00 ATOM 916 C PRO A 114 -33.293 6.551 34.311 1.00 0.00 ATOM 917 N ASP A 115 -33.196 7.132 33.124 1.00 0.00 ATOM 918 CA ASP A 115 -32.388 6.543 32.059 1.00 0.00 ATOM 919 CB ASP A 115 -32.704 7.216 30.722 1.00 0.00 ATOM 920 CG ASP A 115 -34.069 6.832 30.186 1.00 0.00 ATOM 921 OD1 ASP A 115 -34.650 5.848 30.689 1.00 0.00 ATOM 922 OD2 ASP A 115 -34.555 7.516 29.260 1.00 0.00 ATOM 923 O ASP A 115 -30.092 6.161 31.519 1.00 0.00 ATOM 924 C ASP A 115 -30.889 6.720 32.273 1.00 0.00 ATOM 925 N TYR A 116 -30.482 7.527 33.322 1.00 0.00 ATOM 926 CA TYR A 116 -29.064 7.767 33.567 1.00 0.00 ATOM 927 CB TYR A 116 -28.957 9.213 34.053 1.00 0.00 ATOM 928 CG TYR A 116 -27.535 9.679 34.280 1.00 0.00 ATOM 929 CD1 TYR A 116 -26.717 10.012 33.208 1.00 0.00 ATOM 930 CD2 TYR A 116 -27.018 9.786 35.563 1.00 0.00 ATOM 931 CE1 TYR A 116 -25.418 10.438 33.404 1.00 0.00 ATOM 932 CE2 TYR A 116 -25.720 10.211 35.780 1.00 0.00 ATOM 933 CZ TYR A 116 -24.921 10.538 34.686 1.00 0.00 ATOM 934 OH TYR A 116 -23.627 10.963 34.884 1.00 0.00 ATOM 935 O TYR A 116 -29.039 6.605 35.645 1.00 0.00 ATOM 936 C TYR A 116 -28.539 6.735 34.518 1.00 0.00 ATOM 937 N THR A 117 -27.443 5.980 34.086 1.00 0.00 ATOM 938 CA THR A 117 -26.681 5.157 35.002 1.00 0.00 ATOM 939 CB THR A 117 -26.897 3.655 34.720 1.00 0.00 ATOM 940 CG2 THR A 117 -28.347 3.262 34.997 1.00 0.00 ATOM 941 OG1 THR A 117 -26.595 3.381 33.348 1.00 0.00 ATOM 942 O THR A 117 -24.657 5.917 33.958 1.00 0.00 ATOM 943 C THR A 117 -25.174 5.418 34.973 1.00 0.00 ATOM 944 N ALA A 118 -24.491 5.130 36.079 1.00 0.00 ATOM 945 CA ALA A 118 -23.032 5.195 36.121 1.00 0.00 ATOM 946 CB ALA A 118 -22.568 5.860 37.409 1.00 0.00 ATOM 947 O ALA A 118 -22.987 2.825 36.472 1.00 0.00 ATOM 948 C ALA A 118 -22.384 3.823 36.066 1.00 0.00 ATOM 949 N LEU A 119 -21.179 3.768 35.519 1.00 0.00 ATOM 950 CA LEU A 119 -20.417 2.527 35.458 1.00 0.00 ATOM 951 CB LEU A 119 -20.057 2.147 34.019 1.00 0.00 ATOM 952 CG LEU A 119 -21.230 1.894 33.071 1.00 0.00 ATOM 953 CD1 LEU A 119 -20.734 1.656 31.652 1.00 0.00 ATOM 954 CD2 LEU A 119 -22.020 0.671 33.510 1.00 0.00 ATOM 955 O LEU A 119 -18.368 3.676 35.989 1.00 0.00 ATOM 956 C LEU A 119 -19.156 2.762 36.271 1.00 0.00 ATOM 957 N CYS A 120 -19.003 1.974 37.330 1.00 0.00 ATOM 958 CA CYS A 120 -17.818 2.053 38.173 1.00 0.00 ATOM 959 CB CYS A 120 -18.195 1.978 39.655 1.00 0.00 ATOM 960 SG CYS A 120 -16.794 2.108 40.789 1.00 0.00 ATOM 961 O CYS A 120 -17.373 -0.264 37.942 1.00 0.00 ATOM 962 C CYS A 120 -16.920 0.878 37.816 1.00 0.00 ATOM 963 N PHE A 121 -15.727 1.157 37.279 1.00 0.00 ATOM 964 CA PHE A 121 -14.789 0.118 36.882 1.00 0.00 ATOM 965 CB PHE A 121 -14.087 0.451 35.563 1.00 0.00 ATOM 966 CG PHE A 121 -13.064 -0.568 35.148 1.00 0.00 ATOM 967 CD1 PHE A 121 -13.455 -1.779 34.605 1.00 0.00 ATOM 968 CD2 PHE A 121 -11.713 -0.314 35.299 1.00 0.00 ATOM 969 CE1 PHE A 121 -12.514 -2.716 34.223 1.00 0.00 ATOM 970 CE2 PHE A 121 -10.771 -1.252 34.917 1.00 0.00 ATOM 971 CZ PHE A 121 -11.167 -2.449 34.380 1.00 0.00 ATOM 972 O PHE A 121 -13.152 1.057 38.342 1.00 0.00 ATOM 973 C PHE A 121 -13.765 0.043 37.997 1.00 0.00 ATOM 974 N THR A 122 -13.570 -1.154 38.544 1.00 0.00 ATOM 975 CA THR A 122 -12.585 -1.394 39.595 1.00 0.00 ATOM 976 CB THR A 122 -13.231 -2.012 40.850 1.00 0.00 ATOM 977 CG2 THR A 122 -12.180 -2.258 41.923 1.00 0.00 ATOM 978 OG1 THR A 122 -14.223 -1.118 41.368 1.00 0.00 ATOM 979 O THR A 122 -11.870 -3.483 38.688 1.00 0.00 ATOM 980 C THR A 122 -11.539 -2.350 39.065 1.00 0.00 ATOM 981 N ALA A 123 -10.284 -1.898 39.086 1.00 0.00 ATOM 982 CA ALA A 123 -9.185 -2.609 38.426 1.00 0.00 ATOM 983 CB ALA A 123 -8.070 -1.639 38.066 1.00 0.00 ATOM 984 O ALA A 123 -8.536 -3.484 40.541 1.00 0.00 ATOM 985 C ALA A 123 -8.609 -3.683 39.334 1.00 0.00 ATOM 986 N GLU A 124 -8.242 -4.822 38.730 1.00 0.00 ATOM 987 CA GLU A 124 -7.594 -5.948 39.428 1.00 0.00 ATOM 988 CB GLU A 124 -8.314 -7.260 39.112 1.00 0.00 ATOM 989 CG GLU A 124 -9.754 -7.309 39.596 1.00 0.00 ATOM 990 CD GLU A 124 -10.445 -8.611 39.238 1.00 0.00 ATOM 991 OE1 GLU A 124 -9.801 -9.468 38.597 1.00 0.00 ATOM 992 OE2 GLU A 124 -11.630 -8.773 39.596 1.00 0.00 ATOM 993 O GLU A 124 -5.314 -6.537 39.842 1.00 0.00 ATOM 994 C GLU A 124 -6.130 -6.107 39.033 1.00 0.00 ATOM 995 N TRP A 125 -5.812 -5.803 37.777 1.00 0.00 ATOM 996 CA TRP A 125 -4.475 -6.063 37.241 1.00 0.00 ATOM 997 CB TRP A 125 -4.533 -7.265 36.311 1.00 0.00 ATOM 998 CG TRP A 125 -4.786 -8.562 37.034 1.00 0.00 ATOM 999 CD1 TRP A 125 -5.980 -9.026 37.516 1.00 0.00 ATOM 1000 CD2 TRP A 125 -3.820 -9.585 37.321 1.00 0.00 ATOM 1001 CE2 TRP A 125 -4.497 -10.628 37.989 1.00 0.00 ATOM 1002 CE3 TRP A 125 -2.459 -9.743 37.040 1.00 0.00 ATOM 1003 NE1 TRP A 125 -5.811 -10.258 38.104 1.00 0.00 ATOM 1004 CZ2 TRP A 125 -3.855 -11.795 38.394 1.00 0.00 ATOM 1005 CZ3 TRP A 125 -1.826 -10.881 37.454 1.00 0.00 ATOM 1006 CH2 TRP A 125 -2.523 -11.903 38.116 1.00 0.00 ATOM 1007 O TRP A 125 -5.101 -4.613 35.439 1.00 0.00 ATOM 1008 C TRP A 125 -4.182 -5.040 36.148 1.00 0.00 ATOM 1009 N GLY A 126 -2.829 -4.729 35.667 1.00 0.00 ATOM 1010 CA GLY A 126 -2.420 -3.842 34.613 1.00 0.00 ATOM 1011 O GLY A 126 -0.567 -5.350 34.152 1.00 0.00 ATOM 1012 C GLY A 126 -1.355 -4.476 33.720 1.00 0.00 ATOM 1013 N ASN A 127 -1.415 -4.031 32.463 1.00 0.00 ATOM 1014 CA ASN A 127 -0.352 -4.352 31.504 1.00 0.00 ATOM 1015 CB ASN A 127 -0.931 -5.106 30.308 1.00 0.00 ATOM 1016 CG ASN A 127 -1.891 -6.174 30.726 1.00 0.00 ATOM 1017 ND2 ASN A 127 -1.387 -7.092 31.446 1.00 0.00 ATOM 1018 OD1 ASN A 127 -3.086 -6.148 30.422 1.00 0.00 ATOM 1019 O ASN A 127 -0.611 -2.149 30.613 1.00 0.00 ATOM 1020 C ASN A 127 0.156 -3.019 31.039 1.00 0.00 ATOM 1021 N TYR A 128 1.486 -2.830 31.103 1.00 0.00 ATOM 1022 CA TYR A 128 2.134 -1.563 30.813 1.00 0.00 ATOM 1023 CB TYR A 128 2.956 -1.108 32.029 1.00 0.00 ATOM 1024 CG TYR A 128 2.123 -0.573 33.189 1.00 0.00 ATOM 1025 CD1 TYR A 128 1.688 -1.359 34.225 1.00 0.00 ATOM 1026 CD2 TYR A 128 1.895 0.816 33.181 1.00 0.00 ATOM 1027 CE1 TYR A 128 0.918 -0.841 35.274 1.00 0.00 ATOM 1028 CE2 TYR A 128 1.131 1.331 34.237 1.00 0.00 ATOM 1029 CZ TYR A 128 0.673 0.518 35.227 1.00 0.00 ATOM 1030 OH TYR A 128 -0.067 1.037 36.311 1.00 0.00 ATOM 1031 O TYR A 128 3.823 -2.763 29.629 1.00 0.00 ATOM 1032 C TYR A 128 3.086 -1.758 29.671 1.00 0.00 ATOM 1033 N TYR A 129 3.083 -0.804 28.758 1.00 0.00 ATOM 1034 CA TYR A 129 3.857 -0.857 27.534 1.00 0.00 ATOM 1035 CB TYR A 129 2.959 -0.701 26.293 1.00 0.00 ATOM 1036 CG TYR A 129 1.788 -1.658 26.257 1.00 0.00 ATOM 1037 CD1 TYR A 129 0.653 -1.408 27.020 1.00 0.00 ATOM 1038 CD2 TYR A 129 1.814 -2.802 25.468 1.00 0.00 ATOM 1039 CE1 TYR A 129 -0.418 -2.282 27.013 1.00 0.00 ATOM 1040 CE2 TYR A 129 0.740 -3.678 25.449 1.00 0.00 ATOM 1041 CZ TYR A 129 -0.364 -3.409 26.221 1.00 0.00 ATOM 1042 OH TYR A 129 -1.448 -4.262 26.226 1.00 0.00 ATOM 1043 O TYR A 129 5.419 0.659 26.527 1.00 0.00 ATOM 1044 C TYR A 129 4.736 0.394 27.518 1.00 0.00 ATOM 1045 N ARG A 130 4.793 1.272 28.741 1.00 0.00 ATOM 1046 CA ARG A 130 5.584 2.504 28.861 1.00 0.00 ATOM 1047 CB ARG A 130 5.207 3.028 30.248 1.00 0.00 ATOM 1048 CG ARG A 130 5.608 4.473 30.496 1.00 0.00 ATOM 1049 CD ARG A 130 5.188 4.934 31.883 1.00 0.00 ATOM 1050 NE ARG A 130 5.586 6.313 32.145 1.00 0.00 ATOM 1051 CZ ARG A 130 4.876 7.378 31.783 1.00 0.00 ATOM 1052 NH1 ARG A 130 5.317 8.597 32.064 1.00 0.00 ATOM 1053 NH2 ARG A 130 3.727 7.221 31.141 1.00 0.00 ATOM 1054 O ARG A 130 7.664 1.368 29.128 1.00 0.00 ATOM 1055 C ARG A 130 7.085 2.383 28.726 1.00 0.00 ATOM 1056 N HIS A 131 7.693 3.412 28.134 1.00 0.00 ATOM 1057 CA HIS A 131 9.124 3.419 27.772 1.00 0.00 ATOM 1058 CB HIS A 131 9.995 3.475 29.029 1.00 0.00 ATOM 1059 CG HIS A 131 9.742 4.676 29.886 1.00 0.00 ATOM 1060 CD2 HIS A 131 9.226 4.903 31.229 1.00 0.00 ATOM 1061 ND1 HIS A 131 10.003 5.960 29.463 1.00 0.00 ATOM 1062 CE1 HIS A 131 9.676 6.819 30.445 1.00 0.00 ATOM 1063 NE2 HIS A 131 9.209 6.192 31.507 1.00 0.00 ATOM 1064 O HIS A 131 10.582 1.555 27.245 1.00 0.00 ATOM 1065 C HIS A 131 9.544 2.185 26.970 1.00 0.00 ATOM 1066 N LEU A 132 8.650 1.838 25.958 1.00 0.00 ATOM 1067 CA LEU A 132 8.839 0.646 25.123 1.00 0.00 ATOM 1068 CB LEU A 132 9.878 0.913 24.042 1.00 0.00 ATOM 1069 CG LEU A 132 9.671 2.171 23.197 1.00 0.00 ATOM 1070 CD1 LEU A 132 10.732 2.210 22.118 1.00 0.00 ATOM 1071 CD2 LEU A 132 8.285 2.181 22.569 1.00 0.00 ATOM 1072 O LEU A 132 9.863 -1.508 25.424 1.00 0.00 ATOM 1073 C LEU A 132 9.162 -0.606 25.917 1.00 0.00 ATOM 1074 N LYS A 133 8.660 -0.652 27.152 1.00 0.00 ATOM 1075 CA LYS A 133 8.898 -1.756 28.061 1.00 0.00 ATOM 1076 CB LYS A 133 9.705 -1.287 29.274 1.00 0.00 ATOM 1077 CG LYS A 133 11.121 -0.846 28.943 1.00 0.00 ATOM 1078 CD LYS A 133 11.892 -0.477 30.201 1.00 0.00 ATOM 1079 CE LYS A 133 13.296 0.001 29.867 1.00 0.00 ATOM 1080 NZ LYS A 133 14.073 0.341 31.091 1.00 0.00 ATOM 1081 O LYS A 133 6.673 -1.602 28.933 1.00 0.00 ATOM 1082 C LYS A 133 7.581 -2.338 28.545 1.00 0.00 ATOM 1083 N ASN A 134 7.456 -3.664 28.468 1.00 0.00 ATOM 1084 CA ASN A 134 6.249 -4.328 28.933 1.00 0.00 ATOM 1085 CB ASN A 134 6.277 -5.701 28.352 1.00 0.00 ATOM 1086 CG ASN A 134 5.580 -5.552 27.014 1.00 0.00 ATOM 1087 ND2 ASN A 134 6.081 -6.253 26.004 1.00 0.00 ATOM 1088 OD1 ASN A 134 4.604 -4.814 26.893 1.00 0.00 ATOM 1089 O ASN A 134 7.320 -5.537 30.717 1.00 0.00 ATOM 1090 C ASN A 134 6.360 -4.852 30.372 1.00 0.00 ATOM 1091 N ILE A 135 5.370 -4.517 31.202 1.00 0.00 ATOM 1092 CA ILE A 135 5.271 -5.026 32.581 1.00 0.00 ATOM 1093 CB ILE A 135 5.728 -3.970 33.607 1.00 0.00 ATOM 1094 CG1 ILE A 135 7.187 -3.584 33.361 1.00 0.00 ATOM 1095 CG2 ILE A 135 5.604 -4.515 35.021 1.00 0.00 ATOM 1096 CD1 ILE A 135 7.666 -2.431 34.216 1.00 0.00 ATOM 1097 O ILE A 135 2.898 -4.680 32.642 1.00 0.00 ATOM 1098 C ILE A 135 3.835 -5.415 32.940 1.00 0.00 ATOM 1099 N THR A 136 3.680 -6.586 33.552 1.00 0.00 ATOM 1100 CA THR A 136 2.375 -7.156 33.816 1.00 0.00 ATOM 1101 CB THR A 136 2.121 -8.452 33.000 1.00 0.00 ATOM 1102 CG2 THR A 136 2.237 -8.171 31.485 1.00 0.00 ATOM 1103 OG1 THR A 136 3.135 -9.436 33.265 1.00 0.00 ATOM 1104 O THR A 136 3.404 -7.837 35.874 1.00 0.00 ATOM 1105 C THR A 136 2.443 -7.271 35.325 1.00 0.00 ATOM 1106 N PHE A 137 1.331 -6.621 35.849 1.00 0.00 ATOM 1107 CA PHE A 137 1.279 -6.662 37.300 1.00 0.00 ATOM 1108 CB PHE A 137 1.327 -5.402 37.829 1.00 0.00 ATOM 1109 CG PHE A 137 2.653 -5.508 38.519 1.00 0.00 ATOM 1110 CD1 PHE A 137 2.822 -6.400 39.569 1.00 0.00 ATOM 1111 CD2 PHE A 137 3.746 -4.764 38.091 1.00 0.00 ATOM 1112 CE1 PHE A 137 4.044 -6.530 40.202 1.00 0.00 ATOM 1113 CE2 PHE A 137 4.973 -4.889 38.725 1.00 0.00 ATOM 1114 CZ PHE A 137 5.120 -5.779 39.781 1.00 0.00 ATOM 1115 O PHE A 137 -1.023 -6.493 36.990 1.00 0.00 ATOM 1116 C PHE A 137 -0.161 -6.855 37.721 1.00 0.00 ATOM 1117 N LYS A 138 -0.413 -7.399 38.909 1.00 0.00 ATOM 1118 CA LYS A 138 -1.693 -7.457 39.528 1.00 0.00 ATOM 1119 CB LYS A 138 -1.663 -8.557 40.590 1.00 0.00 ATOM 1120 CG LYS A 138 -2.952 -8.689 41.387 1.00 0.00 ATOM 1121 CD LYS A 138 -2.887 -9.859 42.354 1.00 0.00 ATOM 1122 CE LYS A 138 -4.187 -10.012 43.124 1.00 0.00 ATOM 1123 NZ LYS A 138 -4.144 -11.165 44.064 1.00 0.00 ATOM 1124 O LYS A 138 -1.069 -5.841 41.192 1.00 0.00 ATOM 1125 C LYS A 138 -1.931 -6.218 40.396 1.00 0.00 ATOM 1126 N ILE A 139 -3.088 -5.553 40.237 1.00 0.00 ATOM 1127 CA ILE A 139 -3.384 -4.338 41.001 1.00 0.00 ATOM 1128 CB ILE A 139 -4.696 -3.682 40.514 1.00 0.00 ATOM 1129 CG1 ILE A 139 -4.601 -3.376 39.013 1.00 0.00 ATOM 1130 CG2 ILE A 139 -4.967 -2.416 41.309 1.00 0.00 ATOM 1131 CD1 ILE A 139 -3.479 -2.420 38.629 1.00 0.00 ATOM 1132 O ILE A 139 -2.954 -3.952 43.339 1.00 0.00 ATOM 1133 C ILE A 139 -3.481 -4.684 42.489 1.00 0.00 ATOM 1134 N ASP A 140 -4.128 -5.807 42.806 1.00 0.00 ATOM 1135 CA ASP A 140 -4.269 -6.265 44.193 1.00 0.00 ATOM 1136 CB ASP A 140 -5.128 -7.540 44.279 1.00 0.00 ATOM 1137 CG ASP A 140 -6.616 -7.264 44.079 1.00 0.00 ATOM 1138 OD1 ASP A 140 -7.017 -6.078 44.087 1.00 0.00 ATOM 1139 OD2 ASP A 140 -7.384 -8.235 43.913 1.00 0.00 ATOM 1140 O ASP A 140 -2.703 -6.154 46.025 1.00 0.00 ATOM 1141 C ASP A 140 -2.900 -6.493 44.853 1.00 0.00 ATOM 1142 N GLU A 141 -1.955 -7.053 44.098 1.00 0.00 ATOM 1143 CA GLU A 141 -0.607 -7.275 44.614 1.00 0.00 ATOM 1144 CB GLU A 141 0.273 -7.965 43.574 1.00 0.00 ATOM 1145 CG GLU A 141 0.113 -9.444 43.466 1.00 0.00 ATOM 1146 CD GLU A 141 1.000 -9.998 42.369 1.00 0.00 ATOM 1147 OE1 GLU A 141 2.229 -9.760 42.424 1.00 0.00 ATOM 1148 OE2 GLU A 141 0.455 -10.651 41.445 1.00 0.00 ATOM 1149 O GLU A 141 0.651 -5.786 46.047 1.00 0.00 ATOM 1150 C GLU A 141 0.059 -5.954 44.978 1.00 0.00 ATOM 1151 N ILE A 142 -0.049 -4.999 44.052 1.00 0.00 ATOM 1152 CA ILE A 142 0.583 -3.696 44.295 1.00 0.00 ATOM 1153 CB ILE A 142 0.438 -2.797 43.059 1.00 0.00 ATOM 1154 CG1 ILE A 142 1.393 -3.308 41.970 1.00 0.00 ATOM 1155 CG2 ILE A 142 0.710 -1.335 43.417 1.00 0.00 ATOM 1156 CD1 ILE A 142 1.129 -2.766 40.586 1.00 0.00 ATOM 1157 O ILE A 142 0.563 -2.382 46.317 1.00 0.00 ATOM 1158 C ILE A 142 -0.095 -2.964 45.465 1.00 0.00 ATOM 1159 N TYR A 143 -1.430 -3.007 45.515 1.00 0.00 ATOM 1160 CA TYR A 143 -2.140 -2.370 46.615 1.00 0.00 ATOM 1161 CB TYR A 143 -3.653 -2.602 46.518 1.00 0.00 ATOM 1162 CG TYR A 143 -4.418 -2.022 47.696 1.00 0.00 ATOM 1163 CD1 TYR A 143 -4.703 -0.661 47.763 1.00 0.00 ATOM 1164 CD2 TYR A 143 -4.858 -2.837 48.738 1.00 0.00 ATOM 1165 CE1 TYR A 143 -5.407 -0.125 48.847 1.00 0.00 ATOM 1166 CE2 TYR A 143 -5.553 -2.309 49.810 1.00 0.00 ATOM 1167 CZ TYR A 143 -5.824 -0.960 49.858 1.00 0.00 ATOM 1168 OH TYR A 143 -6.523 -0.443 50.930 1.00 0.00 ATOM 1169 O TYR A 143 -1.378 -2.109 48.881 1.00 0.00 ATOM 1170 C TYR A 143 -1.669 -2.889 47.967 1.00 0.00 ATOM 1171 N ASN A 144 -1.584 -4.205 48.098 1.00 0.00 ATOM 1172 CA ASN A 144 -1.134 -4.830 49.335 1.00 0.00 ATOM 1173 CB ASN A 144 -1.226 -6.358 49.286 1.00 0.00 ATOM 1174 CG ASN A 144 -2.659 -6.842 49.384 1.00 0.00 ATOM 1175 ND2 ASN A 144 -2.885 -8.112 49.081 1.00 0.00 ATOM 1176 OD1 ASN A 144 -3.554 -6.069 49.727 1.00 0.00 ATOM 1177 O ASN A 144 0.659 -4.072 50.745 1.00 0.00 ATOM 1178 C ASN A 144 0.299 -4.383 49.602 1.00 0.00 ATOM 1179 N TYR A 145 1.114 -4.346 48.552 1.00 0.00 ATOM 1180 CA TYR A 145 2.520 -3.999 48.730 1.00 0.00 ATOM 1181 CB TYR A 145 3.233 -4.206 47.362 1.00 0.00 ATOM 1182 CG TYR A 145 4.706 -3.888 47.538 1.00 0.00 ATOM 1183 CD1 TYR A 145 5.574 -4.839 48.063 1.00 0.00 ATOM 1184 CD2 TYR A 145 5.183 -2.630 47.197 1.00 0.00 ATOM 1185 CE1 TYR A 145 6.916 -4.523 48.239 1.00 0.00 ATOM 1186 CE2 TYR A 145 6.520 -2.322 47.361 1.00 0.00 ATOM 1187 CZ TYR A 145 7.371 -3.273 47.888 1.00 0.00 ATOM 1188 OH TYR A 145 8.689 -2.933 48.059 1.00 0.00 ATOM 1189 O TYR A 145 3.444 -2.322 50.207 1.00 0.00 ATOM 1190 C TYR A 145 2.677 -2.576 49.257 1.00 0.00 ENDMDL EXPDTA 2hq7A MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hq7A ATOM 1 N ILE 2 7.920 -3.761 41.547 1.00 0.00 ATOM 2 CA ILE 2 7.555 -3.042 40.292 1.00 0.00 ATOM 3 CB ILE 2 6.055 -3.221 39.967 1.00 0.00 ATOM 4 CG1 ILE 2 5.791 -4.587 39.307 1.00 0.00 ATOM 5 CG2 ILE 2 5.559 -2.096 39.089 1.00 0.00 ATOM 6 CD1 ILE 2 6.299 -4.723 37.889 1.00 0.00 ATOM 7 O ILE 2 7.516 -0.855 41.318 1.00 0.00 ATOM 8 C ILE 2 7.922 -1.550 40.387 1.00 0.00 ATOM 9 N ASP 3 8.682 -1.085 39.392 1.00 0.00 ATOM 10 CA ASP 3 9.315 0.256 39.361 1.00 0.00 ATOM 11 CB ASP 3 10.333 0.326 38.205 1.00 0.00 ATOM 12 CG ASP 3 11.400 1.389 38.412 1.00 0.00 ATOM 13 OD1 ASP 3 11.083 2.596 38.291 1.00 0.00 ATOM 14 OD2 ASP 3 12.561 1.008 38.677 1.00 0.00 ATOM 15 O ASP 3 7.137 1.209 38.914 1.00 0.00 ATOM 16 C ASP 3 8.322 1.413 39.223 1.00 0.00 ATOM 17 N GLU 4 8.829 2.626 39.441 1.00 0.00 ATOM 18 CA GLU 4 8.010 3.830 39.430 1.00 0.00 ATOM 19 CB GLU 4 8.402 4.719 40.619 1.00 0.00 ATOM 20 CG GLU 4 8.317 3.989 41.969 1.00 0.00 ATOM 21 CD GLU 4 6.942 3.360 42.216 1.00 0.00 ATOM 22 OE1 GLU 4 5.938 4.095 42.126 1.00 0.00 ATOM 23 OE2 GLU 4 6.855 2.141 42.499 1.00 0.00 ATOM 24 O GLU 4 7.345 5.580 37.956 1.00 0.00 ATOM 25 C GLU 4 8.077 4.612 38.118 1.00 0.00 ATOM 26 N LYS 5 8.927 4.195 37.182 1.00 0.00 ATOM 27 CA LYS 5 9.036 4.881 35.888 1.00 0.00 ATOM 28 CB LYS 5 10.292 4.426 35.151 1.00 0.00 ATOM 29 O LYS 5 7.161 5.555 34.508 1.00 0.00 ATOM 30 C LYS 5 7.807 4.622 35.003 1.00 0.00 ATOM 31 N PHE 6 7.494 3.344 34.811 1.00 0.00 ATOM 32 CA PHE 6 6.395 2.944 33.935 1.00 0.00 ATOM 33 CB PHE 6 6.596 1.502 33.426 1.00 0.00 ATOM 34 CG PHE 6 6.330 0.439 34.457 1.00 0.00 ATOM 35 CD1 PHE 6 7.342 -0.010 35.299 1.00 0.00 ATOM 36 CD2 PHE 6 5.066 -0.121 34.577 1.00 0.00 ATOM 37 CE1 PHE 6 7.086 -0.993 36.252 1.00 0.00 ATOM 38 CE2 PHE 6 4.805 -1.099 35.527 1.00 0.00 ATOM 39 CZ PHE 6 5.812 -1.536 36.360 1.00 0.00 ATOM 40 O PHE 6 4.003 3.194 33.925 1.00 0.00 ATOM 41 C PHE 6 5.028 3.140 34.613 1.00 0.00 ATOM 42 N LEU 7 5.016 3.266 35.940 1.00 0.00 ATOM 43 CA LEU 7 3.785 3.582 36.677 1.00 0.00 ATOM 44 CB LEU 7 3.842 3.036 38.108 1.00 0.00 ATOM 45 O LEU 7 2.349 5.478 36.907 1.00 0.00 ATOM 46 C LEU 7 3.493 5.081 36.717 1.00 0.00 ATOM 47 N ILE 8 4.527 5.912 36.568 1.00 0.00 ATOM 48 CA ILE 8 4.348 7.371 36.455 1.00 0.00 ATOM 49 CB ILE 8 5.682 8.162 36.603 1.00 0.00 ATOM 50 CG1 ILE 8 5.988 8.417 38.082 1.00 0.00 ATOM 51 CG2 ILE 8 5.622 9.514 35.838 1.00 0.00 ATOM 52 CD1 ILE 8 7.413 8.909 38.338 1.00 0.00 ATOM 53 O ILE 8 2.791 8.479 35.057 1.00 0.00 ATOM 54 C ILE 8 3.725 7.697 35.117 1.00 0.00 ATOM 55 N GLU 9 4.242 7.076 34.054 1.00 0.00 ATOM 56 CA GLU 9 3.612 7.123 32.731 1.00 0.00 ATOM 57 CB GLU 9 4.494 6.427 31.687 1.00 0.00 ATOM 58 CG GLU 9 5.502 7.367 31.038 1.00 0.00 ATOM 59 CD GLU 9 6.582 6.650 30.247 1.00 0.00 ATOM 60 OE1 GLU 9 6.338 5.511 29.754 1.00 0.00 ATOM 61 OE2 GLU 9 7.685 7.239 30.122 1.00 0.00 ATOM 62 O GLU 9 1.349 7.056 31.927 1.00 0.00 ATOM 63 C GLU 9 2.173 6.549 32.671 1.00 0.00 ATOM 64 N SER 10 1.883 5.497 33.429 1.00 0.00 ATOM 65 CA SER 10 0.529 4.935 33.477 1.00 0.00 ATOM 66 CB SER 10 0.491 3.661 34.305 1.00 0.00 ATOM 67 OG SER 10 1.115 2.593 33.622 1.00 0.00 ATOM 68 O SER 10 -1.524 6.176 33.491 1.00 0.00 ATOM 69 C SER 10 -0.459 5.952 34.052 1.00 0.00 ATOM 70 N ASN 11 -0.090 6.568 35.163 1.00 0.00 ATOM 71 CA ASN 11 -0.933 7.565 35.809 1.00 0.00 ATOM 72 CB ASN 11 -0.344 7.960 37.165 1.00 0.00 ATOM 73 CG ASN 11 -0.607 6.938 38.239 1.00 0.00 ATOM 74 ND2 ASN 11 0.370 6.056 38.483 1.00 0.00 ATOM 75 OD1 ASN 11 -1.669 6.941 38.852 1.00 0.00 ATOM 76 O ASN 11 -2.170 9.436 34.986 1.00 0.00 ATOM 77 C ASN 11 -1.107 8.824 34.977 1.00 0.00 ATOM 78 N GLU 12 -0.047 9.240 34.293 1.00 0.00 ATOM 79 CA GLU 12 -0.116 10.432 33.452 1.00 0.00 ATOM 80 CB GLU 12 1.268 10.801 32.919 1.00 0.00 ATOM 81 CG GLU 12 2.137 11.559 33.935 1.00 0.00 ATOM 82 CD GLU 12 3.555 11.906 33.426 1.00 0.00 ATOM 83 OE1 GLU 12 4.073 11.240 32.490 1.00 0.00 ATOM 84 OE2 GLU 12 4.156 12.855 33.990 1.00 0.00 ATOM 85 O GLU 12 -1.838 11.069 31.890 1.00 0.00 ATOM 86 C GLU 12 -1.066 10.192 32.287 1.00 0.00 ATOM 87 N LEU 13 -0.970 9.003 31.728 1.00 0.00 ATOM 88 CA LEU 13 -1.811 8.587 30.643 1.00 0.00 ATOM 89 CB LEU 13 -1.390 7.179 30.245 1.00 0.00 ATOM 90 CG LEU 13 -1.917 6.576 28.978 1.00 0.00 ATOM 91 CD1 LEU 13 -1.781 7.583 27.823 1.00 0.00 ATOM 92 CD2 LEU 13 -1.133 5.277 28.709 1.00 0.00 ATOM 93 O LEU 13 -4.136 9.110 30.334 1.00 0.00 ATOM 94 C LEU 13 -3.285 8.599 31.059 1.00 0.00 ATOM 95 N VAL 14 -3.579 8.019 32.220 1.00 0.00 ATOM 96 CA VAL 14 -4.920 8.036 32.766 1.00 0.00 ATOM 97 CB VAL 14 -5.006 7.189 34.053 1.00 0.00 ATOM 98 CG1 VAL 14 -6.287 7.486 34.796 1.00 0.00 ATOM 99 CG2 VAL 14 -4.893 5.733 33.710 1.00 0.00 ATOM 100 O VAL 14 -6.549 9.808 32.756 1.00 0.00 ATOM 101 C VAL 14 -5.410 9.470 33.049 1.00 0.00 ATOM 102 N GLU 15 -4.546 10.314 33.607 1.00 0.00 ATOM 103 CA GLU 15 -4.951 11.670 33.968 1.00 0.00 ATOM 104 CB GLU 15 -3.905 12.351 34.844 1.00 0.00 ATOM 105 CG GLU 15 -3.921 11.867 36.290 1.00 0.00 ATOM 106 CD GLU 15 -2.627 12.191 37.026 1.00 0.00 ATOM 107 OE1 GLU 15 -2.078 13.306 36.832 1.00 0.00 ATOM 108 OE2 GLU 15 -2.161 11.319 37.791 1.00 0.00 ATOM 109 O GLU 15 -5.988 13.441 32.821 1.00 0.00 ATOM 110 C GLU 15 -5.210 12.517 32.749 1.00 0.00 ATOM 111 N SER 16 -4.593 12.180 31.624 1.00 0.00 ATOM 112 CA SER 16 -4.753 12.968 30.407 1.00 0.00 ATOM 113 CB SER 16 -3.476 12.916 29.549 1.00 0.00 ATOM 114 OG SER 16 -3.293 11.623 28.953 1.00 0.00 ATOM 115 O SER 16 -6.309 13.148 28.622 1.00 0.00 ATOM 116 C SER 16 -5.932 12.487 29.581 1.00 0.00 ATOM 117 N SER 17 -6.492 11.333 29.938 1.00 0.00 ATOM 118 CA SER 17 -7.515 10.671 29.127 1.00 0.00 ATOM 119 CB SER 17 -7.499 9.186 29.418 1.00 0.00 ATOM 120 OG SER 17 -8.177 8.947 30.656 1.00 0.00 ATOM 121 O SER 17 -9.336 11.140 30.575 1.00 0.00 ATOM 122 C SER 17 -8.922 11.155 29.435 1.00 0.00 ATOM 123 N LYS 18 -9.661 11.576 28.423 1.00 0.00 ATOM 124 CA LYS 18 -11.072 11.900 28.571 1.00 0.00 ATOM 125 CB LYS 18 -11.440 13.134 27.733 1.00 0.00 ATOM 126 O LYS 18 -12.991 10.520 28.653 1.00 0.00 ATOM 127 C LYS 18 -11.921 10.732 28.114 1.00 0.00 ATOM 128 N ILE 19 -11.462 10.036 27.072 1.00 0.00 ATOM 129 CA ILE 19 -12.132 8.887 26.488 1.00 0.00 ATOM 130 CB ILE 19 -12.314 9.067 24.951 1.00 0.00 ATOM 131 CG1 ILE 19 -13.208 10.255 24.651 1.00 0.00 ATOM 132 CG2 ILE 19 -12.956 7.842 24.306 1.00 0.00 ATOM 133 CD1 ILE 19 -14.560 10.218 25.378 1.00 0.00 ATOM 134 O ILE 19 -10.093 7.621 26.697 1.00 0.00 ATOM 135 C ILE 19 -11.323 7.633 26.771 1.00 0.00 ATOM 136 N VAL 20 -12.016 6.565 27.111 1.00 0.00 ATOM 137 CA VAL 20 -11.349 5.286 27.377 1.00 0.00 ATOM 138 CB VAL 20 -11.251 5.037 28.894 1.00 0.00 ATOM 139 CG1 VAL 20 -12.552 5.375 29.592 1.00 0.00 ATOM 140 CG2 VAL 20 -10.806 3.618 29.194 1.00 0.00 ATOM 141 O VAL 20 -13.273 4.261 26.362 1.00 0.00 ATOM 142 C VAL 20 -12.066 4.179 26.607 1.00 0.00 ATOM 143 N MET 21 -11.296 3.204 26.114 1.00 0.00 ATOM 144 CA MET 21 -11.850 2.130 25.327 1.00 0.00 ATOM 145 CB MET 21 -10.807 1.501 24.394 1.00 0.00 ATOM 146 CG MET 21 -10.249 2.391 23.282 1.00 0.00 ATOM 147 SD MET 21 -11.589 3.558 22.490 1.00 0.00 ATOM 148 CE MET 21 -11.084 5.288 23.261 1.00 0.00 ATOM 149 O MET 21 -11.476 0.790 27.231 1.00 0.00 ATOM 150 C MET 21 -12.259 1.108 26.337 1.00 0.00 ATOM 151 N VAL 22 -13.461 0.582 26.208 1.00 0.00 ATOM 152 CA VAL 22 -13.988 -0.367 27.174 1.00 0.00 ATOM 153 CB VAL 22 -15.238 0.198 27.933 1.00 0.00 ATOM 154 CG1 VAL 22 -15.827 -0.794 28.924 1.00 0.00 ATOM 155 CG2 VAL 22 -14.892 1.498 28.666 1.00 0.00 ATOM 156 O VAL 22 -15.152 -1.747 25.585 1.00 0.00 ATOM 157 C VAL 22 -14.322 -1.678 26.498 1.00 0.00 ATOM 158 N GLY 23 -13.667 -2.727 26.968 1.00 0.00 ATOM 159 CA GLY 23 -13.871 -4.025 26.446 1.00 0.00 ATOM 160 O GLY 23 -14.506 -4.874 28.556 1.00 0.00 ATOM 161 C GLY 23 -14.766 -4.813 27.362 1.00 0.00 ATOM 162 N THR 24 -15.791 -5.443 26.788 1.00 0.00 ATOM 163 CA THR 24 -16.795 -6.199 27.547 1.00 0.00 ATOM 164 CB THR 24 -18.164 -5.477 27.596 1.00 0.00 ATOM 165 CG2 THR 24 -18.026 -4.074 28.179 1.00 0.00 ATOM 166 OG1 THR 24 -18.659 -5.323 26.266 1.00 0.00 ATOM 167 O THR 24 -16.558 -7.656 25.679 1.00 0.00 ATOM 168 C THR 24 -16.956 -7.515 26.837 1.00 0.00 ATOM 169 N ASN 25 -17.513 -8.484 27.548 1.00 0.00 ATOM 170 CA ASN 25 -17.795 -9.798 27.007 1.00 0.00 ATOM 171 CB ASN 25 -17.794 -10.819 28.131 1.00 0.00 ATOM 172 CG ASN 25 -16.407 -11.152 28.616 1.00 0.00 ATOM 173 ND2 ASN 25 -16.196 -11.070 29.933 1.00 0.00 ATOM 174 OD1 ASN 25 -15.535 -11.519 27.823 1.00 0.00 ATOM 175 O ASN 25 -20.185 -9.665 26.931 1.00 0.00 ATOM 176 C ASN 25 -19.147 -9.808 26.307 1.00 0.00 ATOM 177 N GLY 26 -19.134 -9.953 24.999 1.00 0.00 ATOM 178 CA GLY 26 -20.331 -9.779 24.229 1.00 0.00 ATOM 179 O GLY 26 -20.657 -12.150 24.361 1.00 0.00 ATOM 180 C GLY 26 -21.030 -11.062 23.905 1.00 0.00 ATOM 181 N GLU 27 -22.040 -10.926 23.059 1.00 0.00 ATOM 182 CA GLU 27 -22.876 -12.040 22.633 1.00 0.00 ATOM 183 CB GLU 27 -24.012 -11.514 21.718 1.00 0.00 ATOM 184 CG GLU 27 -25.428 -11.864 22.163 1.00 0.00 ATOM 185 O GLU 27 -21.099 -12.702 21.123 1.00 0.00 ATOM 186 C GLU 27 -22.023 -13.054 21.886 1.00 0.00 ATOM 187 N ASN 28 -22.328 -14.328 22.106 1.00 0.00 ATOM 188 CA ASN 28 -21.779 -15.413 21.320 1.00 0.00 ATOM 189 CB ASN 28 -22.115 -15.249 19.830 1.00 0.00 ATOM 190 CG ASN 28 -23.595 -15.339 19.552 1.00 0.00 ATOM 191 ND2 ASN 28 -24.139 -14.316 18.898 1.00 0.00 ATOM 192 OD1 ASN 28 -24.244 -16.318 19.917 1.00 0.00 ATOM 193 O ASN 28 -19.656 -16.265 20.683 1.00 0.00 ATOM 194 C ASN 28 -20.293 -15.611 21.495 1.00 0.00 ATOM 195 N GLY 29 -19.740 -15.076 22.564 1.00 0.00 ATOM 196 CA GLY 29 -18.371 -15.384 22.922 1.00 0.00 ATOM 197 O GLY 29 -16.180 -14.634 22.490 1.00 0.00 ATOM 198 C GLY 29 -17.380 -14.401 22.378 1.00 0.00 ATOM 199 N TYR 30 -17.864 -13.291 21.827 1.00 0.00 ATOM 200 CA TYR 30 -16.985 -12.349 21.176 1.00 0.00 ATOM 201 CB TYR 30 -17.593 -11.832 19.870 1.00 0.00 ATOM 202 CG TYR 30 -17.691 -12.854 18.757 1.00 0.00 ATOM 203 CD1 TYR 30 -18.770 -13.722 18.673 1.00 0.00 ATOM 204 CD2 TYR 30 -16.744 -12.896 17.754 1.00 0.00 ATOM 205 CE1 TYR 30 -18.855 -14.660 17.646 1.00 0.00 ATOM 206 CE2 TYR 30 -16.820 -13.813 16.744 1.00 0.00 ATOM 207 CZ TYR 30 -17.878 -14.689 16.690 1.00 0.00 ATOM 208 OH TYR 30 -17.927 -15.565 15.643 1.00 0.00 ATOM 209 O TYR 30 -17.738 -10.750 22.721 1.00 0.00 ATOM 210 C TYR 30 -16.779 -11.189 22.099 1.00 0.00 ATOM 211 N PRO 31 -15.532 -10.662 22.175 1.00 0.00 ATOM 212 CA PRO 31 -15.351 -9.403 22.866 1.00 0.00 ATOM 213 CB PRO 31 -13.822 -9.198 22.880 1.00 0.00 ATOM 214 CG PRO 31 -13.238 -10.463 22.379 1.00 0.00 ATOM 215 CD PRO 31 -14.261 -11.167 21.620 1.00 0.00 ATOM 216 O PRO 31 -16.242 -8.392 20.889 1.00 0.00 ATOM 217 C PRO 31 -15.998 -8.280 22.097 1.00 0.00 ATOM 218 N ASN 32 -16.276 -7.192 22.804 1.00 0.00 ATOM 219 CA ASN 32 -16.859 -6.045 22.198 1.00 0.00 ATOM 220 CB ASN 32 -18.347 -5.945 22.550 1.00 0.00 ATOM 221 CG ASN 32 -19.258 -6.778 21.676 1.00 0.00 ATOM 222 ND2 ASN 32 -18.726 -7.673 20.842 1.00 0.00 ATOM 223 OD1 ASN 32 -20.463 -6.651 21.818 1.00 0.00 ATOM 224 O ASN 32 -15.620 -4.971 23.946 1.00 0.00 ATOM 225 C ASN 32 -16.085 -4.883 22.802 1.00 0.00 ATOM 226 N ILE 33 -15.890 -3.831 22.023 1.00 0.00 ATOM 227 CA ILE 33 -15.252 -2.600 22.519 1.00 0.00 ATOM 228 CB ILE 33 -13.914 -2.373 21.825 1.00 0.00 ATOM 229 CG1 ILE 33 -12.929 -3.528 22.063 1.00 0.00 ATOM 230 CG2 ILE 33 -13.323 -1.062 22.253 1.00 0.00 ATOM 231 CD1 ILE 33 -11.619 -3.395 21.264 1.00 0.00 ATOM 232 O ILE 33 -16.659 -1.281 21.111 1.00 0.00 ATOM 233 C ILE 33 -16.104 -1.364 22.194 1.00 0.00 ATOM 234 N LYS 34 -16.161 -0.407 23.129 1.00 0.00 ATOM 235 CA LYS 34 -16.953 0.806 23.026 1.00 0.00 ATOM 236 CB LYS 34 -18.313 0.634 23.727 1.00 0.00 ATOM 237 CG LYS 34 -19.277 1.790 23.503 1.00 0.00 ATOM 238 CD LYS 34 -20.548 1.693 24.377 1.00 0.00 ATOM 239 CE LYS 34 -21.697 2.462 23.721 1.00 0.00 ATOM 240 NZ LYS 34 -22.839 2.796 24.645 1.00 0.00 ATOM 241 O LYS 34 -15.626 1.683 24.803 1.00 0.00 ATOM 242 C LYS 34 -16.188 1.916 23.739 1.00 0.00 ATOM 243 N ALA 35 -16.189 3.114 23.175 1.00 0.00 ATOM 244 CA ALA 35 -15.595 4.287 23.821 1.00 0.00 ATOM 245 CB ALA 35 -15.328 5.383 22.775 1.00 0.00 ATOM 246 O ALA 35 -17.753 4.821 24.671 1.00 0.00 ATOM 247 C ALA 35 -16.546 4.795 24.887 1.00 0.00 ATOM 248 N MET 36 -16.013 5.172 26.046 1.00 0.00 ATOM 249 CA MET 36 -16.800 5.716 27.135 1.00 0.00 ATOM 250 CB MET 36 -17.042 4.663 28.209 1.00 0.00 ATOM 251 CG MET 36 -17.934 3.540 27.770 1.00 0.00 ATOM 252 SD MET 36 -18.572 2.587 29.341 1.00 0.00 ATOM 253 CE MET 36 -19.299 0.918 28.472 1.00 0.00 ATOM 254 O MET 36 -14.849 7.056 27.499 1.00 0.00 ATOM 255 C MET 36 -16.046 6.894 27.722 1.00 0.00 ATOM 256 N MET 37 -16.743 7.751 28.446 1.00 0.00 ATOM 257 CA MET 37 -16.127 8.981 28.900 1.00 0.00 ATOM 258 CB MET 37 -17.121 10.125 28.776 1.00 0.00 ATOM 259 CG MET 37 -16.476 11.499 28.777 1.00 0.00 ATOM 260 SD MET 37 -17.599 12.861 29.689 1.00 0.00 ATOM 261 CE MET 37 -16.669 14.497 29.031 1.00 0.00 ATOM 262 O MET 37 -16.426 8.294 31.141 1.00 0.00 ATOM 263 C MET 37 -15.681 8.809 30.342 1.00 0.00 ATOM 264 N ARG 38 -14.480 9.250 30.683 1.00 0.00 ATOM 265 CA ARG 38 -14.008 9.191 32.064 1.00 0.00 ATOM 266 CB ARG 38 -12.488 9.238 32.133 1.00 0.00 ATOM 267 CG ARG 38 -12.006 9.037 33.595 1.00 0.00 ATOM 268 CD ARG 38 -10.511 9.068 33.761 1.00 0.00 ATOM 269 NE ARG 38 -9.925 10.289 33.226 1.00 0.00 ATOM 270 CZ ARG 38 -9.991 11.483 33.798 1.00 0.00 ATOM 271 NH1 ARG 38 -10.602 11.650 34.965 1.00 0.00 ATOM 272 NH2 ARG 38 -9.421 12.517 33.198 1.00 0.00 ATOM 273 O ARG 38 -14.289 11.490 32.553 1.00 0.00 ATOM 274 C ARG 38 -14.558 10.339 32.875 1.00 0.00 ATOM 275 N LEU 39 -15.319 10.039 33.930 1.00 0.00 ATOM 276 CA LEU 39 -15.846 11.078 34.819 1.00 0.00 ATOM 277 CB LEU 39 -17.192 10.648 35.420 1.00 0.00 ATOM 278 CG LEU 39 -18.348 10.439 34.433 1.00 0.00 ATOM 279 CD1 LEU 39 -19.467 9.554 35.055 1.00 0.00 ATOM 280 CD2 LEU 39 -18.871 11.783 33.981 1.00 0.00 ATOM 281 O LEU 39 -14.642 12.570 36.209 1.00 0.00 ATOM 282 C LEU 39 -14.882 11.416 35.938 1.00 0.00 ATOM 283 N LYS 40 -14.346 10.412 36.598 1.00 0.00 ATOM 284 CA LYS 40 -13.489 10.583 37.773 1.00 0.00 ATOM 285 CB LYS 40 -14.368 10.838 39.015 1.00 0.00 ATOM 286 CG LYS 40 -13.713 11.683 40.145 1.00 0.00 ATOM 287 CD LYS 40 -14.528 11.725 41.492 1.00 0.00 ATOM 288 CE LYS 40 -14.182 13.006 42.394 1.00 0.00 ATOM 289 NZ LYS 40 -14.095 12.805 43.928 1.00 0.00 ATOM 290 O LYS 40 -13.044 8.246 37.365 1.00 0.00 ATOM 291 C LYS 40 -12.675 9.278 37.923 1.00 0.00 ATOM 292 N HIS 41 -11.549 9.322 38.628 1.00 0.00 ATOM 293 CA HIS 41 -10.796 8.127 38.953 1.00 0.00 ATOM 294 CB HIS 41 -9.779 7.726 37.859 1.00 0.00 ATOM 295 CG HIS 41 -8.707 8.742 37.644 1.00 0.00 ATOM 296 CD2 HIS 41 -8.763 9.974 37.092 1.00 0.00 ATOM 297 ND1 HIS 41 -7.413 8.579 38.091 1.00 0.00 ATOM 298 CE1 HIS 41 -6.709 9.647 37.775 1.00 0.00 ATOM 299 NE2 HIS 41 -7.509 10.517 37.189 1.00 0.00 ATOM 300 O HIS 41 -9.991 9.519 40.718 1.00 0.00 ATOM 301 C HIS 41 -10.063 8.390 40.251 1.00 0.00 ATOM 302 N ASP 42 -9.566 7.310 40.824 1.00 0.00 ATOM 303 CA ASP 42 -8.652 7.342 41.933 1.00 0.00 ATOM 304 CB ASP 42 -9.347 6.903 43.215 1.00 0.00 ATOM 305 CG ASP 42 -8.553 7.262 44.449 1.00 0.00 ATOM 306 OD1 ASP 42 -7.644 6.494 44.788 1.00 0.00 ATOM 307 OD2 ASP 42 -8.827 8.334 45.053 1.00 0.00 ATOM 308 O ASP 42 -7.590 5.217 41.650 1.00 0.00 ATOM 309 C ASP 42 -7.473 6.429 41.610 1.00 0.00 ATOM 310 N GLY 43 -6.331 7.044 41.308 1.00 0.00 ATOM 311 CA GLY 43 -5.154 6.339 40.799 1.00 0.00 ATOM 312 O GLY 43 -6.189 5.825 38.728 1.00 0.00 ATOM 313 C GLY 43 -5.469 5.439 39.641 1.00 0.00 ATOM 314 N LEU 44 -4.966 4.209 39.740 1.00 0.00 ATOM 315 CA LEU 44 -5.274 3.109 38.819 1.00 0.00 ATOM 316 CB LEU 44 -3.981 2.364 38.478 1.00 0.00 ATOM 317 CG LEU 44 -2.862 3.228 37.901 1.00 0.00 ATOM 318 CD1 LEU 44 -1.563 2.410 37.668 1.00 0.00 ATOM 319 CD2 LEU 44 -3.321 3.853 36.604 1.00 0.00 ATOM 320 O LEU 44 -6.549 1.073 38.713 1.00 0.00 ATOM 321 C LEU 44 -6.296 2.097 39.357 1.00 0.00 ATOM 322 N LYS 45 -6.897 2.366 40.516 1.00 0.00 ATOM 323 CA LYS 45 -7.794 1.394 41.138 1.00 0.00 ATOM 324 CB LYS 45 -7.610 1.398 42.669 1.00 0.00 ATOM 325 CG LYS 45 -8.388 0.304 43.424 1.00 0.00 ATOM 326 CD LYS 45 -8.035 -1.104 42.994 1.00 0.00 ATOM 327 CE LYS 45 -8.632 -2.186 43.912 1.00 0.00 ATOM 328 NZ LYS 45 -8.325 -3.586 43.442 1.00 0.00 ATOM 329 O LYS 45 -9.988 0.659 40.597 1.00 0.00 ATOM 330 C LYS 45 -9.265 1.607 40.768 1.00 0.00 ATOM 331 N LYS 46 -9.731 2.852 40.707 1.00 0.00 ATOM 332 CA LYS 46 -11.149 3.092 40.479 1.00 0.00 ATOM 333 CB LYS 46 -11.841 3.520 41.764 1.00 0.00 ATOM 334 CG LYS 46 -11.791 2.465 42.835 1.00 0.00 ATOM 335 CD LYS 46 -13.039 2.467 43.695 1.00 0.00 ATOM 336 CE LYS 46 -14.080 1.477 43.197 1.00 0.00 ATOM 337 NZ LYS 46 -13.979 0.153 43.920 1.00 0.00 ATOM 338 O LYS 46 -10.636 5.164 39.453 1.00 0.00 ATOM 339 C LYS 46 -11.340 4.137 39.441 1.00 0.00 ATOM 340 N PHE 47 -12.297 3.856 38.551 1.00 0.00 ATOM 341 CA PHE 47 -12.643 4.690 37.405 1.00 0.00 ATOM 342 CB PHE 47 -12.107 4.077 36.130 1.00 0.00 ATOM 343 CG PHE 47 -10.650 4.105 36.061 1.00 0.00 ATOM 344 CD1 PHE 47 -9.894 3.096 36.652 1.00 0.00 ATOM 345 CD2 PHE 47 -10.005 5.166 35.467 1.00 0.00 ATOM 346 CE1 PHE 47 -8.517 3.152 36.631 1.00 0.00 ATOM 347 CE2 PHE 47 -8.637 5.225 35.447 1.00 0.00 ATOM 348 CZ PHE 47 -7.893 4.218 36.022 1.00 0.00 ATOM 349 O PHE 47 -14.829 3.793 37.246 1.00 0.00 ATOM 350 C PHE 47 -14.127 4.797 37.276 1.00 0.00 ATOM 351 N TRP 48 -14.621 6.025 37.241 1.00 0.00 ATOM 352 CA TRP 48 -16.050 6.246 37.008 1.00 0.00 ATOM 353 CB TRP 48 -16.617 7.279 37.996 1.00 0.00 ATOM 354 CG TRP 48 -16.670 6.716 39.385 1.00 0.00 ATOM 355 CD1 TRP 48 -17.681 5.990 39.932 1.00 0.00 ATOM 356 CD2 TRP 48 -15.636 6.780 40.374 1.00 0.00 ATOM 357 CE2 TRP 48 -16.098 6.085 41.517 1.00 0.00 ATOM 358 CE3 TRP 48 -14.359 7.335 40.397 1.00 0.00 ATOM 359 NE1 TRP 48 -17.348 5.604 41.226 1.00 0.00 ATOM 360 CZ2 TRP 48 -15.342 5.977 42.685 1.00 0.00 ATOM 361 CZ3 TRP 48 -13.603 7.232 41.571 1.00 0.00 ATOM 362 CH2 TRP 48 -14.095 6.557 42.691 1.00 0.00 ATOM 363 O TRP 48 -15.550 7.613 35.134 1.00 0.00 ATOM 364 C TRP 48 -16.226 6.681 35.576 1.00 0.00 ATOM 365 N LEU 49 -17.116 5.990 34.864 1.00 0.00 ATOM 366 CA LEU 49 -17.282 6.164 33.438 1.00 0.00 ATOM 367 CB LEU 49 -16.948 4.869 32.692 1.00 0.00 ATOM 368 CG LEU 49 -15.589 4.222 33.011 1.00 0.00 ATOM 369 CD1 LEU 49 -15.479 2.864 32.412 1.00 0.00 ATOM 370 CD2 LEU 49 -14.496 5.120 32.536 1.00 0.00 ATOM 371 O LEU 49 -19.585 6.127 33.878 1.00 0.00 ATOM 372 C LEU 49 -18.710 6.501 33.143 1.00 0.00 ATOM 373 N SER 50 -18.957 7.220 32.064 1.00 0.00 ATOM 374 CA SER 50 -20.326 7.338 31.579 1.00 0.00 ATOM 375 CB SER 50 -20.850 8.750 31.698 1.00 0.00 ATOM 376 OG SER 50 -20.152 9.550 30.773 1.00 0.00 ATOM 377 O SER 50 -19.447 6.988 29.393 1.00 0.00 ATOM 378 C SER 50 -20.418 6.923 30.145 1.00 0.00 ATOM 379 N THR 51 -21.612 6.485 29.782 1.00 0.00 ATOM 380 CA THR 51 -21.938 6.133 28.441 1.00 0.00 ATOM 381 CB THR 51 -21.479 4.687 28.151 1.00 0.00 ATOM 382 CG2 THR 51 -22.302 3.713 28.912 1.00 0.00 ATOM 383 OG1 THR 51 -21.579 4.419 26.754 1.00 0.00 ATOM 384 O THR 51 -24.171 6.580 29.292 1.00 0.00 ATOM 385 C THR 51 -23.460 6.296 28.315 1.00 0.00 ATOM 386 N ASN 52 -23.973 6.147 27.113 1.00 0.00 ATOM 387 CA ASN 52 -25.391 6.324 26.922 1.00 0.00 ATOM 388 CB ASN 52 -25.693 6.610 25.458 1.00 0.00 ATOM 389 CG ASN 52 -25.364 5.437 24.579 1.00 0.00 ATOM 390 ND2 ASN 52 -26.393 4.699 24.167 1.00 0.00 ATOM 391 OD1 ASN 52 -24.191 5.157 24.326 1.00 0.00 ATOM 392 O ASN 52 -25.597 3.979 27.250 1.00 0.00 ATOM 393 C ASN 52 -26.091 5.082 27.427 1.00 0.00 ATOM 394 N THR 53 -27.228 5.290 28.081 1.00 0.00 ATOM 395 CA THR 53 -28.134 4.234 28.484 1.00 0.00 ATOM 396 CB THR 53 -29.396 4.861 29.030 1.00 0.00 ATOM 397 CG2 THR 53 -30.308 3.818 29.678 1.00 0.00 ATOM 398 OG1 THR 53 -29.020 5.844 29.993 1.00 0.00 ATOM 399 O THR 53 -28.772 3.694 26.237 1.00 0.00 ATOM 400 C THR 53 -28.488 3.271 27.344 1.00 0.00 ATOM 401 N SER 54 -28.426 1.980 27.637 1.00 0.00 ATOM 402 CA SER 54 -28.596 0.918 26.650 1.00 0.00 ATOM 403 CB SER 54 -27.299 0.653 25.865 1.00 0.00 ATOM 404 OG SER 54 -27.302 -0.624 25.247 1.00 0.00 ATOM 405 O SER 54 -28.261 -0.797 28.274 1.00 0.00 ATOM 406 C SER 54 -28.997 -0.330 27.402 1.00 0.00 ATOM 407 N THR 55 -30.173 -0.861 27.080 1.00 0.00 ATOM 408 CA THR 55 -30.693 -2.027 27.786 1.00 0.00 ATOM 409 CB THR 55 -32.199 -2.236 27.476 1.00 0.00 ATOM 410 CG2 THR 55 -33.023 -1.086 28.010 1.00 0.00 ATOM 411 OG1 THR 55 -32.387 -2.327 26.063 1.00 0.00 ATOM 412 O THR 55 -29.785 -4.214 28.253 1.00 0.00 ATOM 413 C THR 55 -29.906 -3.298 27.442 1.00 0.00 ATOM 414 N ARG 56 -29.398 -3.345 26.221 1.00 0.00 ATOM 415 CA ARG 56 -28.539 -4.428 25.768 1.00 0.00 ATOM 416 CB ARG 56 -28.236 -4.197 24.283 1.00 0.00 ATOM 417 CG ARG 56 -27.152 -5.013 23.643 1.00 0.00 ATOM 418 CD ARG 56 -27.091 -4.694 22.129 1.00 0.00 ATOM 419 NE ARG 56 -28.244 -5.236 21.403 1.00 0.00 ATOM 420 O ARG 56 -26.848 -5.579 27.045 1.00 0.00 ATOM 421 C ARG 56 -27.257 -4.508 26.613 1.00 0.00 ATOM 422 N MET 57 -26.637 -3.369 26.847 1.00 0.00 ATOM 423 CA MET 57 -25.442 -3.301 27.690 1.00 0.00 ATOM 424 CB MET 57 -24.789 -1.921 27.522 1.00 0.00 ATOM 425 CG MET 57 -23.588 -1.614 28.418 1.00 0.00 ATOM 426 SD MET 57 -22.056 -2.695 27.909 1.00 0.00 ATOM 427 CE MET 57 -21.286 -1.534 26.519 1.00 0.00 ATOM 428 O MET 57 -24.953 -4.209 29.843 1.00 0.00 ATOM 429 C MET 57 -25.752 -3.591 29.169 1.00 0.00 ATOM 430 N VAL 58 -26.896 -3.134 29.677 1.00 0.00 ATOM 431 CA VAL 58 -27.282 -3.415 31.056 1.00 0.00 ATOM 432 CB VAL 58 -28.630 -2.676 31.481 1.00 0.00 ATOM 433 CG1 VAL 58 -29.119 -3.138 32.853 1.00 0.00 ATOM 434 CG2 VAL 58 -28.490 -1.154 31.453 1.00 0.00 ATOM 435 O VAL 58 -26.921 -5.504 32.180 1.00 0.00 ATOM 436 C VAL 58 -27.425 -4.946 31.222 1.00 0.00 ATOM 437 N GLU 59 -28.089 -5.620 30.288 1.00 0.00 ATOM 438 CA GLU 59 -28.249 -7.081 30.398 1.00 0.00 ATOM 439 CB GLU 59 -29.255 -7.641 29.374 1.00 0.00 ATOM 440 CG GLU 59 -30.762 -7.233 29.583 1.00 0.00 ATOM 441 CD GLU 59 -31.158 -6.800 31.032 1.00 0.00 ATOM 442 OE1 GLU 59 -31.141 -7.655 31.956 1.00 0.00 ATOM 443 OE2 GLU 59 -31.515 -5.603 31.234 1.00 0.00 ATOM 444 O GLU 59 -26.698 -8.807 30.974 1.00 0.00 ATOM 445 C GLU 59 -26.932 -7.830 30.267 1.00 0.00 ATOM 446 N ARG 60 -26.100 -7.390 29.333 1.00 0.00 ATOM 447 CA ARG 60 -24.758 -7.902 29.179 1.00 0.00 ATOM 448 CB ARG 60 -23.966 -7.080 28.146 1.00 0.00 ATOM 449 CG ARG 60 -22.523 -7.634 27.915 1.00 0.00 ATOM 450 CD ARG 60 -21.709 -6.847 26.892 1.00 0.00 ATOM 451 NE ARG 60 -22.408 -6.844 25.620 1.00 0.00 ATOM 452 CZ ARG 60 -22.222 -5.938 24.668 1.00 0.00 ATOM 453 NH1 ARG 60 -21.312 -4.977 24.807 1.00 0.00 ATOM 454 NH2 ARG 60 -22.953 -5.995 23.564 1.00 0.00 ATOM 455 O ARG 60 -23.532 -8.850 30.995 1.00 0.00 ATOM 456 C ARG 60 -24.022 -7.841 30.505 1.00 0.00 ATOM 457 N LEU 61 -23.938 -6.650 31.083 1.00 0.00 ATOM 458 CA LEU 61 -23.108 -6.483 32.253 1.00 0.00 ATOM 459 CB LEU 61 -22.891 -5.006 32.537 1.00 0.00 ATOM 460 CG LEU 61 -22.050 -4.297 31.491 1.00 0.00 ATOM 461 CD1 LEU 61 -21.964 -2.828 31.876 1.00 0.00 ATOM 462 CD2 LEU 61 -20.622 -4.906 31.357 1.00 0.00 ATOM 463 O LEU 61 -22.835 -7.468 34.385 1.00 0.00 ATOM 464 C LEU 61 -23.628 -7.170 33.497 1.00 0.00 ATOM 465 N LYS 62 -24.937 -7.450 33.553 1.00 0.00 ATOM 466 CA LYS 62 -25.518 -8.209 34.663 1.00 0.00 ATOM 467 CB LYS 62 -27.026 -7.966 34.763 1.00 0.00 ATOM 468 CG LYS 62 -27.861 -8.794 33.803 1.00 0.00 ATOM 469 O LYS 62 -25.063 -10.387 35.535 1.00 0.00 ATOM 470 C LYS 62 -25.223 -9.696 34.530 1.00 0.00 ATOM 471 N LYS 63 -25.147 -10.193 33.295 1.00 0.00 ATOM 472 CA LYS 63 -24.679 -11.559 33.063 1.00 0.00 ATOM 473 CB LYS 63 -24.959 -11.996 31.608 1.00 0.00 ATOM 474 CG LYS 63 -26.444 -12.278 31.278 1.00 0.00 ATOM 475 CD LYS 63 -26.711 -12.392 29.757 1.00 0.00 ATOM 476 O LYS 63 -22.722 -12.662 33.901 1.00 0.00 ATOM 477 C LYS 63 -23.177 -11.684 33.337 1.00 0.00 ATOM 478 N ASN 64 -22.394 -10.709 32.895 1.00 0.00 ATOM 479 CA ASN 64 -20.941 -10.823 32.937 1.00 0.00 ATOM 480 CB ASN 64 -20.474 -11.528 31.669 1.00 0.00 ATOM 481 CG ASN 64 -19.036 -11.976 31.724 1.00 0.00 ATOM 482 ND2 ASN 64 -18.744 -13.072 31.041 1.00 0.00 ATOM 483 OD1 ASN 64 -18.183 -11.318 32.306 1.00 0.00 ATOM 484 O ASN 64 -20.299 -8.673 32.127 1.00 0.00 ATOM 485 C ASN 64 -20.327 -9.450 33.083 1.00 0.00 ATOM 486 N ASN 65 -19.869 -9.127 34.295 1.00 0.00 ATOM 487 CA ASN 65 -19.302 -7.796 34.576 1.00 0.00 ATOM 488 CB ASN 65 -19.789 -7.258 35.941 1.00 0.00 ATOM 489 CG ASN 65 -19.215 -8.021 37.115 1.00 0.00 ATOM 490 ND2 ASN 65 -19.189 -7.393 38.269 1.00 0.00 ATOM 491 OD1 ASN 65 -18.785 -9.149 36.977 1.00 0.00 ATOM 492 O ASN 65 -17.177 -6.755 34.932 1.00 0.00 ATOM 493 C ASN 65 -17.772 -7.735 34.499 1.00 0.00 ATOM 494 N LYS 66 -17.131 -8.763 33.935 1.00 0.00 ATOM 495 CA LYS 66 -15.676 -8.709 33.701 1.00 0.00 ATOM 496 CB LYS 66 -15.123 -10.100 33.554 1.00 0.00 ATOM 497 CG LYS 66 -15.140 -10.877 34.846 1.00 0.00 ATOM 498 CD LYS 66 -14.477 -12.209 34.663 1.00 0.00 ATOM 499 CE LYS 66 -14.561 -13.043 35.911 1.00 0.00 ATOM 500 NZ LYS 66 -13.884 -14.382 35.679 1.00 0.00 ATOM 501 O LYS 66 -15.831 -8.267 31.359 1.00 0.00 ATOM 502 C LYS 66 -15.343 -7.920 32.446 1.00 0.00 ATOM 503 N ILE 67 -14.513 -6.887 32.607 1.00 0.00 ATOM 504 CA ILE 67 -14.193 -5.930 31.539 1.00 0.00 ATOM 505 CB ILE 67 -15.038 -4.645 31.631 1.00 0.00 ATOM 506 CG1 ILE 67 -14.652 -3.766 32.800 1.00 0.00 ATOM 507 CG2 ILE 67 -16.528 -4.926 31.746 1.00 0.00 ATOM 508 CD1 ILE 67 -14.960 -2.337 32.436 1.00 0.00 ATOM 509 O ILE 67 -11.986 -5.957 32.491 1.00 0.00 ATOM 510 C ILE 67 -12.727 -5.543 31.581 1.00 0.00 ATOM 511 N CYS 68 -12.300 -4.805 30.568 1.00 0.00 ATOM 512 CA CYS 68 -11.003 -4.119 30.596 1.00 0.00 ATOM 513 CB CYS 68 -9.985 -4.895 29.805 1.00 0.00 ATOM 514 SG CYS 68 -10.290 -4.834 28.062 1.00 0.00 ATOM 515 O CYS 68 -12.147 -2.412 29.418 1.00 0.00 ATOM 516 C CYS 68 -11.162 -2.711 30.081 1.00 0.00 ATOM 517 N LEU 69 -10.252 -1.829 30.508 1.00 0.00 ATOM 518 CA LEU 69 -10.100 -0.476 30.017 1.00 0.00 ATOM 519 CB LEU 69 -10.035 0.533 31.192 1.00 0.00 ATOM 520 CG LEU 69 -11.330 1.165 31.683 1.00 0.00 ATOM 521 CD1 LEU 69 -12.323 0.094 31.995 1.00 0.00 ATOM 522 CD2 LEU 69 -11.116 2.146 32.886 1.00 0.00 ATOM 523 O LEU 69 -7.800 -0.955 29.693 1.00 0.00 ATOM 524 C LEU 69 -8.796 -0.394 29.259 1.00 0.00 ATOM 525 N TYR 70 -8.758 0.355 28.169 1.00 0.00 ATOM 526 CA TYR 70 -7.510 0.588 27.486 1.00 0.00 ATOM 527 CB TYR 70 -7.495 -0.133 26.147 1.00 0.00 ATOM 528 CG TYR 70 -6.135 -0.117 25.468 1.00 0.00 ATOM 529 CD1 TYR 70 -5.201 -1.100 25.751 1.00 0.00 ATOM 530 CD2 TYR 70 -5.817 0.815 24.513 1.00 0.00 ATOM 531 CE1 TYR 70 -3.981 -1.115 25.145 1.00 0.00 ATOM 532 CE2 TYR 70 -4.567 0.820 23.909 1.00 0.00 ATOM 533 CZ TYR 70 -3.667 -0.168 24.217 1.00 0.00 ATOM 534 OH TYR 70 -2.417 -0.198 23.628 1.00 0.00 ATOM 535 O TYR 70 -8.263 2.709 26.736 1.00 0.00 ATOM 536 C TYR 70 -7.349 2.083 27.239 1.00 0.00 ATOM 537 N PHE 71 -6.181 2.595 27.596 1.00 0.00 ATOM 538 CA PHE 71 -5.811 4.013 27.453 1.00 0.00 ATOM 539 CB PHE 71 -5.287 4.547 28.779 1.00 0.00 ATOM 540 CG PHE 71 -6.305 4.526 29.878 1.00 0.00 ATOM 541 CD1 PHE 71 -6.434 3.420 30.681 1.00 0.00 ATOM 542 CD2 PHE 71 -7.116 5.628 30.111 1.00 0.00 ATOM 543 CE1 PHE 71 -7.359 3.381 31.696 1.00 0.00 ATOM 544 CE2 PHE 71 -8.042 5.614 31.125 1.00 0.00 ATOM 545 CZ PHE 71 -8.172 4.489 31.926 1.00 0.00 ATOM 546 O PHE 71 -3.629 3.518 26.569 1.00 0.00 ATOM 547 C PHE 71 -4.732 4.073 26.407 1.00 0.00 ATOM 548 N VAL 72 -5.079 4.691 25.300 1.00 0.00 ATOM 549 CA VAL 72 -4.165 4.928 24.199 1.00 0.00 ATOM 550 CB VAL 72 -4.971 5.266 22.915 1.00 0.00 ATOM 551 CG1 VAL 72 -4.058 5.610 21.750 1.00 0.00 ATOM 552 CG2 VAL 72 -5.894 4.085 22.540 1.00 0.00 ATOM 553 O VAL 72 -3.608 7.180 24.866 1.00 0.00 ATOM 554 C VAL 72 -3.200 6.083 24.485 1.00 0.00 ATOM 555 N ASP 73 -1.913 5.845 24.262 1.00 0.00 ATOM 556 CA ASP 73 -0.934 6.917 24.244 1.00 0.00 ATOM 557 CB ASP 73 0.456 6.388 24.565 1.00 0.00 ATOM 558 CG ASP 73 1.412 7.495 24.940 1.00 0.00 ATOM 559 OD1 ASP 73 1.328 8.568 24.311 1.00 0.00 ATOM 560 OD2 ASP 73 2.236 7.306 25.859 1.00 0.00 ATOM 561 O ASP 73 -0.782 6.908 21.841 1.00 0.00 ATOM 562 C ASP 73 -0.949 7.584 22.857 1.00 0.00 ATOM 563 N ASP 74 -1.170 8.898 22.826 1.00 0.00 ATOM 564 CA ASP 74 -1.408 9.628 21.575 1.00 0.00 ATOM 565 CB ASP 74 -2.300 10.856 21.834 1.00 0.00 ATOM 566 CG ASP 74 -3.793 10.576 21.662 1.00 0.00 ATOM 567 OD1 ASP 74 -4.234 9.404 21.655 1.00 0.00 ATOM 568 OD2 ASP 74 -4.541 11.569 21.535 1.00 0.00 ATOM 569 O ASP 74 -0.150 10.661 19.806 1.00 0.00 ATOM 570 C ASP 74 -0.116 10.116 20.920 1.00 0.00 ATOM 571 N ASN 75 1.013 9.957 21.612 1.00 0.00 ATOM 572 CA ASN 75 2.284 10.486 21.124 1.00 0.00 ATOM 573 CB ASN 75 2.812 11.540 22.102 1.00 0.00 ATOM 574 CG ASN 75 1.732 12.530 22.523 1.00 0.00 ATOM 575 ND2 ASN 75 1.563 12.686 23.834 1.00 0.00 ATOM 576 OD1 ASN 75 1.044 13.134 21.678 1.00 0.00 ATOM 577 O ASN 75 4.440 9.748 20.435 1.00 0.00 ATOM 578 C ASN 75 3.341 9.421 20.876 1.00 0.00 ATOM 579 N LYS 76 3.020 8.160 21.148 1.00 0.00 ATOM 580 CA LYS 76 3.957 7.063 20.911 1.00 0.00 ATOM 581 CB LYS 76 5.115 7.092 21.917 1.00 0.00 ATOM 582 CG LYS 76 4.710 7.026 23.365 1.00 0.00 ATOM 583 CD LYS 76 5.899 7.308 24.261 1.00 0.00 ATOM 584 CE LYS 76 5.533 7.237 25.737 1.00 0.00 ATOM 585 NZ LYS 76 4.563 8.288 26.139 1.00 0.00 ATOM 586 O LYS 76 2.133 5.651 21.519 1.00 0.00 ATOM 587 C LYS 76 3.242 5.731 20.983 1.00 0.00 ATOM 588 N PHE 77 3.860 4.691 20.432 1.00 0.00 ATOM 589 CA PHE 77 3.216 3.381 20.395 1.00 0.00 ATOM 590 CB PHE 77 3.823 2.475 19.326 1.00 0.00 ATOM 591 CG PHE 77 2.978 1.278 19.007 1.00 0.00 ATOM 592 CD1 PHE 77 1.689 1.433 18.519 1.00 0.00 ATOM 593 CD2 PHE 77 3.465 -0.004 19.177 1.00 0.00 ATOM 594 CE1 PHE 77 0.889 0.311 18.206 1.00 0.00 ATOM 595 CE2 PHE 77 2.669 -1.121 18.876 1.00 0.00 ATOM 596 CZ PHE 77 1.381 -0.950 18.384 1.00 0.00 ATOM 597 O PHE 77 4.244 2.058 22.149 1.00 0.00 ATOM 598 C PHE 77 3.281 2.738 21.792 1.00 0.00 ATOM 599 N ALA 78 2.238 2.993 22.579 1.00 0.00 ATOM 600 CA ALA 78 2.192 2.570 23.967 1.00 0.00 ATOM 601 CB ALA 78 3.223 3.363 24.801 1.00 0.00 ATOM 602 O ALA 78 -0.032 3.530 24.029 1.00 0.00 ATOM 603 C ALA 78 0.788 2.748 24.524 1.00 0.00 ATOM 604 N GLY 79 0.491 1.992 25.551 1.00 0.00 ATOM 605 CA GLY 79 -0.823 2.078 26.161 1.00 0.00 ATOM 606 O GLY 79 -0.014 0.557 27.807 1.00 0.00 ATOM 607 C GLY 79 -0.923 1.313 27.453 1.00 0.00 ATOM 608 N LEU 80 -2.029 1.536 28.154 1.00 0.00 ATOM 609 CA LEU 80 -2.279 0.894 29.448 1.00 0.00 ATOM 610 CB LEU 80 -2.329 1.953 30.539 1.00 0.00 ATOM 611 CG LEU 80 -2.711 1.483 31.945 1.00 0.00 ATOM 612 CD1 LEU 80 -1.669 0.591 32.522 1.00 0.00 ATOM 613 CD2 LEU 80 -2.965 2.724 32.810 1.00 0.00 ATOM 614 O LEU 80 -4.577 0.708 28.953 1.00 0.00 ATOM 615 C LEU 80 -3.579 0.171 29.391 1.00 0.00 ATOM 616 N MET 81 -3.567 -1.072 29.823 1.00 0.00 ATOM 617 CA MET 81 -4.749 -1.858 29.884 1.00 0.00 ATOM 618 CB MET 81 -4.543 -3.170 29.136 1.00 0.00 ATOM 619 CG MET 81 -5.799 -3.709 28.580 1.00 0.00 ATOM 620 SD MET 81 -6.018 -5.553 28.966 1.00 0.00 ATOM 621 CE MET 81 -4.298 -6.328 28.623 1.00 0.00 ATOM 622 O MET 81 -4.090 -2.649 32.012 1.00 0.00 ATOM 623 C MET 81 -4.993 -2.176 31.336 1.00 0.00 ATOM 624 N LEU 82 -6.194 -1.903 31.815 1.00 0.00 ATOM 625 CA LEU 82 -6.606 -2.378 33.137 1.00 0.00 ATOM 626 CB LEU 82 -7.044 -1.219 34.014 1.00 0.00 ATOM 627 CG LEU 82 -6.087 -0.022 34.140 1.00 0.00 ATOM 628 CD1 LEU 82 -6.799 1.122 34.878 1.00 0.00 ATOM 629 CD2 LEU 82 -4.771 -0.342 34.867 1.00 0.00 ATOM 630 O LEU 82 -8.585 -3.308 32.146 1.00 0.00 ATOM 631 C LEU 82 -7.709 -3.403 32.998 1.00 0.00 ATOM 632 N VAL 83 -7.653 -4.402 33.856 1.00 0.00 ATOM 633 CA VAL 83 -8.633 -5.450 33.867 1.00 0.00 ATOM 634 CB VAL 83 -7.931 -6.768 33.558 1.00 0.00 ATOM 635 CG1 VAL 83 -8.829 -7.907 33.818 1.00 0.00 ATOM 636 CG2 VAL 83 -7.433 -6.775 32.092 1.00 0.00 ATOM 637 O VAL 83 -8.625 -5.356 36.243 1.00 0.00 ATOM 638 C VAL 83 -9.289 -5.498 35.239 1.00 0.00 ATOM 639 N GLY 84 -10.597 -5.719 35.269 1.00 0.00 ATOM 640 CA GLY 84 -11.367 -5.869 36.533 1.00 0.00 ATOM 641 O GLY 84 -13.260 -6.552 35.215 1.00 0.00 ATOM 642 C GLY 84 -12.859 -6.023 36.257 1.00 0.00 ATOM 643 N THR 85 -13.684 -5.538 37.173 1.00 0.00 ATOM 644 CA THR 85 -15.129 -5.666 37.081 1.00 0.00 ATOM 645 CB THR 85 -15.649 -6.519 38.199 1.00 0.00 ATOM 646 CG2 THR 85 -15.038 -7.889 38.126 1.00 0.00 ATOM 647 OG1 THR 85 -15.314 -5.911 39.451 1.00 0.00 ATOM 648 O THR 85 -15.248 -3.339 37.643 1.00 0.00 ATOM 649 C THR 85 -15.810 -4.294 37.133 1.00 0.00 ATOM 650 N ILE 86 -17.022 -4.212 36.588 1.00 0.00 ATOM 651 CA ILE 86 -17.728 -2.941 36.490 1.00 0.00 ATOM 652 CB ILE 86 -17.810 -2.492 35.040 1.00 0.00 ATOM 653 CG1 ILE 86 -18.049 -0.979 34.943 1.00 0.00 ATOM 654 CG2 ILE 86 -18.886 -3.227 34.247 1.00 0.00 ATOM 655 CD1 ILE 86 -17.717 -0.406 33.546 1.00 0.00 ATOM 656 O ILE 86 -19.677 -4.146 37.128 1.00 0.00 ATOM 657 C ILE 86 -19.103 -3.063 37.125 1.00 0.00 ATOM 658 N GLU 87 -19.648 -1.953 37.626 1.00 0.00 ATOM 659 CA GLU 87 -21.008 -1.951 38.170 1.00 0.00 ATOM 660 CB GLU 87 -20.996 -2.045 39.708 1.00 0.00 ATOM 661 CG GLU 87 -20.835 -0.693 40.389 1.00 0.00 ATOM 662 CD GLU 87 -20.566 -0.755 41.914 1.00 0.00 ATOM 663 OE1 GLU 87 -21.571 -0.910 42.682 1.00 0.00 ATOM 664 OE2 GLU 87 -19.353 -0.610 42.312 1.00 0.00 ATOM 665 O GLU 87 -21.136 0.391 37.713 1.00 0.00 ATOM 666 C GLU 87 -21.714 -0.690 37.702 1.00 0.00 ATOM 667 N ILE 88 -22.963 -0.845 37.259 1.00 0.00 ATOM 668 CA ILE 88 -23.770 0.278 36.869 1.00 0.00 ATOM 669 CB ILE 88 -24.932 -0.150 35.947 1.00 0.00 ATOM 670 CG1 ILE 88 -24.384 -0.716 34.633 1.00 0.00 ATOM 671 CG2 ILE 88 -25.767 1.039 35.594 1.00 0.00 ATOM 672 CD1 ILE 88 -25.302 -1.734 33.976 1.00 0.00 ATOM 673 O ILE 88 -24.792 0.269 39.036 1.00 0.00 ATOM 674 C ILE 88 -24.313 0.952 38.135 1.00 0.00 ATOM 675 N LEU 89 -24.212 2.279 38.176 1.00 0.00 ATOM 676 CA LEU 89 -24.704 3.082 39.288 1.00 0.00 ATOM 677 CB LEU 89 -23.714 4.189 39.636 1.00 0.00 ATOM 678 CG LEU 89 -22.265 3.778 39.950 1.00 0.00 ATOM 679 CD1 LEU 89 -21.342 4.937 40.238 1.00 0.00 ATOM 680 CD2 LEU 89 -22.212 2.779 41.088 1.00 0.00 ATOM 681 O LEU 89 -26.132 4.685 38.200 1.00 0.00 ATOM 682 C LEU 89 -26.058 3.648 38.866 1.00 0.00 ATOM 683 N HIS 90 -27.126 2.934 39.215 1.00 0.00 ATOM 684 CA HIS 90 -28.473 3.304 38.796 1.00 0.00 ATOM 685 CB HIS 90 -29.400 2.107 38.958 1.00 0.00 ATOM 686 CG HIS 90 -29.119 0.989 38.005 1.00 0.00 ATOM 687 CD2 HIS 90 -28.651 -0.267 38.221 1.00 0.00 ATOM 688 ND1 HIS 90 -29.321 1.098 36.643 1.00 0.00 ATOM 689 CE1 HIS 90 -29.004 -0.046 36.063 1.00 0.00 ATOM 690 NE2 HIS 90 -28.597 -0.892 36.999 1.00 0.00 ATOM 691 O HIS 90 -30.009 5.111 39.164 1.00 0.00 ATOM 692 C HIS 90 -29.051 4.472 39.590 1.00 0.00 ATOM 693 N ASP 91 -28.457 4.740 40.754 1.00 0.00 ATOM 694 CA ASP 91 -29.012 5.703 41.713 1.00 0.00 ATOM 695 CB ASP 91 -28.546 5.326 43.146 1.00 0.00 ATOM 696 CG ASP 91 -27.027 5.320 43.287 1.00 0.00 ATOM 697 OD1 ASP 91 -26.335 4.402 42.755 1.00 0.00 ATOM 698 OD2 ASP 91 -26.514 6.248 43.921 1.00 0.00 ATOM 699 O ASP 91 -27.519 7.466 40.999 1.00 0.00 ATOM 700 C ASP 91 -28.663 7.146 41.370 1.00 0.00 ATOM 701 N ARG 92 -29.653 8.028 41.509 1.00 0.00 ATOM 702 CA ARG 92 -29.465 9.428 41.223 1.00 0.00 ATOM 703 CB ARG 92 -30.764 10.221 41.363 1.00 0.00 ATOM 704 CG ARG 92 -30.717 11.595 40.715 1.00 0.00 ATOM 705 CD ARG 92 -31.921 12.418 41.069 1.00 0.00 ATOM 706 NE ARG 92 -31.959 13.648 40.315 1.00 0.00 ATOM 707 CZ ARG 92 -31.222 14.721 40.584 1.00 0.00 ATOM 708 NH1 ARG 92 -30.377 14.741 41.606 1.00 0.00 ATOM 709 NH2 ARG 92 -31.310 15.777 39.804 1.00 0.00 ATOM 710 O ARG 92 -27.652 10.896 41.665 1.00 0.00 ATOM 711 C ARG 92 -28.394 10.048 42.113 1.00 0.00 ATOM 712 N ALA 93 -28.318 9.655 43.371 1.00 0.00 ATOM 713 CA ALA 93 -27.291 10.214 44.254 1.00 0.00 ATOM 714 CB ALA 93 -27.363 9.515 45.637 1.00 0.00 ATOM 715 O ALA 93 -25.136 11.091 43.565 1.00 0.00 ATOM 716 C ALA 93 -25.865 10.103 43.628 1.00 0.00 ATOM 717 N SER 94 -25.483 8.898 43.166 1.00 0.00 ATOM 718 CA SER 94 -24.190 8.652 42.535 1.00 0.00 ATOM 719 CB SER 94 -24.019 7.157 42.200 1.00 0.00 ATOM 720 OG SER 94 -24.021 6.360 43.381 1.00 0.00 ATOM 721 O SER 94 -22.954 10.096 41.067 1.00 0.00 ATOM 722 C SER 94 -24.014 9.482 41.271 1.00 0.00 ATOM 723 N LYS 95 -25.073 9.559 40.457 1.00 0.00 ATOM 724 CA LYS 95 -25.026 10.298 39.204 1.00 0.00 ATOM 725 CB LYS 95 -26.294 10.023 38.382 1.00 0.00 ATOM 726 CG LYS 95 -26.409 8.564 37.972 1.00 0.00 ATOM 727 CD LYS 95 -27.819 8.153 37.581 1.00 0.00 ATOM 728 CE LYS 95 -28.182 8.701 36.253 1.00 0.00 ATOM 729 NZ LYS 95 -29.547 8.263 35.850 1.00 0.00 ATOM 730 O LYS 95 -24.193 12.470 38.641 1.00 0.00 ATOM 731 C LYS 95 -24.853 11.781 39.425 1.00 0.00 ATOM 732 N GLU 96 -25.457 12.276 40.498 1.00 0.00 ATOM 733 CA GLU 96 -25.275 13.650 40.877 1.00 0.00 ATOM 734 CB GLU 96 -26.234 13.994 42.003 1.00 0.00 ATOM 735 CG GLU 96 -26.129 15.410 42.442 1.00 0.00 ATOM 736 CD GLU 96 -27.189 15.810 43.472 1.00 0.00 ATOM 737 OE1 GLU 96 -27.677 14.950 44.257 1.00 0.00 ATOM 738 OE2 GLU 96 -27.514 17.011 43.488 1.00 0.00 ATOM 739 O GLU 96 -23.215 14.883 40.918 1.00 0.00 ATOM 740 C GLU 96 -23.823 13.893 41.313 1.00 0.00 ATOM 741 N MET 97 -23.268 12.982 42.114 1.00 0.00 ATOM 742 CA MET 97 -21.916 13.151 42.614 1.00 0.00 ATOM 743 CB MET 97 -21.599 12.073 43.638 1.00 0.00 ATOM 744 CG MET 97 -22.295 12.335 44.897 1.00 0.00 ATOM 745 SD MET 97 -21.724 11.185 46.360 1.00 0.00 ATOM 746 CE MET 97 -22.201 9.391 45.667 1.00 0.00 ATOM 747 O MET 97 -19.818 13.790 41.602 1.00 0.00 ATOM 748 C MET 97 -20.854 13.097 41.527 1.00 0.00 ATOM 749 N LEU 98 -21.098 12.247 40.536 1.00 0.00 ATOM 750 CA LEU 98 -20.142 12.043 39.459 1.00 0.00 ATOM 751 CB LEU 98 -20.303 10.642 38.871 1.00 0.00 ATOM 752 CG LEU 98 -19.840 9.575 39.831 1.00 0.00 ATOM 753 CD1 LEU 98 -20.386 8.180 39.491 1.00 0.00 ATOM 754 CD2 LEU 98 -18.258 9.627 39.907 1.00 0.00 ATOM 755 O LEU 98 -19.431 13.094 37.446 1.00 0.00 ATOM 756 C LEU 98 -20.270 13.055 38.320 1.00 0.00 ATOM 757 N TRP 99 -21.331 13.832 38.312 1.00 0.00 ATOM 758 CA TRP 99 -21.553 14.801 37.249 1.00 0.00 ATOM 759 CB TRP 99 -22.928 15.440 37.409 1.00 0.00 ATOM 760 CG TRP 99 -23.263 16.486 36.370 1.00 0.00 ATOM 761 CD1 TRP 99 -22.999 17.806 36.424 1.00 0.00 ATOM 762 CD2 TRP 99 -23.935 16.256 35.144 1.00 0.00 ATOM 763 CE2 TRP 99 -24.051 17.494 34.490 1.00 0.00 ATOM 764 CE3 TRP 99 -24.451 15.121 34.530 1.00 0.00 ATOM 765 NE1 TRP 99 -23.469 18.438 35.295 1.00 0.00 ATOM 766 CZ2 TRP 99 -24.673 17.623 33.254 1.00 0.00 ATOM 767 CZ3 TRP 99 -25.081 15.249 33.304 1.00 0.00 ATOM 768 CH2 TRP 99 -25.169 16.484 32.673 1.00 0.00 ATOM 769 O TRP 99 -20.218 16.514 38.232 1.00 0.00 ATOM 770 C TRP 99 -20.484 15.873 37.222 1.00 0.00 ATOM 771 N THR 100 -19.924 16.070 36.029 1.00 0.00 ATOM 772 CA THR 100 -18.842 16.997 35.769 1.00 0.00 ATOM 773 CB THR 100 -17.614 16.282 35.140 1.00 0.00 ATOM 774 CG2 THR 100 -17.228 14.986 35.856 1.00 0.00 ATOM 775 OG1 THR 100 -17.922 15.940 33.781 1.00 0.00 ATOM 776 O THR 100 -20.054 17.549 33.792 1.00 0.00 ATOM 777 C THR 100 -19.334 17.955 34.698 1.00 0.00 ATOM 778 N ASP 101 -18.956 19.224 34.796 1.00 0.00 ATOM 779 CA ASP 101 -19.048 20.137 33.646 1.00 0.00 ATOM 780 CB ASP 101 -18.430 21.507 33.983 1.00 0.00 ATOM 781 CG ASP 101 -19.292 22.328 34.922 1.00 0.00 ATOM 782 OD1 ASP 101 -20.478 21.954 35.113 1.00 0.00 ATOM 783 OD2 ASP 101 -18.773 23.340 35.472 1.00 0.00 ATOM 784 O ASP 101 -17.175 19.056 32.550 1.00 0.00 ATOM 785 C ASP 101 -18.337 19.474 32.445 1.00 0.00 ATOM 786 N GLY 102 -19.050 19.352 31.324 1.00 0.00 ATOM 787 CA GLY 102 -18.613 18.506 30.213 1.00 0.00 ATOM 788 O GLY 102 -19.858 17.078 28.730 1.00 0.00 ATOM 789 C GLY 102 -19.674 17.469 29.884 1.00 0.00 ATOM 790 N CYS 103 -20.368 17.005 30.916 1.00 0.00 ATOM 791 CA CYS 103 -21.458 16.080 30.736 1.00 0.00 ATOM 792 CB CYS 103 -21.947 15.546 32.081 1.00 0.00 ATOM 793 SG CYS 103 -20.872 14.329 32.867 1.00 0.00 ATOM 794 O CYS 103 -23.374 16.137 29.313 1.00 0.00 ATOM 795 C CYS 103 -22.603 16.785 30.014 1.00 0.00 ATOM 796 N GLU 104 -22.716 18.100 30.183 1.00 0.00 ATOM 797 CA GLU 104 -23.835 18.826 29.583 1.00 0.00 ATOM 798 CB GLU 104 -23.944 20.283 30.103 1.00 0.00 ATOM 799 CG GLU 104 -23.057 21.359 29.435 1.00 0.00 ATOM 800 CD GLU 104 -21.650 21.458 30.016 1.00 0.00 ATOM 801 OE1 GLU 104 -21.387 20.776 31.037 1.00 0.00 ATOM 802 OE2 GLU 104 -20.819 22.231 29.447 1.00 0.00 ATOM 803 O GLU 104 -24.844 18.900 27.402 1.00 0.00 ATOM 804 C GLU 104 -23.817 18.734 28.048 1.00 0.00 ATOM 805 N ILE 105 -22.663 18.431 27.466 1.00 0.00 ATOM 806 CA ILE 105 -22.560 18.280 26.015 1.00 0.00 ATOM 807 CB ILE 105 -21.089 18.242 25.548 1.00 0.00 ATOM 808 CG1 ILE 105 -20.374 19.553 25.941 1.00 0.00 ATOM 809 CG2 ILE 105 -21.001 17.937 24.022 1.00 0.00 ATOM 810 CD1 ILE 105 -21.233 20.854 25.765 1.00 0.00 ATOM 811 O ILE 105 -23.942 17.018 24.564 1.00 0.00 ATOM 812 C ILE 105 -23.257 17.018 25.565 1.00 0.00 ATOM 813 N TYR 106 -23.080 15.930 26.298 1.00 0.00 ATOM 814 CA TYR 106 -23.671 14.650 25.911 1.00 0.00 ATOM 815 CB TYR 106 -22.802 13.536 26.424 1.00 0.00 ATOM 816 CG TYR 106 -21.376 13.674 25.972 1.00 0.00 ATOM 817 CD1 TYR 106 -20.996 13.267 24.703 1.00 0.00 ATOM 818 CD2 TYR 106 -20.410 14.249 26.808 1.00 0.00 ATOM 819 CE1 TYR 106 -19.691 13.399 24.279 1.00 0.00 ATOM 820 CE2 TYR 106 -19.107 14.379 26.397 1.00 0.00 ATOM 821 CZ TYR 106 -18.751 13.947 25.129 1.00 0.00 ATOM 822 OH TYR 106 -17.447 14.082 24.691 1.00 0.00 ATOM 823 O TYR 106 -25.940 13.851 25.797 1.00 0.00 ATOM 824 C TYR 106 -25.096 14.471 26.434 1.00 0.00 ATOM 825 N TYR 107 -25.343 15.023 27.606 1.00 0.00 ATOM 826 CA TYR 107 -26.584 14.826 28.319 1.00 0.00 ATOM 827 CB TYR 107 -26.273 14.116 29.625 1.00 0.00 ATOM 828 CG TYR 107 -25.442 12.875 29.406 1.00 0.00 ATOM 829 CD1 TYR 107 -25.836 11.905 28.509 1.00 0.00 ATOM 830 CD2 TYR 107 -24.243 12.699 30.087 1.00 0.00 ATOM 831 CE1 TYR 107 -25.056 10.767 28.311 1.00 0.00 ATOM 832 CE2 TYR 107 -23.480 11.591 29.911 1.00 0.00 ATOM 833 CZ TYR 107 -23.875 10.624 29.027 1.00 0.00 ATOM 834 OH TYR 107 -23.047 9.538 28.859 1.00 0.00 ATOM 835 O TYR 107 -27.196 16.602 29.747 1.00 0.00 ATOM 836 C TYR 107 -27.247 16.146 28.605 1.00 0.00 ATOM 837 N PRO 108 -27.905 16.752 27.584 1.00 0.00 ATOM 838 CA PRO 108 -28.466 18.117 27.704 1.00 0.00 ATOM 839 CB PRO 108 -29.011 18.393 26.308 1.00 0.00 ATOM 840 CG PRO 108 -29.210 17.062 25.693 1.00 0.00 ATOM 841 CD PRO 108 -28.140 16.188 26.247 1.00 0.00 ATOM 842 O PRO 108 -29.765 19.451 29.241 1.00 0.00 ATOM 843 C PRO 108 -29.563 18.328 28.769 1.00 0.00 ATOM 844 N LEU 109 -30.238 17.273 29.193 1.00 0.00 ATOM 845 CA LEU 109 -31.185 17.426 30.284 1.00 0.00 ATOM 846 CB LEU 109 -32.363 16.474 30.096 1.00 0.00 ATOM 847 CG LEU 109 -33.279 16.922 28.940 1.00 0.00 ATOM 848 CD1 LEU 109 -34.416 15.945 28.779 1.00 0.00 ATOM 849 CD2 LEU 109 -33.825 18.327 29.163 1.00 0.00 ATOM 850 O LEU 109 -31.237 17.407 32.683 1.00 0.00 ATOM 851 C LEU 109 -30.543 17.280 31.674 1.00 0.00 ATOM 852 N GLY 110 -29.230 17.046 31.749 1.00 0.00 ATOM 853 CA GLY 110 -28.539 17.121 33.037 1.00 0.00 ATOM 854 O GLY 110 -28.572 14.730 33.145 1.00 0.00 ATOM 855 C GLY 110 -28.505 15.792 33.761 1.00 0.00 ATOM 856 N ILE 111 -28.429 15.843 35.079 1.00 0.00 ATOM 857 CA ILE 111 -28.367 14.614 35.877 1.00 0.00 ATOM 858 CB ILE 111 -28.253 14.955 37.400 1.00 0.00 ATOM 859 CG1 ILE 111 -26.828 15.493 37.674 1.00 0.00 ATOM 860 CG2 ILE 111 -28.562 13.716 38.249 1.00 0.00 ATOM 861 CD1 ILE 111 -26.688 16.485 38.803 1.00 0.00 ATOM 862 O ILE 111 -29.341 12.431 35.588 1.00 0.00 ATOM 863 C ILE 111 -29.525 13.640 35.572 1.00 0.00 ATOM 864 N ASP 112 -30.686 14.199 35.250 1.00 0.00 ATOM 865 CA ASP 112 -31.917 13.454 34.971 1.00 0.00 ATOM 866 CB ASP 112 -33.103 14.295 35.431 1.00 0.00 ATOM 867 CG ASP 112 -33.057 14.561 36.902 1.00 0.00 ATOM 868 OD1 ASP 112 -33.144 13.584 37.646 1.00 0.00 ATOM 869 OD2 ASP 112 -32.880 15.724 37.313 1.00 0.00 ATOM 870 O ASP 112 -33.130 12.472 33.144 1.00 0.00 ATOM 871 C ASP 112 -32.112 13.085 33.512 1.00 0.00 ATOM 872 N ASP 113 -31.146 13.429 32.672 1.00 0.00 ATOM 873 CA ASP 113 -31.186 13.004 31.286 1.00 0.00 ATOM 874 CB ASP 113 -29.935 13.469 30.533 1.00 0.00 ATOM 875 CG ASP 113 -30.079 13.362 29.043 1.00 0.00 ATOM 876 OD1 ASP 113 -30.343 12.259 28.522 1.00 0.00 ATOM 877 OD2 ASP 113 -29.944 14.396 28.371 1.00 0.00 ATOM 878 O ASP 113 -30.530 10.799 31.937 1.00 0.00 ATOM 879 C ASP 113 -31.299 11.475 31.281 1.00 0.00 ATOM 880 N PRO 114 -32.310 10.926 30.602 1.00 0.00 ATOM 881 CA PRO 114 -32.481 9.472 30.625 1.00 0.00 ATOM 882 CB PRO 114 -33.850 9.274 29.965 1.00 0.00 ATOM 883 CG PRO 114 -34.066 10.452 29.176 1.00 0.00 ATOM 884 CD PRO 114 -33.384 11.582 29.846 1.00 0.00 ATOM 885 O PRO 114 -31.227 7.477 30.130 1.00 0.00 ATOM 886 C PRO 114 -31.373 8.691 29.914 1.00 0.00 ATOM 887 N ASP 115 -30.569 9.380 29.113 1.00 0.00 ATOM 888 CA ASP 115 -29.458 8.719 28.448 1.00 0.00 ATOM 889 CB ASP 115 -29.182 9.395 27.111 1.00 0.00 ATOM 890 CG ASP 115 -30.350 9.272 26.165 1.00 0.00 ATOM 891 OD1 ASP 115 -30.881 8.144 26.031 1.00 0.00 ATOM 892 OD2 ASP 115 -30.737 10.296 25.567 1.00 0.00 ATOM 893 O ASP 115 -27.262 7.988 28.858 1.00 0.00 ATOM 894 C ASP 115 -28.184 8.675 29.261 1.00 0.00 ATOM 895 N TYR 116 -28.142 9.400 30.376 1.00 0.00 ATOM 896 CA TYR 116 -26.969 9.453 31.263 1.00 0.00 ATOM 897 CB TYR 116 -27.059 10.680 32.141 1.00 0.00 ATOM 898 CG TYR 116 -26.006 10.842 33.211 1.00 0.00 ATOM 899 CD1 TYR 116 -24.703 10.392 33.049 1.00 0.00 ATOM 900 CD2 TYR 116 -26.320 11.487 34.387 1.00 0.00 ATOM 901 CE1 TYR 116 -23.756 10.581 34.060 1.00 0.00 ATOM 902 CE2 TYR 116 -25.396 11.664 35.380 1.00 0.00 ATOM 903 CZ TYR 116 -24.111 11.200 35.221 1.00 0.00 ATOM 904 OH TYR 116 -23.184 11.412 36.231 1.00 0.00 ATOM 905 O TYR 116 -27.742 7.994 32.984 1.00 0.00 ATOM 906 C TYR 116 -26.878 8.215 32.135 1.00 0.00 ATOM 907 N THR 117 -25.849 7.400 31.901 1.00 0.00 ATOM 908 CA THR 117 -25.548 6.221 32.730 1.00 0.00 ATOM 909 CB THR 117 -25.684 4.930 31.937 1.00 0.00 ATOM 910 CG2 THR 117 -25.309 3.737 32.772 1.00 0.00 ATOM 911 OG1 THR 117 -27.045 4.777 31.547 1.00 0.00 ATOM 912 O THR 117 -23.215 6.732 32.558 1.00 0.00 ATOM 913 C THR 117 -24.131 6.343 33.279 1.00 0.00 ATOM 914 N ALA 118 -23.963 6.085 34.576 1.00 0.00 ATOM 915 CA ALA 118 -22.659 6.159 35.230 1.00 0.00 ATOM 916 CB ALA 118 -22.661 7.132 36.444 1.00 0.00 ATOM 917 O ALA 118 -23.172 3.935 35.943 1.00 0.00 ATOM 918 C ALA 118 -22.293 4.757 35.675 1.00 0.00 ATOM 919 N LEU 119 -21.001 4.472 35.698 1.00 0.00 ATOM 920 CA LEU 119 -20.533 3.120 36.028 1.00 0.00 ATOM 921 CB LEU 119 -20.257 2.290 34.780 1.00 0.00 ATOM 922 CG LEU 119 -21.317 2.201 33.674 1.00 0.00 ATOM 923 CD1 LEU 119 -21.174 3.412 32.733 1.00 0.00 ATOM 924 CD2 LEU 119 -21.213 0.939 32.871 1.00 0.00 ATOM 925 O LEU 119 -18.544 4.253 36.667 1.00 0.00 ATOM 926 C LEU 119 -19.263 3.251 36.808 1.00 0.00 ATOM 927 N CYS 120 -18.983 2.243 37.624 1.00 0.00 ATOM 928 CA CYS 120 -17.804 2.251 38.480 1.00 0.00 ATOM 929 CB CYS 120 -18.191 2.238 39.973 1.00 0.00 ATOM 930 SG CYS 120 -16.760 2.371 41.054 1.00 0.00 ATOM 931 O CYS 120 -17.516 -0.084 38.315 1.00 0.00 ATOM 932 C CYS 120 -17.018 1.018 38.144 1.00 0.00 ATOM 933 N PHE 121 -15.821 1.224 37.607 1.00 0.00 ATOM 934 CA PHE 121 -14.895 0.148 37.334 1.00 0.00 ATOM 935 CB PHE 121 -14.220 0.427 36.002 1.00 0.00 ATOM 936 CG PHE 121 -12.975 -0.401 35.735 1.00 0.00 ATOM 937 CD1 PHE 121 -13.066 -1.756 35.416 1.00 0.00 ATOM 938 CD2 PHE 121 -11.727 0.173 35.793 1.00 0.00 ATOM 939 CE1 PHE 121 -11.941 -2.488 35.120 1.00 0.00 ATOM 940 CE2 PHE 121 -10.565 -0.604 35.501 1.00 0.00 ATOM 941 CZ PHE 121 -10.705 -1.938 35.188 1.00 0.00 ATOM 942 O PHE 121 -13.259 0.972 38.847 1.00 0.00 ATOM 943 C PHE 121 -13.868 0.002 38.444 1.00 0.00 ATOM 944 N THR 122 -13.656 -1.235 38.901 1.00 0.00 ATOM 945 CA THR 122 -12.627 -1.550 39.876 1.00 0.00 ATOM 946 CB THR 122 -13.240 -2.283 41.097 1.00 0.00 ATOM 947 CG2 THR 122 -12.184 -2.547 42.170 1.00 0.00 ATOM 948 OG1 THR 122 -14.291 -1.469 41.641 1.00 0.00 ATOM 949 O THR 122 -11.852 -3.546 38.788 1.00 0.00 ATOM 950 C THR 122 -11.567 -2.423 39.220 1.00 0.00 ATOM 951 N ALA 123 -10.340 -1.902 39.162 1.00 0.00 ATOM 952 CA ALA 123 -9.218 -2.576 38.493 1.00 0.00 ATOM 953 CB ALA 123 -8.167 -1.561 38.062 1.00 0.00 ATOM 954 O ALA 123 -8.500 -3.250 40.642 1.00 0.00 ATOM 955 C ALA 123 -8.604 -3.549 39.455 1.00 0.00 ATOM 956 N GLU 124 -8.194 -4.709 38.944 1.00 0.00 ATOM 957 CA GLU 124 -7.455 -5.702 39.719 1.00 0.00 ATOM 958 CB GLU 124 -8.137 -7.048 39.607 1.00 0.00 ATOM 959 CG GLU 124 -9.623 -7.013 39.853 1.00 0.00 ATOM 960 CD GLU 124 -10.254 -8.384 39.634 1.00 0.00 ATOM 961 OE1 GLU 124 -9.566 -9.404 39.938 1.00 0.00 ATOM 962 OE2 GLU 124 -11.421 -8.428 39.166 1.00 0.00 ATOM 963 O GLU 124 -5.112 -6.129 39.995 1.00 0.00 ATOM 964 C GLU 124 -6.029 -5.884 39.212 1.00 0.00 ATOM 965 N TRP 125 -5.852 -5.813 37.891 1.00 0.00 ATOM 966 CA TRP 125 -4.570 -6.027 37.235 1.00 0.00 ATOM 967 CB TRP 125 -4.553 -7.399 36.548 1.00 0.00 ATOM 968 CG TRP 125 -4.607 -8.590 37.468 1.00 0.00 ATOM 969 CD1 TRP 125 -5.714 -9.290 37.844 1.00 0.00 ATOM 970 CD2 TRP 125 -3.496 -9.234 38.093 1.00 0.00 ATOM 971 CE2 TRP 125 -4.006 -10.312 38.844 1.00 0.00 ATOM 972 CE3 TRP 125 -2.113 -9.006 38.090 1.00 0.00 ATOM 973 NE1 TRP 125 -5.365 -10.319 38.680 1.00 0.00 ATOM 974 CZ2 TRP 125 -3.187 -11.155 39.591 1.00 0.00 ATOM 975 CZ3 TRP 125 -1.293 -9.850 38.840 1.00 0.00 ATOM 976 CH2 TRP 125 -1.833 -10.906 39.576 1.00 0.00 ATOM 977 O TRP 125 -5.327 -4.559 35.530 1.00 0.00 ATOM 978 C TRP 125 -4.358 -4.973 36.159 1.00 0.00 ATOM 979 N GLY 126 -3.098 -4.638 35.909 1.00 0.00 ATOM 980 CA GLY 126 -2.720 -3.694 34.888 1.00 0.00 ATOM 981 O GLY 126 -1.038 -5.309 34.324 1.00 0.00 ATOM 982 C GLY 126 -1.707 -4.335 33.971 1.00 0.00 ATOM 983 N ASN 127 -1.605 -3.761 32.787 1.00 0.00 ATOM 984 CA ASN 127 -0.647 -4.176 31.792 1.00 0.00 ATOM 985 CB ASN 127 -1.352 -5.142 30.847 1.00 0.00 ATOM 986 CG ASN 127 -0.413 -6.066 30.114 1.00 0.00 ATOM 987 ND2 ASN 127 -0.569 -7.364 30.340 1.00 0.00 ATOM 988 OD1 ASN 127 0.381 -5.628 29.297 1.00 0.00 ATOM 989 O ASN 127 -1.007 -2.249 30.411 1.00 0.00 ATOM 990 C ASN 127 -0.193 -2.924 31.061 1.00 0.00 ATOM 991 N TYR 128 1.084 -2.570 31.193 1.00 0.00 ATOM 992 CA TYR 128 1.652 -1.435 30.458 1.00 0.00 ATOM 993 CB TYR 128 2.554 -0.582 31.354 1.00 0.00 ATOM 994 CG TYR 128 3.069 0.663 30.653 1.00 0.00 ATOM 995 CD1 TYR 128 2.192 1.636 30.214 1.00 0.00 ATOM 996 CD2 TYR 128 4.428 0.856 30.416 1.00 0.00 ATOM 997 CE1 TYR 128 2.630 2.782 29.556 1.00 0.00 ATOM 998 CE2 TYR 128 4.896 2.011 29.742 1.00 0.00 ATOM 999 CZ TYR 128 3.984 2.978 29.318 1.00 0.00 ATOM 1000 OH TYR 128 4.410 4.135 28.645 1.00 0.00 ATOM 1001 O TYR 128 3.335 -2.730 29.327 1.00 0.00 ATOM 1002 C TYR 128 2.430 -1.903 29.223 1.00 0.00 ATOM 1003 N TYR 129 2.068 -1.362 28.067 1.00 0.00 ATOM 1004 CA TYR 129 2.657 -1.706 26.777 1.00 0.00 ATOM 1005 CB TYR 129 1.596 -1.876 25.716 1.00 0.00 ATOM 1006 CG TYR 129 0.649 -3.003 25.976 1.00 0.00 ATOM 1007 CD1 TYR 129 0.943 -4.293 25.541 1.00 0.00 ATOM 1008 CD2 TYR 129 -0.560 -2.787 26.656 1.00 0.00 ATOM 1009 CE1 TYR 129 0.057 -5.350 25.772 1.00 0.00 ATOM 1010 CE2 TYR 129 -1.449 -3.831 26.891 1.00 0.00 ATOM 1011 CZ TYR 129 -1.137 -5.107 26.443 1.00 0.00 ATOM 1012 OH TYR 129 -2.014 -6.147 26.675 1.00 0.00 ATOM 1013 O TYR 129 3.095 0.572 26.213 1.00 0.00 ATOM 1014 C TYR 129 3.546 -0.582 26.323 1.00 0.00 ATOM 1015 N ARG 130 4.813 -0.909 26.096 1.00 0.00 ATOM 1016 CA ARG 130 5.747 0.004 25.488 1.00 0.00 ATOM 1017 CB ARG 130 6.212 1.077 26.479 1.00 0.00 ATOM 1018 CG ARG 130 6.814 2.246 25.724 1.00 0.00 ATOM 1019 CD ARG 130 7.100 3.448 26.560 1.00 0.00 ATOM 1020 NE ARG 130 7.969 4.317 25.769 1.00 0.00 ATOM 1021 CZ ARG 130 8.652 5.350 26.247 1.00 0.00 ATOM 1022 NH1 ARG 130 8.562 5.680 27.535 1.00 0.00 ATOM 1023 NH2 ARG 130 9.425 6.065 25.425 1.00 0.00 ATOM 1024 O ARG 130 7.288 -1.817 25.465 1.00 0.00 ATOM 1025 C ARG 130 6.928 -0.760 24.935 1.00 0.00 ATOM 1026 N HIS 131 7.486 -0.249 23.842 1.00 0.00 ATOM 1027 CA HIS 131 8.666 -0.820 23.193 1.00 0.00 ATOM 1028 CB HIS 131 9.899 -0.790 24.129 1.00 0.00 ATOM 1029 CG HIS 131 10.270 0.581 24.616 1.00 0.00 ATOM 1030 CD2 HIS 131 10.165 1.152 25.840 1.00 0.00 ATOM 1031 ND1 HIS 131 10.830 1.541 23.796 1.00 0.00 ATOM 1032 CE1 HIS 131 11.031 2.649 24.488 1.00 0.00 ATOM 1033 NE2 HIS 131 10.642 2.439 25.733 1.00 0.00 ATOM 1034 O HIS 131 9.257 -3.091 22.878 1.00 0.00 ATOM 1035 C HIS 131 8.392 -2.251 22.743 1.00 0.00 ATOM 1036 N LEU 132 7.192 -2.512 22.209 1.00 0.00 ATOM 1037 CA LEU 132 6.741 -3.874 21.816 1.00 0.00 ATOM 1038 CB LEU 132 7.551 -4.454 20.640 1.00 0.00 ATOM 1039 CG LEU 132 7.383 -3.888 19.231 1.00 0.00 ATOM 1040 CD1 LEU 132 8.135 -2.548 19.096 1.00 0.00 ATOM 1041 CD2 LEU 132 7.867 -4.951 18.190 1.00 0.00 ATOM 1042 O LEU 132 6.884 -6.092 22.684 1.00 0.00 ATOM 1043 C LEU 132 6.797 -4.884 22.943 1.00 0.00 ATOM 1044 N LYS 133 6.756 -4.400 24.184 1.00 0.00 ATOM 1045 CA LYS 133 6.781 -5.273 25.363 1.00 0.00 ATOM 1046 CB LYS 133 8.110 -5.176 26.125 1.00 0.00 ATOM 1047 CG LYS 133 9.279 -4.740 25.310 1.00 0.00 ATOM 1048 CD LYS 133 10.552 -4.933 26.088 1.00 0.00 ATOM 1049 CE LYS 133 11.745 -4.981 25.189 1.00 0.00 ATOM 1050 NZ LYS 133 12.906 -5.439 25.943 1.00 0.00 ATOM 1051 O LYS 133 5.121 -3.793 26.149 1.00 0.00 ATOM 1052 C LYS 133 5.694 -4.850 26.300 1.00 0.00 ATOM 1053 N ASN 134 5.413 -5.679 27.284 1.00 0.00 ATOM 1054 CA ASN 134 4.488 -5.277 28.326 1.00 0.00 ATOM 1055 CB ASN 134 3.065 -5.726 28.041 1.00 0.00 ATOM 1056 CG ASN 134 2.953 -7.188 27.740 1.00 0.00 ATOM 1057 ND2 ASN 134 2.177 -7.523 26.719 1.00 0.00 ATOM 1058 OD1 ASN 134 3.531 -8.006 28.418 1.00 0.00 ATOM 1059 O ASN 134 5.602 -6.737 29.803 1.00 0.00 ATOM 1060 C ASN 134 4.925 -5.722 29.685 1.00 0.00 ATOM 1061 N ILE 135 4.577 -4.905 30.678 1.00 0.00 ATOM 1062 CA ILE 135 4.788 -5.223 32.071 1.00 0.00 ATOM 1063 CB ILE 135 5.522 -4.086 32.808 1.00 0.00 ATOM 1064 CG1 ILE 135 6.888 -3.829 32.182 1.00 0.00 ATOM 1065 CG2 ILE 135 5.672 -4.445 34.316 1.00 0.00 ATOM 1066 CD1 ILE 135 7.570 -2.552 32.665 1.00 0.00 ATOM 1067 O ILE 135 2.594 -4.494 32.578 1.00 0.00 ATOM 1068 C ILE 135 3.430 -5.383 32.688 1.00 0.00 ATOM 1069 N THR 136 3.211 -6.523 33.328 1.00 0.00 ATOM 1070 CA THR 136 1.982 -6.809 34.023 1.00 0.00 ATOM 1071 CB THR 136 1.603 -8.255 33.824 1.00 0.00 ATOM 1072 CG2 THR 136 0.310 -8.561 34.565 1.00 0.00 ATOM 1073 OG1 THR 136 1.422 -8.484 32.424 1.00 0.00 ATOM 1074 O THR 136 3.175 -6.938 36.070 1.00 0.00 ATOM 1075 C THR 136 2.150 -6.582 35.512 1.00 0.00 ATOM 1076 N PHE 137 1.154 -5.973 36.140 1.00 0.00 ATOM 1077 CA PHE 137 1.210 -5.698 37.574 1.00 0.00 ATOM 1078 CB PHE 137 1.784 -4.303 37.855 1.00 0.00 ATOM 1079 CG PHE 137 1.108 -3.205 37.131 1.00 0.00 ATOM 1080 CD1 PHE 137 1.431 -2.921 35.802 1.00 0.00 ATOM 1081 CD2 PHE 137 0.161 -2.420 37.765 1.00 0.00 ATOM 1082 CE1 PHE 137 0.803 -1.882 35.122 1.00 0.00 ATOM 1083 CE2 PHE 137 -0.469 -1.380 37.097 1.00 0.00 ATOM 1084 CZ PHE 137 -0.151 -1.105 35.779 1.00 0.00 ATOM 1085 O PHE 137 -1.182 -5.702 37.555 1.00 0.00 ATOM 1086 C PHE 137 -0.156 -5.857 38.219 1.00 0.00 ATOM 1087 N LYS 138 -0.153 -6.170 39.514 1.00 0.00 ATOM 1088 CA LYS 138 -1.372 -6.282 40.306 1.00 0.00 ATOM 1089 CB LYS 138 -1.208 -7.381 41.349 1.00 0.00 ATOM 1090 CG LYS 138 -2.486 -7.819 42.040 1.00 0.00 ATOM 1091 CD LYS 138 -2.277 -9.153 42.779 1.00 0.00 ATOM 1092 CE LYS 138 -3.615 -9.814 43.181 1.00 0.00 ATOM 1093 NZ LYS 138 -3.451 -11.189 43.809 1.00 0.00 ATOM 1094 O LYS 138 -0.680 -4.379 41.540 1.00 0.00 ATOM 1095 C LYS 138 -1.594 -4.930 40.961 1.00 0.00 ATOM 1096 N ILE 139 -2.799 -4.385 40.856 1.00 0.00 ATOM 1097 CA ILE 139 -3.038 -3.002 41.276 1.00 0.00 ATOM 1098 CB ILE 139 -4.448 -2.512 40.844 1.00 0.00 ATOM 1099 CG1 ILE 139 -4.586 -2.544 39.317 1.00 0.00 ATOM 1100 CG2 ILE 139 -4.718 -1.107 41.305 1.00 0.00 ATOM 1101 CD1 ILE 139 -3.679 -1.612 38.578 1.00 0.00 ATOM 1102 O ILE 139 -2.130 -1.872 43.233 1.00 0.00 ATOM 1103 C ILE 139 -2.777 -2.839 42.798 1.00 0.00 ATOM 1104 N ASP 140 -3.211 -3.815 43.584 1.00 0.00 ATOM 1105 CA ASP 140 -3.044 -3.771 45.046 1.00 0.00 ATOM 1106 CB ASP 140 -3.962 -4.808 45.705 1.00 0.00 ATOM 1107 CG ASP 140 -5.451 -4.456 45.555 1.00 0.00 ATOM 1108 OD1 ASP 140 -5.765 -3.330 45.102 1.00 0.00 ATOM 1109 OD2 ASP 140 -6.311 -5.304 45.893 1.00 0.00 ATOM 1110 O ASP 140 -1.321 -3.695 46.720 1.00 0.00 ATOM 1111 C ASP 140 -1.597 -3.940 45.552 1.00 0.00 ATOM 1112 N GLU 141 -0.679 -4.354 44.690 1.00 0.00 ATOM 1113 CA GLU 141 0.739 -4.391 45.048 1.00 0.00 ATOM 1114 CB GLU 141 1.453 -5.473 44.249 1.00 0.00 ATOM 1115 CG GLU 141 0.918 -6.863 44.556 1.00 0.00 ATOM 1116 CD GLU 141 1.678 -7.965 43.850 1.00 0.00 ATOM 1117 OE1 GLU 141 2.570 -7.643 43.028 1.00 0.00 ATOM 1118 OE2 GLU 141 1.378 -9.154 44.121 1.00 0.00 ATOM 1119 O GLU 141 2.445 -2.745 45.480 1.00 0.00 ATOM 1120 C GLU 141 1.432 -3.037 44.836 1.00 0.00 ATOM 1121 N ILE 142 0.876 -2.213 43.951 1.00 0.00 ATOM 1122 CA ILE 142 1.482 -0.932 43.568 1.00 0.00 ATOM 1123 CB ILE 142 1.987 -0.973 42.090 1.00 0.00 ATOM 1124 CG1 ILE 142 0.828 -1.091 41.075 1.00 0.00 ATOM 1125 CG2 ILE 142 2.981 -2.139 41.901 1.00 0.00 ATOM 1126 CD1 ILE 142 0.047 0.213 40.779 1.00 0.00 ATOM 1127 O ILE 142 -0.047 0.383 44.878 1.00 0.00 ATOM 1128 C ILE 142 0.499 0.221 43.782 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 T0380.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0380)K76.C and (T0380)A78.C only 0.000 apart, marking (T0380)A78.C as missing WARNING: atoms too close: (T0380)F77.N and (T0380)G79.N only 0.000 apart, marking (T0380)F77.N as missing WARNING: atoms too close: (T0380)F77.CA and (T0380)G79.CA only 0.000 apart, marking (T0380)F77.CA as missing # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.879 # GDT_score = -69.681 # GDT_score(maxd=8.000,maxw=2.900)= -71.682 # GDT_score(maxd=8.000,maxw=3.200)= -68.940 # GDT_score(maxd=8.000,maxw=3.500)= -66.219 # GDT_score(maxd=10.000,maxw=3.800)= -68.242 # GDT_score(maxd=10.000,maxw=4.000)= -66.439 # GDT_score(maxd=10.000,maxw=4.200)= -64.541 # GDT_score(maxd=12.000,maxw=4.300)= -67.428 # GDT_score(maxd=12.000,maxw=4.500)= -65.583 # GDT_score(maxd=12.000,maxw=4.700)= -63.750 # GDT_score(maxd=14.000,maxw=5.200)= -62.301 # GDT_score(maxd=14.000,maxw=5.500)= -59.739 # command:# ReadConformPDB reading from PDB file T0380.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0380)F47.C and (T0380)W48.C only 0.000 apart, marking (T0380)W48.C as missing WARNING: atoms too close: (T0380)W48.N and (T0380)L49.N only 0.000 apart, marking (T0380)W48.N as missing WARNING: atoms too close: (T0380)W48.CA and (T0380)L49.CA only 0.000 apart, marking (T0380)W48.CA as missing # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.972 # GDT_score = -61.348 # GDT_score(maxd=8.000,maxw=2.900)= -62.219 # GDT_score(maxd=8.000,maxw=3.200)= -59.113 # GDT_score(maxd=8.000,maxw=3.500)= -56.046 # GDT_score(maxd=10.000,maxw=3.800)= -59.392 # GDT_score(maxd=10.000,maxw=4.000)= -57.441 # GDT_score(maxd=10.000,maxw=4.200)= -55.542 # GDT_score(maxd=12.000,maxw=4.300)= -59.486 # GDT_score(maxd=12.000,maxw=4.500)= -57.605 # GDT_score(maxd=12.000,maxw=4.700)= -55.784 # GDT_score(maxd=14.000,maxw=5.200)= -55.220 # GDT_score(maxd=14.000,maxw=5.500)= -52.815 # command:# ReadConformPDB reading from PDB file T0380.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0380)D42.C and (T0380)G43.C only 0.000 apart, marking (T0380)G43.C as missing WARNING: atoms too close: (T0380)G43.N and (T0380)L44.N only 0.000 apart, marking (T0380)G43.N as missing WARNING: atoms too close: (T0380)G43.CA and (T0380)L44.CA only 0.000 apart, marking (T0380)G43.CA as missing WARNING: atoms too close: (T0380)K45.C and (T0380)K46.C only 0.000 apart, marking (T0380)K46.C as missing WARNING: atoms too close: (T0380)K46.N and (T0380)F47.N only 0.000 apart, marking (T0380)K46.N as missing WARNING: atoms too close: (T0380)K46.CA and (T0380)F47.CA only 0.000 apart, marking (T0380)K46.CA as missing # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0380.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0380)K45.C and (T0380)K46.C only 0.000 apart, marking (T0380)K46.C as missing WARNING: atoms too close: (T0380)K46.N and (T0380)F47.N only 0.000 apart, marking (T0380)K46.N as missing WARNING: atoms too close: (T0380)K46.CA and (T0380)F47.CA only 0.000 apart, marking (T0380)K46.CA as missing # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0380.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0380)K45.C and (T0380)K46.C only 0.000 apart, marking (T0380)K46.C as missing WARNING: atoms too close: (T0380)K46.N and (T0380)F47.N only 0.000 apart, marking (T0380)K46.N as missing WARNING: atoms too close: (T0380)K46.CA and (T0380)F47.CA only 0.000 apart, marking (T0380)K46.CA as missing WARNING: atoms too close: (T0380)H90.C and (T0380)D91.C only 0.000 apart, marking (T0380)D91.C as missing WARNING: atoms too close: (T0380)D91.N and (T0380)R92.N only 0.000 apart, marking (T0380)D91.N as missing WARNING: atoms too close: (T0380)D91.CA and (T0380)R92.CA only 0.000 apart, marking (T0380)D91.CA as missing # WARNING: incomplete conformation T0380 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 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 42 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file T0380.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try1-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try10-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0380.try10-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0380.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try2-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try3-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try4-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 42 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try5-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 42 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 50 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try6-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 50 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try7-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try8-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try9-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0380.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera-4-6.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera-4-8.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file tr380.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file tr380.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file tr380.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file tr380.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1566289454.pdb -s /var/tmp/to_scwrl_1566289454.seq -o /var/tmp/from_scwrl_1566289454.pdb > /var/tmp/scwrl_1566289454.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1566289454.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS2.pdb.gz looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_81297981.pdb -s /var/tmp/to_scwrl_81297981.seq -o /var/tmp/from_scwrl_81297981.pdb > /var/tmp/scwrl_81297981.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_81297981.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS3.pdb.gz looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1547514866.pdb -s /var/tmp/to_scwrl_1547514866.seq -o /var/tmp/from_scwrl_1547514866.pdb > /var/tmp/scwrl_1547514866.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1547514866.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS4.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_182938741.pdb -s /var/tmp/to_scwrl_182938741.seq -o /var/tmp/from_scwrl_182938741.pdb > /var/tmp/scwrl_182938741.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_182938741.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS5.pdb.gz looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_692429870.pdb -s /var/tmp/to_scwrl_692429870.seq -o /var/tmp/from_scwrl_692429870.pdb > /var/tmp/scwrl_692429870.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_692429870.pdb # conformation set from SCWRL output # 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 T0380 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_58591469.pdb -s /var/tmp/to_scwrl_58591469.seq -o /var/tmp/from_scwrl_58591469.pdb > /var/tmp/scwrl_58591469.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_58591469.pdb # conformation set from SCWRL output # 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 T0380 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_2124913038.pdb -s /var/tmp/to_scwrl_2124913038.seq -o /var/tmp/from_scwrl_2124913038.pdb > /var/tmp/scwrl_2124913038.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2124913038.pdb # conformation set from SCWRL output # 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 T0380 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_119402313.pdb -s /var/tmp/to_scwrl_119402313.seq -o /var/tmp/from_scwrl_119402313.pdb > /var/tmp/scwrl_119402313.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_119402313.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1942913744.pdb -s /var/tmp/to_scwrl_1942913744.seq -o /var/tmp/from_scwrl_1942913744.pdb > /var/tmp/scwrl_1942913744.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1942913744.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_204704337.pdb -s /var/tmp/to_scwrl_204704337.seq -o /var/tmp/from_scwrl_204704337.pdb > /var/tmp/scwrl_204704337.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_204704337.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS5-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1757714501.pdb -s /var/tmp/to_scwrl_1757714501.seq -o /var/tmp/from_scwrl_1757714501.pdb > /var/tmp/scwrl_1757714501.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1757714501.pdb # conformation set from SCWRL output # 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 T0380 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_771932583.pdb -s /var/tmp/to_scwrl_771932583.seq -o /var/tmp/from_scwrl_771932583.pdb > /var/tmp/scwrl_771932583.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_771932583.pdb # conformation set from SCWRL output # 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 T0380 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1053531030.pdb -s /var/tmp/to_scwrl_1053531030.seq -o /var/tmp/from_scwrl_1053531030.pdb > /var/tmp/scwrl_1053531030.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1053531030.pdb # conformation set from SCWRL output # 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 T0380 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_855018304.pdb -s /var/tmp/to_scwrl_855018304.seq -o /var/tmp/from_scwrl_855018304.pdb > /var/tmp/scwrl_855018304.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_855018304.pdb # conformation set from SCWRL output # 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 T0380 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_453157005.pdb -s /var/tmp/to_scwrl_453157005.seq -o /var/tmp/from_scwrl_453157005.pdb > /var/tmp/scwrl_453157005.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_453157005.pdb # conformation set from SCWRL output # 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 106 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1983148274.pdb -s /var/tmp/to_scwrl_1983148274.seq -o /var/tmp/from_scwrl_1983148274.pdb > /var/tmp/scwrl_1983148274.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1983148274.pdb # conformation set from SCWRL output # 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 110 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1522112659.pdb -s /var/tmp/to_scwrl_1522112659.seq -o /var/tmp/from_scwrl_1522112659.pdb > /var/tmp/scwrl_1522112659.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1522112659.pdb # conformation set from SCWRL output # 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 108 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1844362366.pdb -s /var/tmp/to_scwrl_1844362366.seq -o /var/tmp/from_scwrl_1844362366.pdb > /var/tmp/scwrl_1844362366.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1844362366.pdb # conformation set from SCWRL output # 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 130 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_152529763.pdb -s /var/tmp/to_scwrl_152529763.seq -o /var/tmp/from_scwrl_152529763.pdb > /var/tmp/scwrl_152529763.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_152529763.pdb # conformation set from SCWRL output # 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 128 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1556379580.pdb -s /var/tmp/to_scwrl_1556379580.seq -o /var/tmp/from_scwrl_1556379580.pdb > /var/tmp/scwrl_1556379580.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1556379580.pdb # conformation set from SCWRL output # 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 141 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1171905785.pdb -s /var/tmp/to_scwrl_1171905785.seq -o /var/tmp/from_scwrl_1171905785.pdb > /var/tmp/scwrl_1171905785.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1171905785.pdb # conformation set from SCWRL output # 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 134 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_683330287.pdb -s /var/tmp/to_scwrl_683330287.seq -o /var/tmp/from_scwrl_683330287.pdb > /var/tmp/scwrl_683330287.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_683330287.pdb # conformation set from SCWRL output # 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 128 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_395920406.pdb -s /var/tmp/to_scwrl_395920406.seq -o /var/tmp/from_scwrl_395920406.pdb > /var/tmp/scwrl_395920406.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_395920406.pdb # conformation set from SCWRL output # 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 130 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1118939702.pdb -s /var/tmp/to_scwrl_1118939702.seq -o /var/tmp/from_scwrl_1118939702.pdb > /var/tmp/scwrl_1118939702.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1118939702.pdb # conformation set from SCWRL output # 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 138 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1121983249.pdb -s /var/tmp/to_scwrl_1121983249.seq -o /var/tmp/from_scwrl_1121983249.pdb > /var/tmp/scwrl_1121983249.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1121983249.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/BayesHH_TS1.pdb.gz looking for model 1 # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_2065481332.pdb -s /var/tmp/to_scwrl_2065481332.seq -o /var/tmp/from_scwrl_2065481332.pdb > /var/tmp/scwrl_2065481332.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2065481332.pdb # conformation set from SCWRL output # naming current conformation BayesHH_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS1.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_981774153.pdb -s /var/tmp/to_scwrl_981774153.seq -o /var/tmp/from_scwrl_981774153.pdb > /var/tmp/scwrl_981774153.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_981774153.pdb # conformation set from SCWRL output # 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 131 ; scwrl3 -i /var/tmp/to_scwrl_18885124.pdb -s /var/tmp/to_scwrl_18885124.seq -o /var/tmp/from_scwrl_18885124.pdb > /var/tmp/scwrl_18885124.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_18885124.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS3.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1436043726.pdb -s /var/tmp/to_scwrl_1436043726.seq -o /var/tmp/from_scwrl_1436043726.pdb > /var/tmp/scwrl_1436043726.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1436043726.pdb # conformation set from SCWRL output # 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 131 ; scwrl3 -i /var/tmp/to_scwrl_230437697.pdb -s /var/tmp/to_scwrl_230437697.seq -o /var/tmp/from_scwrl_230437697.pdb > /var/tmp/scwrl_230437697.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_230437697.pdb # conformation set from SCWRL output # 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 83 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1083509290.pdb -s /var/tmp/to_scwrl_1083509290.seq -o /var/tmp/from_scwrl_1083509290.pdb > /var/tmp/scwrl_1083509290.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1083509290.pdb # conformation set from SCWRL output # 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 126 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_854849534.pdb -s /var/tmp/to_scwrl_854849534.seq -o /var/tmp/from_scwrl_854849534.pdb > /var/tmp/scwrl_854849534.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_854849534.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_311735678.pdb -s /var/tmp/to_scwrl_311735678.seq -o /var/tmp/from_scwrl_311735678.pdb > /var/tmp/scwrl_311735678.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_311735678.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_483540510.pdb -s /var/tmp/to_scwrl_483540510.seq -o /var/tmp/from_scwrl_483540510.pdb > /var/tmp/scwrl_483540510.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_483540510.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1037788275.pdb -s /var/tmp/to_scwrl_1037788275.seq -o /var/tmp/from_scwrl_1037788275.pdb > /var/tmp/scwrl_1037788275.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1037788275.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1004165549.pdb -s /var/tmp/to_scwrl_1004165549.seq -o /var/tmp/from_scwrl_1004165549.pdb > /var/tmp/scwrl_1004165549.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1004165549.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CPHmodels_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation CPHmodels_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_542131979.pdb -s /var/tmp/to_scwrl_542131979.seq -o /var/tmp/from_scwrl_542131979.pdb > /var/tmp/scwrl_542131979.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_542131979.pdb # conformation set from SCWRL output # naming current conformation CPHmodels_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1015217667.pdb -s /var/tmp/to_scwrl_1015217667.seq -o /var/tmp/from_scwrl_1015217667.pdb > /var/tmp/scwrl_1015217667.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1015217667.pdb # conformation set from SCWRL output # 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 T0380 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1123567861.pdb -s /var/tmp/to_scwrl_1123567861.seq -o /var/tmp/from_scwrl_1123567861.pdb > /var/tmp/scwrl_1123567861.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1123567861.pdb # conformation set from SCWRL output # 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 T0380 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_337562076.pdb -s /var/tmp/to_scwrl_337562076.seq -o /var/tmp/from_scwrl_337562076.pdb > /var/tmp/scwrl_337562076.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_337562076.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS3-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS4.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1219922003.pdb -s /var/tmp/to_scwrl_1219922003.seq -o /var/tmp/from_scwrl_1219922003.pdb > /var/tmp/scwrl_1219922003.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1219922003.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS4-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS5.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_733798716.pdb -s /var/tmp/to_scwrl_733798716.seq -o /var/tmp/from_scwrl_733798716.pdb > /var/tmp/scwrl_733798716.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_733798716.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS5-scwrl # ReadConformPDB reading from PDB file servers/Distill_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1109494659.pdb -s /var/tmp/to_scwrl_1109494659.seq -o /var/tmp/from_scwrl_1109494659.pdb > /var/tmp/scwrl_1109494659.log Error: Couldn't open file /var/tmp/from_scwrl_1109494659.pdb or /var/tmp/from_scwrl_1109494659.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1109494659_b.pdb or decoys//var/tmp/from_scwrl_1109494659_b.pdb.gz for input Trying /var/tmp/from_scwrl_1109494659_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1109494659_b.pdb or /var/tmp/from_scwrl_1109494659_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1109494659_a.pdb or decoys//var/tmp/from_scwrl_1109494659_a.pdb.gz for input Trying /var/tmp/from_scwrl_1109494659_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1109494659_a.pdb or /var/tmp/from_scwrl_1109494659_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1109494659.pdb or /var/tmp/from_scwrl_1109494659_b.pdb or /var/tmp/from_scwrl_1109494659_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 T0380 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_125969386.pdb -s /var/tmp/to_scwrl_125969386.seq -o /var/tmp/from_scwrl_125969386.pdb > /var/tmp/scwrl_125969386.log Error: Couldn't open file /var/tmp/from_scwrl_125969386.pdb or /var/tmp/from_scwrl_125969386.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_125969386_b.pdb or decoys//var/tmp/from_scwrl_125969386_b.pdb.gz for input Trying /var/tmp/from_scwrl_125969386_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_125969386_b.pdb or /var/tmp/from_scwrl_125969386_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_125969386_a.pdb or decoys//var/tmp/from_scwrl_125969386_a.pdb.gz for input Trying /var/tmp/from_scwrl_125969386_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_125969386_a.pdb or /var/tmp/from_scwrl_125969386_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_125969386.pdb or /var/tmp/from_scwrl_125969386_b.pdb or /var/tmp/from_scwrl_125969386_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 T0380 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1588817019.pdb -s /var/tmp/to_scwrl_1588817019.seq -o /var/tmp/from_scwrl_1588817019.pdb > /var/tmp/scwrl_1588817019.log Error: Couldn't open file /var/tmp/from_scwrl_1588817019.pdb or /var/tmp/from_scwrl_1588817019.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1588817019_b.pdb or decoys//var/tmp/from_scwrl_1588817019_b.pdb.gz for input Trying /var/tmp/from_scwrl_1588817019_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1588817019_b.pdb or /var/tmp/from_scwrl_1588817019_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1588817019_a.pdb or decoys//var/tmp/from_scwrl_1588817019_a.pdb.gz for input Trying /var/tmp/from_scwrl_1588817019_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1588817019_a.pdb or /var/tmp/from_scwrl_1588817019_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1588817019.pdb or /var/tmp/from_scwrl_1588817019_b.pdb or /var/tmp/from_scwrl_1588817019_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 T0380 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1562651664.pdb -s /var/tmp/to_scwrl_1562651664.seq -o /var/tmp/from_scwrl_1562651664.pdb > /var/tmp/scwrl_1562651664.log Error: Couldn't open file /var/tmp/from_scwrl_1562651664.pdb or /var/tmp/from_scwrl_1562651664.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1562651664_b.pdb or decoys//var/tmp/from_scwrl_1562651664_b.pdb.gz for input Trying /var/tmp/from_scwrl_1562651664_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1562651664_b.pdb or /var/tmp/from_scwrl_1562651664_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1562651664_a.pdb or decoys//var/tmp/from_scwrl_1562651664_a.pdb.gz for input Trying /var/tmp/from_scwrl_1562651664_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1562651664_a.pdb or /var/tmp/from_scwrl_1562651664_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1562651664.pdb or /var/tmp/from_scwrl_1562651664_b.pdb or /var/tmp/from_scwrl_1562651664_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 T0380 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_2109117660.pdb -s /var/tmp/to_scwrl_2109117660.seq -o /var/tmp/from_scwrl_2109117660.pdb > /var/tmp/scwrl_2109117660.log Error: Couldn't open file /var/tmp/from_scwrl_2109117660.pdb or /var/tmp/from_scwrl_2109117660.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2109117660_b.pdb or decoys//var/tmp/from_scwrl_2109117660_b.pdb.gz for input Trying /var/tmp/from_scwrl_2109117660_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2109117660_b.pdb or /var/tmp/from_scwrl_2109117660_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2109117660_a.pdb or decoys//var/tmp/from_scwrl_2109117660_a.pdb.gz for input Trying /var/tmp/from_scwrl_2109117660_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2109117660_a.pdb or /var/tmp/from_scwrl_2109117660_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2109117660.pdb or /var/tmp/from_scwrl_2109117660_b.pdb or /var/tmp/from_scwrl_2109117660_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 143 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_963446032.pdb -s /var/tmp/to_scwrl_963446032.seq -o /var/tmp/from_scwrl_963446032.pdb > /var/tmp/scwrl_963446032.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_963446032.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1259530383.pdb -s /var/tmp/to_scwrl_1259530383.seq -o /var/tmp/from_scwrl_1259530383.pdb > /var/tmp/scwrl_1259530383.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1259530383.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_114163776.pdb -s /var/tmp/to_scwrl_114163776.seq -o /var/tmp/from_scwrl_114163776.pdb > /var/tmp/scwrl_114163776.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_114163776.pdb # conformation set from SCWRL output # 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 114 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_372341965.pdb -s /var/tmp/to_scwrl_372341965.seq -o /var/tmp/from_scwrl_372341965.pdb > /var/tmp/scwrl_372341965.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_372341965.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_283952522.pdb -s /var/tmp/to_scwrl_283952522.seq -o /var/tmp/from_scwrl_283952522.pdb > /var/tmp/scwrl_283952522.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_283952522.pdb # conformation set from SCWRL output # 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 142 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_797494064.pdb -s /var/tmp/to_scwrl_797494064.seq -o /var/tmp/from_scwrl_797494064.pdb > /var/tmp/scwrl_797494064.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_797494064.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_768262371.pdb -s /var/tmp/to_scwrl_768262371.seq -o /var/tmp/from_scwrl_768262371.pdb > /var/tmp/scwrl_768262371.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_768262371.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1402892224.pdb -s /var/tmp/to_scwrl_1402892224.seq -o /var/tmp/from_scwrl_1402892224.pdb > /var/tmp/scwrl_1402892224.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1402892224.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1919477313.pdb -s /var/tmp/to_scwrl_1919477313.seq -o /var/tmp/from_scwrl_1919477313.pdb > /var/tmp/scwrl_1919477313.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1919477313.pdb # conformation set from SCWRL output # 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 142 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_686260057.pdb -s /var/tmp/to_scwrl_686260057.seq -o /var/tmp/from_scwrl_686260057.pdb > /var/tmp/scwrl_686260057.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_686260057.pdb # conformation set from SCWRL output # 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 102 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_237182730.pdb -s /var/tmp/to_scwrl_237182730.seq -o /var/tmp/from_scwrl_237182730.pdb > /var/tmp/scwrl_237182730.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_237182730.pdb # conformation set from SCWRL output # 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 122 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1938362437.pdb -s /var/tmp/to_scwrl_1938362437.seq -o /var/tmp/from_scwrl_1938362437.pdb > /var/tmp/scwrl_1938362437.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1938362437.pdb # conformation set from SCWRL output # 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 77 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_2122303783.pdb -s /var/tmp/to_scwrl_2122303783.seq -o /var/tmp/from_scwrl_2122303783.pdb > /var/tmp/scwrl_2122303783.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2122303783.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS4.pdb.gz looking for model 1 # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_467620427.pdb -s /var/tmp/to_scwrl_467620427.seq -o /var/tmp/from_scwrl_467620427.pdb > /var/tmp/scwrl_467620427.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_467620427.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS5.pdb.gz looking for model 1 # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_874388081.pdb -s /var/tmp/to_scwrl_874388081.seq -o /var/tmp/from_scwrl_874388081.pdb > /var/tmp/scwrl_874388081.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_874388081.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL1.pdb.gz looking for model 1 Skipped atom 62, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 64, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 66, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 68, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 318, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 320, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 322, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 324, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 374, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 376, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 378, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 380, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 490, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 492, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 494, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 496, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_829669670.pdb -s /var/tmp/to_scwrl_829669670.seq -o /var/tmp/from_scwrl_829669670.pdb > /var/tmp/scwrl_829669670.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_829669670.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL2.pdb.gz looking for model 1 Skipped atom 177, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 514, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_779356106.pdb -s /var/tmp/to_scwrl_779356106.seq -o /var/tmp/from_scwrl_779356106.pdb > /var/tmp/scwrl_779356106.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_779356106.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1357928590.pdb -s /var/tmp/to_scwrl_1357928590.seq -o /var/tmp/from_scwrl_1357928590.pdb > /var/tmp/scwrl_1357928590.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1357928590.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL3-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1867457944.pdb -s /var/tmp/to_scwrl_1867457944.seq -o /var/tmp/from_scwrl_1867457944.pdb > /var/tmp/scwrl_1867457944.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1867457944.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL4-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL5.pdb.gz looking for model 1 Skipped atom 126, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 128, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 130, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 132, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1783521654.pdb -s /var/tmp/to_scwrl_1783521654.seq -o /var/tmp/from_scwrl_1783521654.pdb > /var/tmp/scwrl_1783521654.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1783521654.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL5-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL1.pdb.gz looking for model 1 Skipped atom 62, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 64, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 66, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 68, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 318, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 320, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 322, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 324, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 374, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 376, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 378, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 380, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 490, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 492, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 494, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 496, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1900060569.pdb -s /var/tmp/to_scwrl_1900060569.seq -o /var/tmp/from_scwrl_1900060569.pdb > /var/tmp/scwrl_1900060569.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1900060569.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL2.pdb.gz looking for model 1 Skipped atom 177, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 514, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_735191964.pdb -s /var/tmp/to_scwrl_735191964.seq -o /var/tmp/from_scwrl_735191964.pdb > /var/tmp/scwrl_735191964.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_735191964.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_759605869.pdb -s /var/tmp/to_scwrl_759605869.seq -o /var/tmp/from_scwrl_759605869.pdb > /var/tmp/scwrl_759605869.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_759605869.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL3-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_90138999.pdb -s /var/tmp/to_scwrl_90138999.seq -o /var/tmp/from_scwrl_90138999.pdb > /var/tmp/scwrl_90138999.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_90138999.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL4-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL5.pdb.gz looking for model 1 Skipped atom 126, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 128, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 130, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 132, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1955113967.pdb -s /var/tmp/to_scwrl_1955113967.seq -o /var/tmp/from_scwrl_1955113967.pdb > /var/tmp/scwrl_1955113967.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1955113967.pdb # conformation set from SCWRL output # 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 117 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1493404584.pdb -s /var/tmp/to_scwrl_1493404584.seq -o /var/tmp/from_scwrl_1493404584.pdb > /var/tmp/scwrl_1493404584.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1493404584.pdb # conformation set from SCWRL output # 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 124 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1199633658.pdb -s /var/tmp/to_scwrl_1199633658.seq -o /var/tmp/from_scwrl_1199633658.pdb > /var/tmp/scwrl_1199633658.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1199633658.pdb # conformation set from SCWRL output # 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 46 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_2081083353.pdb -s /var/tmp/to_scwrl_2081083353.seq -o /var/tmp/from_scwrl_2081083353.pdb > /var/tmp/scwrl_2081083353.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2081083353.pdb # conformation set from SCWRL output # 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 133 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_934737958.pdb -s /var/tmp/to_scwrl_934737958.seq -o /var/tmp/from_scwrl_934737958.pdb > /var/tmp/scwrl_934737958.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_934737958.pdb # conformation set from SCWRL output # 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 144 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_614801676.pdb -s /var/tmp/to_scwrl_614801676.seq -o /var/tmp/from_scwrl_614801676.pdb > /var/tmp/scwrl_614801676.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_614801676.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_2042717367.pdb -s /var/tmp/to_scwrl_2042717367.seq -o /var/tmp/from_scwrl_2042717367.pdb > /var/tmp/scwrl_2042717367.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2042717367.pdb # conformation set from SCWRL output # 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 107 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1898183989.pdb -s /var/tmp/to_scwrl_1898183989.seq -o /var/tmp/from_scwrl_1898183989.pdb > /var/tmp/scwrl_1898183989.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1898183989.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1874332059.pdb -s /var/tmp/to_scwrl_1874332059.seq -o /var/tmp/from_scwrl_1874332059.pdb > /var/tmp/scwrl_1874332059.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1874332059.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # Found a chain break before 35 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_9397496.pdb -s /var/tmp/to_scwrl_9397496.seq -o /var/tmp/from_scwrl_9397496.pdb > /var/tmp/scwrl_9397496.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_9397496.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_123042308.pdb -s /var/tmp/to_scwrl_123042308.seq -o /var/tmp/from_scwrl_123042308.pdb > /var/tmp/scwrl_123042308.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_123042308.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_10800934.pdb -s /var/tmp/to_scwrl_10800934.seq -o /var/tmp/from_scwrl_10800934.pdb > /var/tmp/scwrl_10800934.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_10800934.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL1-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_806891560.pdb -s /var/tmp/to_scwrl_806891560.seq -o /var/tmp/from_scwrl_806891560.pdb > /var/tmp/scwrl_806891560.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_806891560.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL2-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL3.pdb.gz looking for model 1 Skipped atom 58, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 60, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 62, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 64, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 354, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 356, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 358, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 360, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 470, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 472, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 474, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz Skipped atom 476, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL3.pdb.gz # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_891304679.pdb -s /var/tmp/to_scwrl_891304679.seq -o /var/tmp/from_scwrl_891304679.pdb > /var/tmp/scwrl_891304679.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_891304679.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL3-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL4.pdb.gz looking for model 1 Skipped atom 126, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL4.pdb.gz Skipped atom 128, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL4.pdb.gz Skipped atom 130, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL4.pdb.gz Skipped atom 132, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL4.pdb.gz # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1413693158.pdb -s /var/tmp/to_scwrl_1413693158.seq -o /var/tmp/from_scwrl_1413693158.pdb > /var/tmp/scwrl_1413693158.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1413693158.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL4-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_578885226.pdb -s /var/tmp/to_scwrl_578885226.seq -o /var/tmp/from_scwrl_578885226.pdb > /var/tmp/scwrl_578885226.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_578885226.pdb # conformation set from SCWRL output # 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 119 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1577564735.pdb -s /var/tmp/to_scwrl_1577564735.seq -o /var/tmp/from_scwrl_1577564735.pdb > /var/tmp/scwrl_1577564735.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1577564735.pdb # conformation set from SCWRL output # 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 108 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1650875888.pdb -s /var/tmp/to_scwrl_1650875888.seq -o /var/tmp/from_scwrl_1650875888.pdb > /var/tmp/scwrl_1650875888.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1650875888.pdb # conformation set from SCWRL output # 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 142 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_369764016.pdb -s /var/tmp/to_scwrl_369764016.seq -o /var/tmp/from_scwrl_369764016.pdb > /var/tmp/scwrl_369764016.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_369764016.pdb # conformation set from SCWRL output # 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 136 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1552384871.pdb -s /var/tmp/to_scwrl_1552384871.seq -o /var/tmp/from_scwrl_1552384871.pdb > /var/tmp/scwrl_1552384871.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1552384871.pdb # conformation set from SCWRL output # 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 144 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_2118496316.pdb -s /var/tmp/to_scwrl_2118496316.seq -o /var/tmp/from_scwrl_2118496316.pdb > /var/tmp/scwrl_2118496316.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2118496316.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS1.pdb.gz looking for model 1 # naming current conformation Frankenstein_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1244152096.pdb -s /var/tmp/to_scwrl_1244152096.seq -o /var/tmp/from_scwrl_1244152096.pdb > /var/tmp/scwrl_1244152096.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1244152096.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS1-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS2.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS2 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_234570894.pdb -s /var/tmp/to_scwrl_234570894.seq -o /var/tmp/from_scwrl_234570894.pdb > /var/tmp/scwrl_234570894.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_234570894.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS2-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS3.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS3 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_750368775.pdb -s /var/tmp/to_scwrl_750368775.seq -o /var/tmp/from_scwrl_750368775.pdb > /var/tmp/scwrl_750368775.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_750368775.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS3-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS4.pdb.gz looking for model 1 # Found a chain break before 12 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS4 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_454597040.pdb -s /var/tmp/to_scwrl_454597040.seq -o /var/tmp/from_scwrl_454597040.pdb > /var/tmp/scwrl_454597040.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_454597040.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS4-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS5.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS5 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_2102028839.pdb -s /var/tmp/to_scwrl_2102028839.seq -o /var/tmp/from_scwrl_2102028839.pdb > /var/tmp/scwrl_2102028839.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2102028839.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS5-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_386406782.pdb -s /var/tmp/to_scwrl_386406782.seq -o /var/tmp/from_scwrl_386406782.pdb > /var/tmp/scwrl_386406782.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_386406782.pdb # conformation set from SCWRL output # 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 138 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_207173963.pdb -s /var/tmp/to_scwrl_207173963.seq -o /var/tmp/from_scwrl_207173963.pdb > /var/tmp/scwrl_207173963.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_207173963.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_689737156.pdb -s /var/tmp/to_scwrl_689737156.seq -o /var/tmp/from_scwrl_689737156.pdb > /var/tmp/scwrl_689737156.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_689737156.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS3-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1146012650.pdb -s /var/tmp/to_scwrl_1146012650.seq -o /var/tmp/from_scwrl_1146012650.pdb > /var/tmp/scwrl_1146012650.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1146012650.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_297312962.pdb -s /var/tmp/to_scwrl_297312962.seq -o /var/tmp/from_scwrl_297312962.pdb > /var/tmp/scwrl_297312962.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_297312962.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS5-scwrl # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_497367477.pdb -s /var/tmp/to_scwrl_497367477.seq -o /var/tmp/from_scwrl_497367477.pdb > /var/tmp/scwrl_497367477.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_497367477.pdb # conformation set from SCWRL output # 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 89 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_491933588.pdb -s /var/tmp/to_scwrl_491933588.seq -o /var/tmp/from_scwrl_491933588.pdb > /var/tmp/scwrl_491933588.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_491933588.pdb # conformation set from SCWRL output # 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 89 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1496946620.pdb -s /var/tmp/to_scwrl_1496946620.seq -o /var/tmp/from_scwrl_1496946620.pdb > /var/tmp/scwrl_1496946620.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1496946620.pdb # conformation set from SCWRL output # 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 T0380 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_430967183.pdb -s /var/tmp/to_scwrl_430967183.seq -o /var/tmp/from_scwrl_430967183.pdb > /var/tmp/scwrl_430967183.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_430967183.pdb # conformation set from SCWRL output # 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 T0380 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1426671545.pdb -s /var/tmp/to_scwrl_1426671545.seq -o /var/tmp/from_scwrl_1426671545.pdb > /var/tmp/scwrl_1426671545.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1426671545.pdb # conformation set from SCWRL output # 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 T0380 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_2111748296.pdb -s /var/tmp/to_scwrl_2111748296.seq -o /var/tmp/from_scwrl_2111748296.pdb > /var/tmp/scwrl_2111748296.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2111748296.pdb # conformation set from SCWRL output # 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 T0380 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_326200903.pdb -s /var/tmp/to_scwrl_326200903.seq -o /var/tmp/from_scwrl_326200903.pdb > /var/tmp/scwrl_326200903.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_326200903.pdb # conformation set from SCWRL output # 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 T0380 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1177371888.pdb -s /var/tmp/to_scwrl_1177371888.seq -o /var/tmp/from_scwrl_1177371888.pdb > /var/tmp/scwrl_1177371888.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1177371888.pdb # conformation set from SCWRL output # 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 T0380 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1838596708.pdb -s /var/tmp/to_scwrl_1838596708.seq -o /var/tmp/from_scwrl_1838596708.pdb > /var/tmp/scwrl_1838596708.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1838596708.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS1-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_335598400.pdb -s /var/tmp/to_scwrl_335598400.seq -o /var/tmp/from_scwrl_335598400.pdb > /var/tmp/scwrl_335598400.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_335598400.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS2-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1300414196.pdb -s /var/tmp/to_scwrl_1300414196.seq -o /var/tmp/from_scwrl_1300414196.pdb > /var/tmp/scwrl_1300414196.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1300414196.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS3-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1849397642.pdb -s /var/tmp/to_scwrl_1849397642.seq -o /var/tmp/from_scwrl_1849397642.pdb > /var/tmp/scwrl_1849397642.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1849397642.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS4-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1142489959.pdb -s /var/tmp/to_scwrl_1142489959.seq -o /var/tmp/from_scwrl_1142489959.pdb > /var/tmp/scwrl_1142489959.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1142489959.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/MIG_FROST_AL1.pdb.gz looking for model 1 Skipped atom 142, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 144, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 146, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 148, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 291, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 308, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 317, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_44235228.pdb -s /var/tmp/to_scwrl_44235228.seq -o /var/tmp/from_scwrl_44235228.pdb > /var/tmp/scwrl_44235228.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_44235228.pdb # conformation set from SCWRL output # naming current conformation MIG_FROST_AL1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1115607153.pdb -s /var/tmp/to_scwrl_1115607153.seq -o /var/tmp/from_scwrl_1115607153.pdb > /var/tmp/scwrl_1115607153.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1115607153.pdb # conformation set from SCWRL output # 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 73 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1721375186.pdb -s /var/tmp/to_scwrl_1721375186.seq -o /var/tmp/from_scwrl_1721375186.pdb > /var/tmp/scwrl_1721375186.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1721375186.pdb # conformation set from SCWRL output # 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 144 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1621799964.pdb -s /var/tmp/to_scwrl_1621799964.seq -o /var/tmp/from_scwrl_1621799964.pdb > /var/tmp/scwrl_1621799964.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1621799964.pdb # conformation set from SCWRL output # 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 131 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_618999395.pdb -s /var/tmp/to_scwrl_618999395.seq -o /var/tmp/from_scwrl_618999395.pdb > /var/tmp/scwrl_618999395.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_618999395.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS5.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_2091139202.pdb -s /var/tmp/to_scwrl_2091139202.seq -o /var/tmp/from_scwrl_2091139202.pdb > /var/tmp/scwrl_2091139202.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2091139202.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1026701189.pdb -s /var/tmp/to_scwrl_1026701189.seq -o /var/tmp/from_scwrl_1026701189.pdb > /var/tmp/scwrl_1026701189.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1026701189.pdb # conformation set from SCWRL output # 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 73 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_590012064.pdb -s /var/tmp/to_scwrl_590012064.seq -o /var/tmp/from_scwrl_590012064.pdb > /var/tmp/scwrl_590012064.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_590012064.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS3.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1187807652.pdb -s /var/tmp/to_scwrl_1187807652.seq -o /var/tmp/from_scwrl_1187807652.pdb > /var/tmp/scwrl_1187807652.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1187807652.pdb # conformation set from SCWRL output # 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 40 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1261272083.pdb -s /var/tmp/to_scwrl_1261272083.seq -o /var/tmp/from_scwrl_1261272083.pdb > /var/tmp/scwrl_1261272083.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1261272083.pdb # conformation set from SCWRL output # 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 114 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1340380838.pdb -s /var/tmp/to_scwrl_1340380838.seq -o /var/tmp/from_scwrl_1340380838.pdb > /var/tmp/scwrl_1340380838.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1340380838.pdb # conformation set from SCWRL output # 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 144 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1642404692.pdb -s /var/tmp/to_scwrl_1642404692.seq -o /var/tmp/from_scwrl_1642404692.pdb > /var/tmp/scwrl_1642404692.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1642404692.pdb # conformation set from SCWRL output # 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 144 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1215817275.pdb -s /var/tmp/to_scwrl_1215817275.seq -o /var/tmp/from_scwrl_1215817275.pdb > /var/tmp/scwrl_1215817275.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1215817275.pdb # conformation set from SCWRL output # 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 144 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1726787620.pdb -s /var/tmp/to_scwrl_1726787620.seq -o /var/tmp/from_scwrl_1726787620.pdb > /var/tmp/scwrl_1726787620.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1726787620.pdb # conformation set from SCWRL output # 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 144 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1849578655.pdb -s /var/tmp/to_scwrl_1849578655.seq -o /var/tmp/from_scwrl_1849578655.pdb > /var/tmp/scwrl_1849578655.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1849578655.pdb # conformation set from SCWRL output # 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 144 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1905554431.pdb -s /var/tmp/to_scwrl_1905554431.seq -o /var/tmp/from_scwrl_1905554431.pdb > /var/tmp/scwrl_1905554431.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1905554431.pdb # conformation set from SCWRL output # 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 T0380 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_725316624.pdb -s /var/tmp/to_scwrl_725316624.seq -o /var/tmp/from_scwrl_725316624.pdb > /var/tmp/scwrl_725316624.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_725316624.pdb # conformation set from SCWRL output # naming current conformation NN_PUT_lab_TS1-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 131 ; scwrl3 -i /var/tmp/to_scwrl_2146891617.pdb -s /var/tmp/to_scwrl_2146891617.seq -o /var/tmp/from_scwrl_2146891617.pdb > /var/tmp/scwrl_2146891617.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2146891617.pdb # conformation set from SCWRL output # 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 131 ; scwrl3 -i /var/tmp/to_scwrl_255438261.pdb -s /var/tmp/to_scwrl_255438261.seq -o /var/tmp/from_scwrl_255438261.pdb > /var/tmp/scwrl_255438261.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_255438261.pdb # conformation set from SCWRL output # 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 131 ; scwrl3 -i /var/tmp/to_scwrl_1217250212.pdb -s /var/tmp/to_scwrl_1217250212.seq -o /var/tmp/from_scwrl_1217250212.pdb > /var/tmp/scwrl_1217250212.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1217250212.pdb # conformation set from SCWRL output # 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 131 ; scwrl3 -i /var/tmp/to_scwrl_1496354590.pdb -s /var/tmp/to_scwrl_1496354590.seq -o /var/tmp/from_scwrl_1496354590.pdb > /var/tmp/scwrl_1496354590.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1496354590.pdb # conformation set from SCWRL output # 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 131 ; scwrl3 -i /var/tmp/to_scwrl_686405445.pdb -s /var/tmp/to_scwrl_686405445.seq -o /var/tmp/from_scwrl_686405445.pdb > /var/tmp/scwrl_686405445.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_686405445.pdb # conformation set from SCWRL output # 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 86 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_496438111.pdb -s /var/tmp/to_scwrl_496438111.seq -o /var/tmp/from_scwrl_496438111.pdb > /var/tmp/scwrl_496438111.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_496438111.pdb # conformation set from SCWRL output # 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 109 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1460619239.pdb -s /var/tmp/to_scwrl_1460619239.seq -o /var/tmp/from_scwrl_1460619239.pdb > /var/tmp/scwrl_1460619239.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1460619239.pdb # conformation set from SCWRL output # 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 96 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1012606348.pdb -s /var/tmp/to_scwrl_1012606348.seq -o /var/tmp/from_scwrl_1012606348.pdb > /var/tmp/scwrl_1012606348.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1012606348.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1673809999.pdb -s /var/tmp/to_scwrl_1673809999.seq -o /var/tmp/from_scwrl_1673809999.pdb > /var/tmp/scwrl_1673809999.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1673809999.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1151732300.pdb -s /var/tmp/to_scwrl_1151732300.seq -o /var/tmp/from_scwrl_1151732300.pdb > /var/tmp/scwrl_1151732300.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1151732300.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1348204747.pdb -s /var/tmp/to_scwrl_1348204747.seq -o /var/tmp/from_scwrl_1348204747.pdb > /var/tmp/scwrl_1348204747.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1348204747.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_826740549.pdb -s /var/tmp/to_scwrl_826740549.seq -o /var/tmp/from_scwrl_826740549.pdb > /var/tmp/scwrl_826740549.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_826740549.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_853646296.pdb -s /var/tmp/to_scwrl_853646296.seq -o /var/tmp/from_scwrl_853646296.pdb > /var/tmp/scwrl_853646296.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_853646296.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_343211061.pdb -s /var/tmp/to_scwrl_343211061.seq -o /var/tmp/from_scwrl_343211061.pdb > /var/tmp/scwrl_343211061.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_343211061.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_870975778.pdb -s /var/tmp/to_scwrl_870975778.seq -o /var/tmp/from_scwrl_870975778.pdb > /var/tmp/scwrl_870975778.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_870975778.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS5-scwrl # ReadConformPDB reading from PDB file servers/Phyre-1_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1969253449.pdb -s /var/tmp/to_scwrl_1969253449.seq -o /var/tmp/from_scwrl_1969253449.pdb > /var/tmp/scwrl_1969253449.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1969253449.pdb # conformation set from SCWRL output # 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 T0380 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 131 ; scwrl3 -i /var/tmp/to_scwrl_2064586247.pdb -s /var/tmp/to_scwrl_2064586247.seq -o /var/tmp/from_scwrl_2064586247.pdb > /var/tmp/scwrl_2064586247.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2064586247.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_345292095.pdb -s /var/tmp/to_scwrl_345292095.seq -o /var/tmp/from_scwrl_345292095.pdb > /var/tmp/scwrl_345292095.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_345292095.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_440769198.pdb -s /var/tmp/to_scwrl_440769198.seq -o /var/tmp/from_scwrl_440769198.pdb > /var/tmp/scwrl_440769198.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_440769198.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_2008241802.pdb -s /var/tmp/to_scwrl_2008241802.seq -o /var/tmp/from_scwrl_2008241802.pdb > /var/tmp/scwrl_2008241802.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2008241802.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1371993283.pdb -s /var/tmp/to_scwrl_1371993283.seq -o /var/tmp/from_scwrl_1371993283.pdb > /var/tmp/scwrl_1371993283.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1371993283.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1030781262.pdb -s /var/tmp/to_scwrl_1030781262.seq -o /var/tmp/from_scwrl_1030781262.pdb > /var/tmp/scwrl_1030781262.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1030781262.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1048565808.pdb -s /var/tmp/to_scwrl_1048565808.seq -o /var/tmp/from_scwrl_1048565808.pdb > /var/tmp/scwrl_1048565808.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1048565808.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_485781720.pdb -s /var/tmp/to_scwrl_485781720.seq -o /var/tmp/from_scwrl_485781720.pdb > /var/tmp/scwrl_485781720.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_485781720.pdb # conformation set from SCWRL output # 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 73 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_223678454.pdb -s /var/tmp/to_scwrl_223678454.seq -o /var/tmp/from_scwrl_223678454.pdb > /var/tmp/scwrl_223678454.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_223678454.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_543486854.pdb -s /var/tmp/to_scwrl_543486854.seq -o /var/tmp/from_scwrl_543486854.pdb > /var/tmp/scwrl_543486854.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_543486854.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1701598995.pdb -s /var/tmp/to_scwrl_1701598995.seq -o /var/tmp/from_scwrl_1701598995.pdb > /var/tmp/scwrl_1701598995.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1701598995.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1950466074.pdb -s /var/tmp/to_scwrl_1950466074.seq -o /var/tmp/from_scwrl_1950466074.pdb > /var/tmp/scwrl_1950466074.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1950466074.pdb # conformation set from SCWRL output # 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 36 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_245581862.pdb -s /var/tmp/to_scwrl_245581862.seq -o /var/tmp/from_scwrl_245581862.pdb > /var/tmp/scwrl_245581862.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_245581862.pdb # conformation set from SCWRL output # 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 11 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1459669780.pdb -s /var/tmp/to_scwrl_1459669780.seq -o /var/tmp/from_scwrl_1459669780.pdb > /var/tmp/scwrl_1459669780.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1459669780.pdb # conformation set from SCWRL output # 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 83 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_528299052.pdb -s /var/tmp/to_scwrl_528299052.seq -o /var/tmp/from_scwrl_528299052.pdb > /var/tmp/scwrl_528299052.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_528299052.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS1.pdb.gz looking for model 1 # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_244989833.pdb -s /var/tmp/to_scwrl_244989833.seq -o /var/tmp/from_scwrl_244989833.pdb > /var/tmp/scwrl_244989833.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_244989833.pdb # conformation set from SCWRL output # 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 140 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1715108041.pdb -s /var/tmp/to_scwrl_1715108041.seq -o /var/tmp/from_scwrl_1715108041.pdb > /var/tmp/scwrl_1715108041.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1715108041.pdb # conformation set from SCWRL output # 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 135 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1745549264.pdb -s /var/tmp/to_scwrl_1745549264.seq -o /var/tmp/from_scwrl_1745549264.pdb > /var/tmp/scwrl_1745549264.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1745549264.pdb # conformation set from SCWRL output # 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 77 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1741344423.pdb -s /var/tmp/to_scwrl_1741344423.seq -o /var/tmp/from_scwrl_1741344423.pdb > /var/tmp/scwrl_1741344423.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1741344423.pdb # conformation set from SCWRL output # 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 144 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_254029839.pdb -s /var/tmp/to_scwrl_254029839.seq -o /var/tmp/from_scwrl_254029839.pdb > /var/tmp/scwrl_254029839.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_254029839.pdb # conformation set from SCWRL output # 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 89 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_94503728.pdb -s /var/tmp/to_scwrl_94503728.seq -o /var/tmp/from_scwrl_94503728.pdb > /var/tmp/scwrl_94503728.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_94503728.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS2.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1054480017.pdb -s /var/tmp/to_scwrl_1054480017.seq -o /var/tmp/from_scwrl_1054480017.pdb > /var/tmp/scwrl_1054480017.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1054480017.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS3.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1266636187.pdb -s /var/tmp/to_scwrl_1266636187.seq -o /var/tmp/from_scwrl_1266636187.pdb > /var/tmp/scwrl_1266636187.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1266636187.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS4.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1768313728.pdb -s /var/tmp/to_scwrl_1768313728.seq -o /var/tmp/from_scwrl_1768313728.pdb > /var/tmp/scwrl_1768313728.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1768313728.pdb # conformation set from SCWRL output # 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 105 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_58728670.pdb -s /var/tmp/to_scwrl_58728670.seq -o /var/tmp/from_scwrl_58728670.pdb > /var/tmp/scwrl_58728670.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_58728670.pdb # conformation set from SCWRL output # 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 73 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_467357288.pdb -s /var/tmp/to_scwrl_467357288.seq -o /var/tmp/from_scwrl_467357288.pdb > /var/tmp/scwrl_467357288.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_467357288.pdb # conformation set from SCWRL output # 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 79 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_447570630.pdb -s /var/tmp/to_scwrl_447570630.seq -o /var/tmp/from_scwrl_447570630.pdb > /var/tmp/scwrl_447570630.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_447570630.pdb # conformation set from SCWRL output # 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 75 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_912374967.pdb -s /var/tmp/to_scwrl_912374967.seq -o /var/tmp/from_scwrl_912374967.pdb > /var/tmp/scwrl_912374967.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_912374967.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS4.pdb.gz looking for model 1 # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_810568349.pdb -s /var/tmp/to_scwrl_810568349.seq -o /var/tmp/from_scwrl_810568349.pdb > /var/tmp/scwrl_810568349.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_810568349.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS5.pdb.gz looking for model 1 # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1318546407.pdb -s /var/tmp/to_scwrl_1318546407.seq -o /var/tmp/from_scwrl_1318546407.pdb > /var/tmp/scwrl_1318546407.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1318546407.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_734144769.pdb -s /var/tmp/to_scwrl_734144769.seq -o /var/tmp/from_scwrl_734144769.pdb > /var/tmp/scwrl_734144769.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_734144769.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # Found a chain break before 112 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_727670949.pdb -s /var/tmp/to_scwrl_727670949.seq -o /var/tmp/from_scwrl_727670949.pdb > /var/tmp/scwrl_727670949.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_727670949.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1663838502.pdb -s /var/tmp/to_scwrl_1663838502.seq -o /var/tmp/from_scwrl_1663838502.pdb > /var/tmp/scwrl_1663838502.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1663838502.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1174913966.pdb -s /var/tmp/to_scwrl_1174913966.seq -o /var/tmp/from_scwrl_1174913966.pdb > /var/tmp/scwrl_1174913966.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1174913966.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_588429105.pdb -s /var/tmp/to_scwrl_588429105.seq -o /var/tmp/from_scwrl_588429105.pdb > /var/tmp/scwrl_588429105.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_588429105.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 Skipped atom 62, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 64, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 66, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 68, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 318, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 320, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 322, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 324, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 374, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 376, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 378, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 380, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 490, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 492, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 494, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 496, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_888348140.pdb -s /var/tmp/to_scwrl_888348140.seq -o /var/tmp/from_scwrl_888348140.pdb > /var/tmp/scwrl_888348140.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_888348140.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL2.pdb.gz looking for model 1 Skipped atom 98, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 100, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL2.pdb.gz # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_58211582.pdb -s /var/tmp/to_scwrl_58211582.seq -o /var/tmp/from_scwrl_58211582.pdb > /var/tmp/scwrl_58211582.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_58211582.pdb # conformation set from SCWRL output # 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 T0380 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1636994912.pdb -s /var/tmp/to_scwrl_1636994912.seq -o /var/tmp/from_scwrl_1636994912.pdb > /var/tmp/scwrl_1636994912.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1636994912.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL4.pdb.gz looking for model 1 Skipped atom 222, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 224, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 226, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 228, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 298, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 300, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 302, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 304, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1374129859.pdb -s /var/tmp/to_scwrl_1374129859.seq -o /var/tmp/from_scwrl_1374129859.pdb > /var/tmp/scwrl_1374129859.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1374129859.pdb # conformation set from SCWRL output # 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 T0380 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_281890036.pdb -s /var/tmp/to_scwrl_281890036.seq -o /var/tmp/from_scwrl_281890036.pdb > /var/tmp/scwrl_281890036.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_281890036.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_32998119.pdb -s /var/tmp/to_scwrl_32998119.seq -o /var/tmp/from_scwrl_32998119.pdb > /var/tmp/scwrl_32998119.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_32998119.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_928245209.pdb -s /var/tmp/to_scwrl_928245209.seq -o /var/tmp/from_scwrl_928245209.pdb > /var/tmp/scwrl_928245209.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_928245209.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_84872463.pdb -s /var/tmp/to_scwrl_84872463.seq -o /var/tmp/from_scwrl_84872463.pdb > /var/tmp/scwrl_84872463.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_84872463.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_278579982.pdb -s /var/tmp/to_scwrl_278579982.seq -o /var/tmp/from_scwrl_278579982.pdb > /var/tmp/scwrl_278579982.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_278579982.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL5 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_240431342.pdb -s /var/tmp/to_scwrl_240431342.seq -o /var/tmp/from_scwrl_240431342.pdb > /var/tmp/scwrl_240431342.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_240431342.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_613171515.pdb -s /var/tmp/to_scwrl_613171515.seq -o /var/tmp/from_scwrl_613171515.pdb > /var/tmp/scwrl_613171515.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_613171515.pdb # conformation set from SCWRL output # 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 T0380 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_523569815.pdb -s /var/tmp/to_scwrl_523569815.seq -o /var/tmp/from_scwrl_523569815.pdb > /var/tmp/scwrl_523569815.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_523569815.pdb # conformation set from SCWRL output # 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 T0380 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1955539383.pdb -s /var/tmp/to_scwrl_1955539383.seq -o /var/tmp/from_scwrl_1955539383.pdb > /var/tmp/scwrl_1955539383.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1955539383.pdb # conformation set from SCWRL output # 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 T0380 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_211237132.pdb -s /var/tmp/to_scwrl_211237132.seq -o /var/tmp/from_scwrl_211237132.pdb > /var/tmp/scwrl_211237132.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_211237132.pdb # conformation set from SCWRL output # 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 T0380 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_117430591.pdb -s /var/tmp/to_scwrl_117430591.seq -o /var/tmp/from_scwrl_117430591.pdb > /var/tmp/scwrl_117430591.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_117430591.pdb # conformation set from SCWRL output # 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 83 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_62085576.pdb -s /var/tmp/to_scwrl_62085576.seq -o /var/tmp/from_scwrl_62085576.pdb > /var/tmp/scwrl_62085576.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_62085576.pdb # conformation set from SCWRL output # 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 134 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_305740861.pdb -s /var/tmp/to_scwrl_305740861.seq -o /var/tmp/from_scwrl_305740861.pdb > /var/tmp/scwrl_305740861.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_305740861.pdb # conformation set from SCWRL output # 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 122 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1171910607.pdb -s /var/tmp/to_scwrl_1171910607.seq -o /var/tmp/from_scwrl_1171910607.pdb > /var/tmp/scwrl_1171910607.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1171910607.pdb # conformation set from SCWRL output # naming current conformation SP3_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS4.pdb.gz looking for model 1 # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1328721763.pdb -s /var/tmp/to_scwrl_1328721763.seq -o /var/tmp/from_scwrl_1328721763.pdb > /var/tmp/scwrl_1328721763.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1328721763.pdb # conformation set from SCWRL output # 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 110 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_2074054589.pdb -s /var/tmp/to_scwrl_2074054589.seq -o /var/tmp/from_scwrl_2074054589.pdb > /var/tmp/scwrl_2074054589.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2074054589.pdb # conformation set from SCWRL output # 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 131 ; scwrl3 -i /var/tmp/to_scwrl_1230639278.pdb -s /var/tmp/to_scwrl_1230639278.seq -o /var/tmp/from_scwrl_1230639278.pdb > /var/tmp/scwrl_1230639278.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1230639278.pdb # conformation set from SCWRL output # 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 134 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1796079051.pdb -s /var/tmp/to_scwrl_1796079051.seq -o /var/tmp/from_scwrl_1796079051.pdb > /var/tmp/scwrl_1796079051.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1796079051.pdb # conformation set from SCWRL output # 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 122 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_374141572.pdb -s /var/tmp/to_scwrl_374141572.seq -o /var/tmp/from_scwrl_374141572.pdb > /var/tmp/scwrl_374141572.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_374141572.pdb # conformation set from SCWRL output # 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 35 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_2143014245.pdb -s /var/tmp/to_scwrl_2143014245.seq -o /var/tmp/from_scwrl_2143014245.pdb > /var/tmp/scwrl_2143014245.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2143014245.pdb # conformation set from SCWRL output # 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 110 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_459163754.pdb -s /var/tmp/to_scwrl_459163754.seq -o /var/tmp/from_scwrl_459163754.pdb > /var/tmp/scwrl_459163754.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_459163754.pdb # conformation set from SCWRL output # 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 134 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1692687980.pdb -s /var/tmp/to_scwrl_1692687980.seq -o /var/tmp/from_scwrl_1692687980.pdb > /var/tmp/scwrl_1692687980.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1692687980.pdb # conformation set from SCWRL output # 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 122 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_729675367.pdb -s /var/tmp/to_scwrl_729675367.seq -o /var/tmp/from_scwrl_729675367.pdb > /var/tmp/scwrl_729675367.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_729675367.pdb # conformation set from SCWRL output # 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 83 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1186834702.pdb -s /var/tmp/to_scwrl_1186834702.seq -o /var/tmp/from_scwrl_1186834702.pdb > /var/tmp/scwrl_1186834702.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1186834702.pdb # conformation set from SCWRL output # 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 88 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1209042835.pdb -s /var/tmp/to_scwrl_1209042835.seq -o /var/tmp/from_scwrl_1209042835.pdb > /var/tmp/scwrl_1209042835.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1209042835.pdb # conformation set from SCWRL output # 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 35 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1904589334.pdb -s /var/tmp/to_scwrl_1904589334.seq -o /var/tmp/from_scwrl_1904589334.pdb > /var/tmp/scwrl_1904589334.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1904589334.pdb # conformation set from SCWRL output # 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 T0380 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1775263807.pdb -s /var/tmp/to_scwrl_1775263807.seq -o /var/tmp/from_scwrl_1775263807.pdb > /var/tmp/scwrl_1775263807.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1775263807.pdb # conformation set from SCWRL output # 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 T0380 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_2097390975.pdb -s /var/tmp/to_scwrl_2097390975.seq -o /var/tmp/from_scwrl_2097390975.pdb > /var/tmp/scwrl_2097390975.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2097390975.pdb # conformation set from SCWRL output # 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 T0380 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1962800916.pdb -s /var/tmp/to_scwrl_1962800916.seq -o /var/tmp/from_scwrl_1962800916.pdb > /var/tmp/scwrl_1962800916.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1962800916.pdb # conformation set from SCWRL output # 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 T0380 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1264775073.pdb -s /var/tmp/to_scwrl_1264775073.seq -o /var/tmp/from_scwrl_1264775073.pdb > /var/tmp/scwrl_1264775073.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1264775073.pdb # conformation set from SCWRL output # 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 T0380 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1324037188.pdb -s /var/tmp/to_scwrl_1324037188.seq -o /var/tmp/from_scwrl_1324037188.pdb > /var/tmp/scwrl_1324037188.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1324037188.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS5-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_expm_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_97207305.pdb -s /var/tmp/to_scwrl_97207305.seq -o /var/tmp/from_scwrl_97207305.pdb > /var/tmp/scwrl_97207305.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_97207305.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_expm_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL1.pdb.gz looking for model 1 Skipped atom 62, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 64, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 66, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 68, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 318, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 320, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 322, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 324, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 374, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 376, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 378, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 380, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 490, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 492, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 494, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 496, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1297773192.pdb -s /var/tmp/to_scwrl_1297773192.seq -o /var/tmp/from_scwrl_1297773192.pdb > /var/tmp/scwrl_1297773192.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1297773192.pdb # conformation set from SCWRL output # 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 98, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 100, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_104798750.pdb -s /var/tmp/to_scwrl_104798750.seq -o /var/tmp/from_scwrl_104798750.pdb > /var/tmp/scwrl_104798750.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_104798750.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL2-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_182079768.pdb -s /var/tmp/to_scwrl_182079768.seq -o /var/tmp/from_scwrl_182079768.pdb > /var/tmp/scwrl_182079768.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_182079768.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL3-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1576353174.pdb -s /var/tmp/to_scwrl_1576353174.seq -o /var/tmp/from_scwrl_1576353174.pdb > /var/tmp/scwrl_1576353174.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1576353174.pdb # conformation set from SCWRL output # 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 T0380 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_345230092.pdb -s /var/tmp/to_scwrl_345230092.seq -o /var/tmp/from_scwrl_345230092.pdb > /var/tmp/scwrl_345230092.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_345230092.pdb # conformation set from SCWRL output # 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 83 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_795251284.pdb -s /var/tmp/to_scwrl_795251284.seq -o /var/tmp/from_scwrl_795251284.pdb > /var/tmp/scwrl_795251284.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_795251284.pdb # conformation set from SCWRL output # 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 83 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_2099922989.pdb -s /var/tmp/to_scwrl_2099922989.seq -o /var/tmp/from_scwrl_2099922989.pdb > /var/tmp/scwrl_2099922989.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2099922989.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS2-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS3.pdb.gz looking for model 1 # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_153285828.pdb -s /var/tmp/to_scwrl_153285828.seq -o /var/tmp/from_scwrl_153285828.pdb > /var/tmp/scwrl_153285828.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_153285828.pdb # conformation set from SCWRL output # 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 141 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1006488416.pdb -s /var/tmp/to_scwrl_1006488416.seq -o /var/tmp/from_scwrl_1006488416.pdb > /var/tmp/scwrl_1006488416.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1006488416.pdb # conformation set from SCWRL output # 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 137 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_69869934.pdb -s /var/tmp/to_scwrl_69869934.seq -o /var/tmp/from_scwrl_69869934.pdb > /var/tmp/scwrl_69869934.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_69869934.pdb # conformation set from SCWRL output # 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 143 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_215371404.pdb -s /var/tmp/to_scwrl_215371404.seq -o /var/tmp/from_scwrl_215371404.pdb > /var/tmp/scwrl_215371404.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_215371404.pdb # conformation set from SCWRL output # naming current conformation beautshot_TS1-scwrl # ReadConformPDB reading from PDB file servers/beautshotbase_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1312229276.pdb -s /var/tmp/to_scwrl_1312229276.seq -o /var/tmp/from_scwrl_1312229276.pdb > /var/tmp/scwrl_1312229276.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1312229276.pdb # conformation set from SCWRL output # naming current conformation beautshotbase_TS1-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1241780541.pdb -s /var/tmp/to_scwrl_1241780541.seq -o /var/tmp/from_scwrl_1241780541.pdb > /var/tmp/scwrl_1241780541.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1241780541.pdb # conformation set from SCWRL output # 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 T0380 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1544093167.pdb -s /var/tmp/to_scwrl_1544093167.seq -o /var/tmp/from_scwrl_1544093167.pdb > /var/tmp/scwrl_1544093167.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1544093167.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL2-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL3.pdb.gz looking for model 1 Skipped atom 137, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 138, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 139, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 140, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 525, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 526, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 527, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 528, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 533, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 534, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 535, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 536, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 541, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 542, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 543, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 544, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 549, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 550, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 551, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 552, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 557, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 558, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 559, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 560, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 565, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 566, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 567, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 568, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 573, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 574, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 575, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 576, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 581, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 582, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 583, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 584, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 589, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 590, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 591, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 592, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 597, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 598, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 599, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 600, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 605, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 606, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 607, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 608, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 613, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 614, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 615, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 616, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 621, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 622, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 623, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 624, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1238800218.pdb -s /var/tmp/to_scwrl_1238800218.seq -o /var/tmp/from_scwrl_1238800218.pdb > /var/tmp/scwrl_1238800218.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1238800218.pdb # conformation set from SCWRL output # 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 T0380 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_324936173.pdb -s /var/tmp/to_scwrl_324936173.seq -o /var/tmp/from_scwrl_324936173.pdb > /var/tmp/scwrl_324936173.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_324936173.pdb # conformation set from SCWRL output # 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 T0380 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1192688572.pdb -s /var/tmp/to_scwrl_1192688572.seq -o /var/tmp/from_scwrl_1192688572.pdb > /var/tmp/scwrl_1192688572.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1192688572.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1612941791.pdb -s /var/tmp/to_scwrl_1612941791.seq -o /var/tmp/from_scwrl_1612941791.pdb > /var/tmp/scwrl_1612941791.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1612941791.pdb # conformation set from SCWRL output # 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 46 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_320466771.pdb -s /var/tmp/to_scwrl_320466771.seq -o /var/tmp/from_scwrl_320466771.pdb > /var/tmp/scwrl_320466771.log sh: line 1: 6598 Killed scwrl3 -i /var/tmp/to_scwrl_320466771.pdb -s /var/tmp/to_scwrl_320466771.seq -o /var/tmp/from_scwrl_320466771.pdb >/var/tmp/scwrl_320466771.log Error: Couldn't open file /var/tmp/from_scwrl_320466771.pdb or /var/tmp/from_scwrl_320466771.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_320466771_b.pdb or decoys//var/tmp/from_scwrl_320466771_b.pdb.gz for input Trying /var/tmp/from_scwrl_320466771_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_320466771_b.pdb or /var/tmp/from_scwrl_320466771_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_320466771_a.pdb or decoys//var/tmp/from_scwrl_320466771_a.pdb.gz for input Trying /var/tmp/from_scwrl_320466771_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_320466771_a.pdb or /var/tmp/from_scwrl_320466771_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_320466771.pdb or /var/tmp/from_scwrl_320466771_b.pdb or /var/tmp/from_scwrl_320466771_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 # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1651852326.pdb -s /var/tmp/to_scwrl_1651852326.seq -o /var/tmp/from_scwrl_1651852326.pdb > /var/tmp/scwrl_1651852326.log sh: line 1: 6647 Killed scwrl3 -i /var/tmp/to_scwrl_1651852326.pdb -s /var/tmp/to_scwrl_1651852326.seq -o /var/tmp/from_scwrl_1651852326.pdb >/var/tmp/scwrl_1651852326.log Error: Couldn't open file /var/tmp/from_scwrl_1651852326.pdb or /var/tmp/from_scwrl_1651852326.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1651852326_b.pdb or decoys//var/tmp/from_scwrl_1651852326_b.pdb.gz for input Trying /var/tmp/from_scwrl_1651852326_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1651852326_b.pdb or /var/tmp/from_scwrl_1651852326_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1651852326_a.pdb or decoys//var/tmp/from_scwrl_1651852326_a.pdb.gz for input Trying /var/tmp/from_scwrl_1651852326_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1651852326_a.pdb or /var/tmp/from_scwrl_1651852326_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1651852326.pdb or /var/tmp/from_scwrl_1651852326_b.pdb or /var/tmp/from_scwrl_1651852326_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 97 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1158146124.pdb -s /var/tmp/to_scwrl_1158146124.seq -o /var/tmp/from_scwrl_1158146124.pdb > /var/tmp/scwrl_1158146124.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1158146124.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS5.pdb.gz looking for model 1 # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1050142139.pdb -s /var/tmp/to_scwrl_1050142139.seq -o /var/tmp/from_scwrl_1050142139.pdb > /var/tmp/scwrl_1050142139.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1050142139.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS1.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_691203382.pdb -s /var/tmp/to_scwrl_691203382.seq -o /var/tmp/from_scwrl_691203382.pdb > /var/tmp/scwrl_691203382.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_691203382.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS2.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_219705313.pdb -s /var/tmp/to_scwrl_219705313.seq -o /var/tmp/from_scwrl_219705313.pdb > /var/tmp/scwrl_219705313.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_219705313.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 WARNING: atoms too close: (T0380)F121.O and (T0380)T122.N only 0.000 apart, marking (T0380)T122.N as missing # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_807247826.pdb -s /var/tmp/to_scwrl_807247826.seq -o /var/tmp/from_scwrl_807247826.pdb > /var/tmp/scwrl_807247826.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_807247826.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS4.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_318983543.pdb -s /var/tmp/to_scwrl_318983543.seq -o /var/tmp/from_scwrl_318983543.pdb > /var/tmp/scwrl_318983543.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_318983543.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS5.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_169612642.pdb -s /var/tmp/to_scwrl_169612642.seq -o /var/tmp/from_scwrl_169612642.pdb > /var/tmp/scwrl_169612642.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_169612642.pdb # conformation set from SCWRL output # 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 T0380 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_622565095.pdb -s /var/tmp/to_scwrl_622565095.seq -o /var/tmp/from_scwrl_622565095.pdb > /var/tmp/scwrl_622565095.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_622565095.pdb # conformation set from SCWRL output # 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 T0380 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1583758616.pdb -s /var/tmp/to_scwrl_1583758616.seq -o /var/tmp/from_scwrl_1583758616.pdb > /var/tmp/scwrl_1583758616.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1583758616.pdb # conformation set from SCWRL output # 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 T0380 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1493649830.pdb -s /var/tmp/to_scwrl_1493649830.seq -o /var/tmp/from_scwrl_1493649830.pdb > /var/tmp/scwrl_1493649830.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1493649830.pdb # conformation set from SCWRL output # 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 T0380 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_719772400.pdb -s /var/tmp/to_scwrl_719772400.seq -o /var/tmp/from_scwrl_719772400.pdb > /var/tmp/scwrl_719772400.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_719772400.pdb # conformation set from SCWRL output # 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 T0380 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_734048162.pdb -s /var/tmp/to_scwrl_734048162.seq -o /var/tmp/from_scwrl_734048162.pdb > /var/tmp/scwrl_734048162.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_734048162.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS5-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1598448580.pdb -s /var/tmp/to_scwrl_1598448580.seq -o /var/tmp/from_scwrl_1598448580.pdb > /var/tmp/scwrl_1598448580.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1598448580.pdb # conformation set from SCWRL output # 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 128 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_901852168.pdb -s /var/tmp/to_scwrl_901852168.seq -o /var/tmp/from_scwrl_901852168.pdb > /var/tmp/scwrl_901852168.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_901852168.pdb # conformation set from SCWRL output # 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 144 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_162917690.pdb -s /var/tmp/to_scwrl_162917690.seq -o /var/tmp/from_scwrl_162917690.pdb > /var/tmp/scwrl_162917690.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_162917690.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1943678672.pdb -s /var/tmp/to_scwrl_1943678672.seq -o /var/tmp/from_scwrl_1943678672.pdb > /var/tmp/scwrl_1943678672.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1943678672.pdb # conformation set from SCWRL output # 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 84 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1697103451.pdb -s /var/tmp/to_scwrl_1697103451.seq -o /var/tmp/from_scwrl_1697103451.pdb > /var/tmp/scwrl_1697103451.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1697103451.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS5-scwrl # ReadConformPDB reading from PDB file servers/mGen-3D_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_115357032.pdb -s /var/tmp/to_scwrl_115357032.seq -o /var/tmp/from_scwrl_115357032.pdb > /var/tmp/scwrl_115357032.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_115357032.pdb # conformation set from SCWRL output # naming current conformation mGen-3D_TS1-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_2096964500.pdb -s /var/tmp/to_scwrl_2096964500.seq -o /var/tmp/from_scwrl_2096964500.pdb > /var/tmp/scwrl_2096964500.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2096964500.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS1-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_556108221.pdb -s /var/tmp/to_scwrl_556108221.seq -o /var/tmp/from_scwrl_556108221.pdb > /var/tmp/scwrl_556108221.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_556108221.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS2-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_185226966.pdb -s /var/tmp/to_scwrl_185226966.seq -o /var/tmp/from_scwrl_185226966.pdb > /var/tmp/scwrl_185226966.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_185226966.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS3-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_164852258.pdb -s /var/tmp/to_scwrl_164852258.seq -o /var/tmp/from_scwrl_164852258.pdb > /var/tmp/scwrl_164852258.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_164852258.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS4-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1868337497.pdb -s /var/tmp/to_scwrl_1868337497.seq -o /var/tmp/from_scwrl_1868337497.pdb > /var/tmp/scwrl_1868337497.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1868337497.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS5-scwrl # ReadConformPDB reading from PDB file servers/panther2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1427007508.pdb -s /var/tmp/to_scwrl_1427007508.seq -o /var/tmp/from_scwrl_1427007508.pdb > /var/tmp/scwrl_1427007508.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1427007508.pdb # conformation set from SCWRL output # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/panther3_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # naming current conformation panther3_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_1708945425.pdb -s /var/tmp/to_scwrl_1708945425.seq -o /var/tmp/from_scwrl_1708945425.pdb > /var/tmp/scwrl_1708945425.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1708945425.pdb # conformation set from SCWRL output # naming current conformation panther3_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0380 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 131 ; scwrl3 -i /var/tmp/to_scwrl_959654070.pdb -s /var/tmp/to_scwrl_959654070.seq -o /var/tmp/from_scwrl_959654070.pdb > /var/tmp/scwrl_959654070.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_959654070.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 53.475 sec, elapsed time= 888.041 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 63.546 real_cost = -27.059 shub_TS1 costs 63.546 real_cost = -25.756 panther3_TS1-scwrl costs 118.730 real_cost = 485.127 panther3_TS1 costs 118.688 real_cost = 474.903 panther2_TS1-scwrl costs 95.257 real_cost = 225.443 panther2_TS1 costs 95.258 real_cost = 238.202 nFOLD_TS5-scwrl costs 77.294 real_cost = 156.204 nFOLD_TS5 costs 77.308 real_cost = 226.274 nFOLD_TS4-scwrl costs 79.453 real_cost = 178.347 nFOLD_TS4 costs 79.568 real_cost = 238.625 nFOLD_TS3-scwrl costs 63.514 real_cost = 51.800 nFOLD_TS3 costs 63.491 real_cost = 105.277 nFOLD_TS2-scwrl costs 78.494 real_cost = 166.209 nFOLD_TS2 costs 78.484 real_cost = 248.201 nFOLD_TS1-scwrl costs 62.657 real_cost = -39.775 nFOLD_TS1 costs 62.643 real_cost = 20.182 mGen-3D_TS1-scwrl costs 66.717 real_cost = 19.313 mGen-3D_TS1 costs 66.687 real_cost = 85.993 keasar-server_TS5-scwrl costs 65.569 real_cost = 55.604 keasar-server_TS5 costs 65.569 real_cost = 66.008 keasar-server_TS4-scwrl costs 76.171 real_cost = 41.843 keasar-server_TS4 costs 76.171 real_cost = 60.947 keasar-server_TS3-scwrl costs 80.935 real_cost = 49.912 keasar-server_TS3 costs 80.935 real_cost = 43.676 keasar-server_TS2-scwrl costs 78.960 real_cost = 53.012 keasar-server_TS2 costs 78.960 real_cost = 71.406 keasar-server_TS1-scwrl costs 80.801 real_cost = 36.951 keasar-server_TS1 costs 80.801 real_cost = 53.551 karypis.srv_TS5-scwrl costs 76.219 real_cost = 240.953 karypis.srv_TS5 costs 76.186 real_cost = 238.559 karypis.srv_TS4-scwrl costs 68.519 real_cost = 70.940 karypis.srv_TS4 costs 68.487 real_cost = 68.540 karypis.srv_TS3-scwrl costs 71.534 real_cost = 17.694 karypis.srv_TS3 costs 71.601 real_cost = 12.007 karypis.srv_TS2-scwrl costs 61.821 real_cost = 54.974 karypis.srv_TS2 costs 61.829 real_cost = 52.574 karypis.srv_TS1-scwrl costs 61.349 real_cost = 5.841 karypis.srv_TS1 costs 61.323 real_cost = 1.299 karypis.srv.4_TS5-scwrl costs 137.111 real_cost = 297.715 karypis.srv.4_TS5 costs 137.111 real_cost = 297.712 karypis.srv.4_TS4-scwrl costs 125.754 real_cost = 269.761 karypis.srv.4_TS4 costs 125.754 real_cost = 269.761 karypis.srv.4_TS3-scwrl costs 134.980 real_cost = 311.597 karypis.srv.4_TS3 costs 134.980 real_cost = 311.599 karypis.srv.4_TS2-scwrl costs 130.874 real_cost = 289.336 karypis.srv.4_TS2 costs 130.874 real_cost = 284.652 karypis.srv.4_TS1-scwrl costs 141.558 real_cost = 290.332 karypis.srv.4_TS1 costs 141.558 real_cost = 290.332 karypis.srv.2_TS5-scwrl costs 66.997 real_cost = 7.062 karypis.srv.2_TS5 costs 66.997 real_cost = 7.062 karypis.srv.2_TS4-scwrl costs 71.579 real_cost = 21.682 karypis.srv.2_TS4 costs 71.579 real_cost = 21.682 karypis.srv.2_TS3-scwrl costs 67.318 real_cost = 14.382 karypis.srv.2_TS2-scwrl costs 66.169 real_cost = 11.449 karypis.srv.2_TS1-scwrl costs 69.495 real_cost = 10.058 karypis.srv.2_TS1 costs 69.495 real_cost = 10.058 forecast-s_AL5-scwrl costs 111.312 real_cost = 317.935 forecast-s_AL5 costs 111.439 real_cost = 386.308 forecast-s_AL4-scwrl costs 88.563 real_cost = 290.837 forecast-s_AL4 costs 88.563 real_cost = 285.522 forecast-s_AL3-scwrl costs 110.574 real_cost = 359.989 forecast-s_AL3 costs 110.574 real_cost = 358.899 forecast-s_AL2-scwrl costs 81.207 real_cost = 48.995 forecast-s_AL2 costs 81.212 real_cost = 102.792 forecast-s_AL1-scwrl costs 77.756 real_cost = 75.499 forecast-s_AL1 costs 77.756 real_cost = 168.087 beautshotbase_TS1-scwrl costs 70.688 real_cost = -111.965 beautshotbase_TS1 costs 70.684 real_cost = -111.739 beautshot_TS1-scwrl costs 66.116 real_cost = -112.488 beautshot_TS1 costs 66.116 real_cost = -108.628 Zhang-Server_TS5-scwrl costs 46.624 real_cost = -145.281 Zhang-Server_TS5 costs 46.624 real_cost = -145.281 Zhang-Server_TS4-scwrl costs 48.063 real_cost = -129.414 Zhang-Server_TS4 costs 48.063 real_cost = -129.414 Zhang-Server_TS3-scwrl costs 44.624 real_cost = -149.988 Zhang-Server_TS3 costs 44.624 real_cost = -149.988 Zhang-Server_TS2-scwrl costs 45.696 real_cost = -156.957 Zhang-Server_TS2 costs 45.696 real_cost = -156.957 Zhang-Server_TS1-scwrl costs 48.489 real_cost = -146.125 Zhang-Server_TS1 costs 48.489 real_cost = -146.125 UNI-EID_sfst_AL5-scwrl costs 66.898 real_cost = 16.546 UNI-EID_sfst_AL5 costs 66.817 real_cost = 100.192 UNI-EID_sfst_AL4-scwrl costs 64.763 real_cost = 29.812 UNI-EID_sfst_AL4 costs 64.732 real_cost = 117.085 UNI-EID_sfst_AL3-scwrl costs 67.799 real_cost = 23.118 UNI-EID_sfst_AL3 costs 67.817 real_cost = 105.180 UNI-EID_sfst_AL2-scwrl costs 57.491 real_cost = -1.557 UNI-EID_sfst_AL2 costs 57.454 real_cost = 85.013 UNI-EID_sfst_AL1-scwrl costs 52.856 real_cost = -158.613 UNI-EID_sfst_AL1 costs 52.920 real_cost = -75.986 UNI-EID_expm_TS1-scwrl costs 72.211 real_cost = -160.541 UNI-EID_expm_TS1 costs 72.211 real_cost = -81.996 UNI-EID_bnmx_TS5-scwrl costs 65.450 real_cost = 13.315 UNI-EID_bnmx_TS5 costs 65.413 real_cost = 103.517 UNI-EID_bnmx_TS4-scwrl costs 62.960 real_cost = 25.610 UNI-EID_bnmx_TS4 costs 62.915 real_cost = 113.877 UNI-EID_bnmx_TS3-scwrl costs 62.332 real_cost = 3.232 UNI-EID_bnmx_TS3 costs 62.324 real_cost = 91.040 UNI-EID_bnmx_TS2-scwrl costs 56.762 real_cost = -16.563 UNI-EID_bnmx_TS2 costs 56.740 real_cost = 72.447 UNI-EID_bnmx_TS1-scwrl costs 52.856 real_cost = -158.613 UNI-EID_bnmx_TS1 costs 52.920 real_cost = -75.986 SPARKS2_TS5-scwrl costs 51.140 real_cost = -3.145 SPARKS2_TS5 costs 51.140 real_cost = 9.211 SPARKS2_TS4-scwrl costs 62.327 real_cost = 32.850 SPARKS2_TS4 costs 62.327 real_cost = 31.008 SPARKS2_TS3-scwrl costs 65.385 real_cost = -41.380 SPARKS2_TS3 costs 65.385 real_cost = -43.794 SPARKS2_TS2-scwrl costs 57.190 real_cost = 19.106 SPARKS2_TS2 costs 57.190 real_cost = 21.915 SPARKS2_TS1-scwrl costs 61.465 real_cost = -24.936 SPARKS2_TS1 costs 61.465 real_cost = -24.052 SP4_TS5-scwrl costs 60.959 real_cost = -14.415 SP4_TS5 costs 60.959 real_cost = -6.719 SP4_TS4-scwrl costs 52.107 real_cost = -10.304 SP4_TS4 costs 52.107 real_cost = 6.298 SP4_TS3-scwrl costs 55.891 real_cost = 26.178 SP4_TS3 costs 55.891 real_cost = 26.177 SP4_TS2-scwrl costs 60.568 real_cost = -15.156 SP4_TS2 costs 60.568 real_cost = -12.064 SP4_TS1-scwrl costs 65.385 real_cost = -41.380 SP4_TS1 costs 65.385 real_cost = -43.794 SP3_TS5-scwrl costs 55.618 real_cost = 0.514 SP3_TS5 costs 55.618 real_cost = -0.419 SP3_TS4-scwrl costs 52.281 real_cost = 1.132 SP3_TS4 costs 52.281 real_cost = 10.780 SP3_TS3-scwrl costs 57.190 real_cost = 19.106 SP3_TS3 costs 57.190 real_cost = 21.915 SP3_TS2-scwrl costs 61.465 real_cost = -24.936 SP3_TS2 costs 61.465 real_cost = -24.052 SP3_TS1-scwrl costs 65.385 real_cost = -41.380 SP3_TS1 costs 65.385 real_cost = -43.794 SAM_T06_server_TS5-scwrl costs 75.728 real_cost = 68.435 SAM_T06_server_TS5 costs 75.770 real_cost = 18.639 SAM_T06_server_TS4-scwrl costs 81.957 real_cost = 105.408 SAM_T06_server_TS4 costs 81.886 real_cost = 56.413 SAM_T06_server_TS3-scwrl costs 64.665 real_cost = -2.416 SAM_T06_server_TS3 costs 64.709 real_cost = -16.879 SAM_T06_server_TS2-scwrl costs 70.567 real_cost = -10.073 SAM_T06_server_TS2 costs 70.466 real_cost = -86.391 SAM_T06_server_TS1-scwrl costs 61.056 real_cost = -58.258 SAM_T06_server_TS1 costs 61.056 real_cost = -55.090 SAM-T99_AL5-scwrl costs 77.650 real_cost = 78.773 SAM-T99_AL5 costs 77.627 real_cost = 143.401 SAM-T99_AL4-scwrl costs 61.426 real_cost = 47.028 SAM-T99_AL4 costs 61.449 real_cost = 136.869 SAM-T99_AL3-scwrl costs 64.763 real_cost = 43.001 SAM-T99_AL3 costs 64.785 real_cost = 136.732 SAM-T99_AL2-scwrl costs 64.791 real_cost = 42.449 SAM-T99_AL2 costs 64.814 real_cost = 135.602 SAM-T99_AL1-scwrl costs 65.758 real_cost = 42.395 SAM-T99_AL1 costs 65.781 real_cost = 132.481 SAM-T02_AL5-scwrl costs 80.396 real_cost = 162.538 SAM-T02_AL5 costs 80.388 real_cost = 199.612 SAM-T02_AL4-scwrl costs 65.213 real_cost = 116.662 SAM-T02_AL4 costs 65.188 real_cost = 166.817 SAM-T02_AL3-scwrl costs 75.616 real_cost = 129.991 SAM-T02_AL3 costs 75.632 real_cost = 199.029 SAM-T02_AL2-scwrl costs 62.524 real_cost = 126.451 SAM-T02_AL2 costs 62.823 real_cost = 188.835 SAM-T02_AL1-scwrl costs 53.953 real_cost = -123.525 SAM-T02_AL1 costs 54.052 real_cost = -43.662 ROKKY_TS5-scwrl costs 53.047 real_cost = -173.604 ROKKY_TS5 costs 53.047 real_cost = -174.119 ROKKY_TS4-scwrl costs 60.047 real_cost = 32.217 ROKKY_TS4 costs 60.047 real_cost = 25.819 ROKKY_TS3-scwrl costs 56.442 real_cost = 2.995 ROKKY_TS3 costs 56.442 real_cost = 2.743 ROKKY_TS2-scwrl costs 60.991 real_cost = 9.220 ROKKY_TS2 costs 60.991 real_cost = 18.733 ROKKY_TS1-scwrl costs 69.218 real_cost = 42.718 ROKKY_TS1 costs 69.218 real_cost = 45.163 ROBETTA_TS5-scwrl costs 43.345 real_cost = -195.297 ROBETTA_TS5 costs 43.345 real_cost = -199.762 ROBETTA_TS4-scwrl costs 46.463 real_cost = -180.814 ROBETTA_TS4 costs 46.463 real_cost = -186.985 ROBETTA_TS3-scwrl costs 44.441 real_cost = -107.838 ROBETTA_TS3 costs 44.441 real_cost = -112.369 ROBETTA_TS2-scwrl costs 46.589 real_cost = -187.912 ROBETTA_TS2 costs 46.589 real_cost = -196.718 ROBETTA_TS1-scwrl costs 49.136 real_cost = -157.996 ROBETTA_TS1 costs 49.136 real_cost = -167.785 RAPTOR_TS5-scwrl costs 72.631 real_cost = -1.468 RAPTOR_TS5 costs 72.631 real_cost = -8.443 RAPTOR_TS4-scwrl costs 65.474 real_cost = -18.034 RAPTOR_TS4 costs 65.474 real_cost = -19.306 RAPTOR_TS3-scwrl costs 67.952 real_cost = 17.366 RAPTOR_TS3 costs 67.952 real_cost = 20.168 RAPTOR_TS2-scwrl costs 54.282 real_cost = -17.661 RAPTOR_TS2 costs 54.282 real_cost = -10.012 RAPTOR_TS1-scwrl costs 49.562 real_cost = -186.109 RAPTOR_TS1 costs 49.562 real_cost = -176.522 RAPTORESS_TS5-scwrl costs 81.560 real_cost = 14.425 RAPTORESS_TS5 costs 81.560 real_cost = 16.860 RAPTORESS_TS4-scwrl costs 81.338 real_cost = -16.543 RAPTORESS_TS4 costs 81.338 real_cost = -13.582 RAPTORESS_TS3-scwrl costs 82.339 real_cost = 33.224 RAPTORESS_TS3 costs 82.339 real_cost = 39.701 RAPTORESS_TS2-scwrl costs 68.073 real_cost = -8.493 RAPTORESS_TS2 costs 68.073 real_cost = -2.413 RAPTORESS_TS1-scwrl costs 67.948 real_cost = -158.305 RAPTORESS_TS1 costs 67.948 real_cost = -155.995 RAPTOR-ACE_TS5-scwrl costs 64.931 real_cost = -45.061 RAPTOR-ACE_TS5 costs 64.931 real_cost = -50.379 RAPTOR-ACE_TS4-scwrl costs 63.569 real_cost = -79.800 RAPTOR-ACE_TS4 costs 63.569 real_cost = -75.182 RAPTOR-ACE_TS3-scwrl costs 53.908 real_cost = 9.847 RAPTOR-ACE_TS3 costs 53.908 real_cost = 8.327 RAPTOR-ACE_TS2-scwrl costs 50.371 real_cost = -173.976 RAPTOR-ACE_TS2 costs 50.371 real_cost = -178.961 RAPTOR-ACE_TS1-scwrl costs 46.425 real_cost = -107.986 RAPTOR-ACE_TS1 costs 46.425 real_cost = -113.992 Pmodeller6_TS5-scwrl costs 43.345 real_cost = -195.297 Pmodeller6_TS5 costs 43.345 real_cost = -199.762 Pmodeller6_TS4-scwrl costs 49.136 real_cost = -157.996 Pmodeller6_TS4 costs 49.136 real_cost = -167.785 Pmodeller6_TS3-scwrl costs 46.463 real_cost = -180.814 Pmodeller6_TS3 costs 46.463 real_cost = -186.985 Pmodeller6_TS2-scwrl costs 44.441 real_cost = -107.838 Pmodeller6_TS2 costs 44.441 real_cost = -112.369 Pmodeller6_TS1-scwrl costs 46.589 real_cost = -187.912 Pmodeller6_TS1 costs 46.589 real_cost = -196.718 Phyre-2_TS5-scwrl costs 63.208 real_cost = 5.295 Phyre-2_TS5 costs 63.208 real_cost = -1.512 Phyre-2_TS4-scwrl costs 59.011 real_cost = -14.848 Phyre-2_TS4 costs 59.011 real_cost = -15.312 Phyre-2_TS3-scwrl costs 70.928 real_cost = 14.504 Phyre-2_TS3 costs 70.928 real_cost = 8.518 Phyre-2_TS2-scwrl costs 70.928 real_cost = 14.504 Phyre-2_TS2 costs 70.928 real_cost = 8.518 Phyre-2_TS1-scwrl costs 54.499 real_cost = -135.915 Phyre-2_TS1 costs 54.499 real_cost = -133.307 Phyre-1_TS1-scwrl costs 65.517 real_cost = 1.877 Phyre-1_TS1 costs 65.505 real_cost = -0.395 Pcons6_TS5-scwrl costs 58.351 real_cost = 24.626 Pcons6_TS5 costs 58.351 real_cost = 25.184 Pcons6_TS4-scwrl costs 56.251 real_cost = 27.590 Pcons6_TS4 costs 56.251 real_cost = 28.144 Pcons6_TS3-scwrl costs 57.586 real_cost = -41.416 Pcons6_TS3 costs 57.615 real_cost = -43.210 Pcons6_TS2-scwrl costs 46.964 real_cost = -125.853 Pcons6_TS2 costs 46.952 real_cost = -131.555 Pcons6_TS1-scwrl costs 67.043 real_cost = -31.511 Pcons6_TS1 costs 67.039 real_cost = -42.205 PROTINFO_TS5-scwrl costs 58.620 real_cost = 7.057 PROTINFO_TS5 costs 58.620 real_cost = 10.971 PROTINFO_TS4-scwrl costs 61.492 real_cost = 6.064 PROTINFO_TS4 costs 61.492 real_cost = 11.368 PROTINFO_TS3-scwrl costs 69.942 real_cost = 70.464 PROTINFO_TS3 costs 69.942 real_cost = 79.947 PROTINFO_TS2-scwrl costs 66.021 real_cost = 25.226 PROTINFO_TS2 costs 66.021 real_cost = 25.313 PROTINFO_TS1-scwrl costs 58.612 real_cost = 21.502 PROTINFO_TS1 costs 58.612 real_cost = 23.917 PROTINFO-AB_TS5-scwrl costs 63.968 real_cost = 14.549 PROTINFO-AB_TS5 costs 63.968 real_cost = 14.972 PROTINFO-AB_TS4-scwrl costs 64.792 real_cost = 15.927 PROTINFO-AB_TS4 costs 64.792 real_cost = 18.878 PROTINFO-AB_TS3-scwrl costs 62.574 real_cost = 24.487 PROTINFO-AB_TS3 costs 62.574 real_cost = 27.536 PROTINFO-AB_TS2-scwrl costs 62.927 real_cost = 18.611 PROTINFO-AB_TS2 costs 62.927 real_cost = 11.253 PROTINFO-AB_TS1-scwrl costs 62.713 real_cost = 12.038 PROTINFO-AB_TS1 costs 62.713 real_cost = 17.949 NN_PUT_lab_TS1-scwrl costs 63.315 real_cost = -56.506 NN_PUT_lab_TS1 costs 63.282 real_cost = -58.571 MetaTasser_TS5-scwrl costs 69.867 real_cost = -22.076 MetaTasser_TS5 costs 69.867 real_cost = -23.451 MetaTasser_TS4-scwrl costs 77.484 real_cost = -17.410 MetaTasser_TS4 costs 77.484 real_cost = -12.966 MetaTasser_TS3-scwrl costs 64.595 real_cost = -11.103 MetaTasser_TS3 costs 64.595 real_cost = -7.870 MetaTasser_TS2-scwrl costs 73.312 real_cost = -36.671 MetaTasser_TS2 costs 73.312 real_cost = -30.078 MetaTasser_TS1-scwrl costs 69.970 real_cost = -97.873 MetaTasser_TS1 costs 69.970 real_cost = -92.599 Ma-OPUS-server_TS5-scwrl costs 48.276 real_cost = -47.920 Ma-OPUS-server_TS5 costs 48.276 real_cost = -47.767 Ma-OPUS-server_TS4-scwrl costs 53.995 real_cost = -1.198 Ma-OPUS-server_TS4 costs 53.995 real_cost = 0.414 Ma-OPUS-server_TS3-scwrl costs 50.926 real_cost = -1.036 Ma-OPUS-server_TS3 costs 50.926 real_cost = 4.521 Ma-OPUS-server_TS2-scwrl costs 53.773 real_cost = -150.749 Ma-OPUS-server_TS2 costs 53.773 real_cost = -143.949 Ma-OPUS-server_TS1-scwrl costs 51.721 real_cost = -173.568 Ma-OPUS-server_TS1 costs 51.721 real_cost = -170.717 Ma-OPUS-server2_TS5-scwrl costs 69.679 real_cost = -15.502 Ma-OPUS-server2_TS5 costs 69.679 real_cost = -0.422 Ma-OPUS-server2_TS4-scwrl costs 45.871 real_cost = -23.779 Ma-OPUS-server2_TS4 costs 45.871 real_cost = -12.381 Ma-OPUS-server2_TS3-scwrl costs 65.660 real_cost = 141.165 Ma-OPUS-server2_TS3 costs 65.660 real_cost = 148.263 Ma-OPUS-server2_TS2-scwrl costs 53.773 real_cost = -150.749 Ma-OPUS-server2_TS2 costs 53.773 real_cost = -143.949 Ma-OPUS-server2_TS1-scwrl costs 51.721 real_cost = -173.568 Ma-OPUS-server2_TS1 costs 51.721 real_cost = -170.717 MIG_FROST_AL1-scwrl costs 79.576 real_cost = 182.210 MIG_FROST_AL1 costs 79.595 real_cost = 255.672 LOOPP_TS5-scwrl costs 58.947 real_cost = 53.259 LOOPP_TS5 costs 58.955 real_cost = 52.649 LOOPP_TS4-scwrl costs 57.940 real_cost = 29.359 LOOPP_TS4 costs 57.922 real_cost = 26.539 LOOPP_TS3-scwrl costs 66.823 real_cost = 77.080 LOOPP_TS3 costs 66.781 real_cost = 73.150 LOOPP_TS2-scwrl costs 55.076 real_cost = 13.229 LOOPP_TS2 costs 55.067 real_cost = 17.389 LOOPP_TS1-scwrl costs 63.315 real_cost = -56.506 LOOPP_TS1 costs 63.282 real_cost = -58.571 Huber-Torda-Server_TS5-scwrl costs 124.215 real_cost = 371.057 Huber-Torda-Server_TS5 costs 124.146 real_cost = 435.123 Huber-Torda-Server_TS4-scwrl costs 104.945 real_cost = 383.110 Huber-Torda-Server_TS4 costs 104.837 real_cost = 447.395 Huber-Torda-Server_TS3-scwrl costs 100.667 real_cost = 309.596 Huber-Torda-Server_TS3 costs 100.570 real_cost = 368.342 Huber-Torda-Server_TS2-scwrl costs 59.021 real_cost = 176.576 Huber-Torda-Server_TS2 costs 58.980 real_cost = 240.382 Huber-Torda-Server_TS1-scwrl costs 59.899 real_cost = -91.160 Huber-Torda-Server_TS1 costs 59.877 real_cost = -39.658 HHpred3_TS1-scwrl costs 47.720 real_cost = -191.149 HHpred3_TS1 costs 47.720 real_cost = -184.864 HHpred2_TS1-scwrl costs 47.720 real_cost = -191.149 HHpred2_TS1 costs 47.720 real_cost = -184.864 HHpred1_TS1-scwrl costs 51.258 real_cost = -130.521 HHpred1_TS1 costs 51.258 real_cost = -129.528 GeneSilicoMetaServer_TS5-scwrl costs 69.105 real_cost = -41.659 GeneSilicoMetaServer_TS5 costs 69.072 real_cost = -44.964 GeneSilicoMetaServer_TS4-scwrl costs 78.658 real_cost = 42.349 GeneSilicoMetaServer_TS4 costs 78.662 real_cost = 32.461 GeneSilicoMetaServer_TS3-scwrl costs 50.836 real_cost = -43.213 GeneSilicoMetaServer_TS3 costs 50.828 real_cost = -32.665 GeneSilicoMetaServer_TS2-scwrl costs 55.446 real_cost = -1.387 GeneSilicoMetaServer_TS2 costs 55.446 real_cost = -1.356 GeneSilicoMetaServer_TS1-scwrl costs 54.599 real_cost = -67.695 GeneSilicoMetaServer_TS1 costs 54.604 real_cost = -69.252 Frankenstein_TS5-scwrl costs 69.395 real_cost = 162.527 Frankenstein_TS5 costs 69.395 real_cost = 167.187 Frankenstein_TS4-scwrl costs 78.141 real_cost = 174.707 Frankenstein_TS4 costs 78.141 real_cost = 175.561 Frankenstein_TS3-scwrl costs 65.085 real_cost = 147.625 Frankenstein_TS3 costs 65.085 real_cost = 146.654 Frankenstein_TS2-scwrl costs 60.756 real_cost = 33.767 Frankenstein_TS2 costs 60.756 real_cost = 36.739 Frankenstein_TS1-scwrl costs 51.419 real_cost = -172.048 Frankenstein_TS1 costs 51.419 real_cost = -171.698 FUNCTION_TS5-scwrl costs 63.076 real_cost = 9.298 FUNCTION_TS5 costs 63.076 real_cost = 15.384 FUNCTION_TS4-scwrl costs 73.049 real_cost = 35.483 FUNCTION_TS4 costs 73.049 real_cost = 38.575 FUNCTION_TS3-scwrl costs 69.403 real_cost = 21.563 FUNCTION_TS3 costs 69.403 real_cost = 27.745 FUNCTION_TS2-scwrl costs 68.737 real_cost = 11.576 FUNCTION_TS2 costs 68.737 real_cost = 10.357 FUNCTION_TS1-scwrl costs 75.543 real_cost = 21.328 FUNCTION_TS1 costs 75.543 real_cost = 14.402 FUGUE_AL5-scwrl costs 67.579 real_cost = 29.758 FUGUE_AL5 costs 67.590 real_cost = 132.565 FUGUE_AL4-scwrl costs 61.687 real_cost = 22.684 FUGUE_AL4 costs 61.767 real_cost = 134.120 FUGUE_AL3-scwrl costs 64.077 real_cost = -16.627 FUGUE_AL3 costs 64.009 real_cost = 65.831 FUGUE_AL2-scwrl costs 79.373 real_cost = 96.429 FUGUE_AL2 costs 79.228 real_cost = 153.290 FUGUE_AL1-scwrl costs 67.557 real_cost = 43.709 FUGUE_AL1 costs 67.537 real_cost = 139.181 FUGMOD_TS5-scwrl costs 70.336 real_cost = 23.150 FUGMOD_TS5 costs 70.311 real_cost = 37.456 FUGMOD_TS4-scwrl costs 55.783 real_cost = -4.206 FUGMOD_TS4 costs 55.783 real_cost = 1.521 FUGMOD_TS3-scwrl costs 66.511 real_cost = -25.980 FUGMOD_TS3 costs 66.549 real_cost = -29.338 FUGMOD_TS2-scwrl costs 59.048 real_cost = 16.175 FUGMOD_TS2 costs 59.048 real_cost = 18.403 FUGMOD_TS1-scwrl costs 66.227 real_cost = 41.361 FUGMOD_TS1 costs 66.227 real_cost = 39.054 FPSOLVER-SERVER_TS5-scwrl costs 153.648 real_cost = 352.387 FPSOLVER-SERVER_TS5 costs 153.648 real_cost = 355.130 FPSOLVER-SERVER_TS4-scwrl costs 138.640 real_cost = 281.059 FPSOLVER-SERVER_TS4 costs 138.640 real_cost = 278.321 FPSOLVER-SERVER_TS3-scwrl costs 154.982 real_cost = 355.253 FPSOLVER-SERVER_TS3 costs 154.982 real_cost = 355.264 FPSOLVER-SERVER_TS2-scwrl costs 162.936 real_cost = 345.536 FPSOLVER-SERVER_TS2 costs 162.936 real_cost = 345.521 FPSOLVER-SERVER_TS1-scwrl costs 151.552 real_cost = 352.889 FPSOLVER-SERVER_TS1 costs 151.552 real_cost = 352.878 FORTE2_AL5-scwrl costs 56.880 real_cost = -6.538 FORTE2_AL5 costs 56.960 real_cost = 104.604 FORTE2_AL4-scwrl costs 63.539 real_cost = 11.783 FORTE2_AL4 costs 63.520 real_cost = 107.844 FORTE2_AL3-scwrl costs 57.350 real_cost = 10.025 FORTE2_AL3 costs 57.440 real_cost = 86.352 FORTE2_AL2-scwrl costs 66.104 real_cost = 36.638 FORTE2_AL2 costs 66.110 real_cost = 137.355 FORTE2_AL1-scwrl costs 52.856 real_cost = -158.613 FORTE2_AL1 costs 52.920 real_cost = -75.986 FORTE1_AL5-scwrl costs 56.880 real_cost = -6.538 FORTE1_AL5 costs 56.960 real_cost = 104.604 FORTE1_AL4-scwrl costs 63.539 real_cost = 11.783 FORTE1_AL4 costs 63.520 real_cost = 107.844 FORTE1_AL3-scwrl costs 57.350 real_cost = 10.025 FORTE1_AL3 costs 57.440 real_cost = 86.352 FORTE1_AL2-scwrl costs 66.104 real_cost = 36.638 FORTE1_AL2 costs 66.110 real_cost = 137.355 FORTE1_AL1-scwrl costs 52.856 real_cost = -158.613 FORTE1_AL1 costs 52.920 real_cost = -75.986 FOLDpro_TS5-scwrl costs 64.247 real_cost = -70.625 FOLDpro_TS5 costs 64.247 real_cost = -60.774 FOLDpro_TS4-scwrl costs 52.548 real_cost = -32.570 FOLDpro_TS4 costs 52.548 real_cost = -32.237 FOLDpro_TS3-scwrl costs 51.447 real_cost = 4.785 FOLDpro_TS3 costs 51.447 real_cost = 10.517 FOLDpro_TS2-scwrl costs 54.800 real_cost = 82.937 FOLDpro_TS2 costs 54.800 real_cost = 79.721 FOLDpro_TS1-scwrl costs 57.197 real_cost = -46.336 FOLDpro_TS1 costs 57.197 real_cost = -31.519 FAMS_TS5-scwrl costs 49.620 real_cost = -148.698 FAMS_TS5 costs 49.620 real_cost = -144.935 FAMS_TS4-scwrl costs 65.095 real_cost = -106.588 FAMS_TS4 costs 65.090 real_cost = -123.378 FAMS_TS3-scwrl costs 65.095 real_cost = -106.588 FAMS_TS3 costs 65.090 real_cost = -123.378 FAMS_TS2-scwrl costs 57.845 real_cost = -65.135 FAMS_TS2 costs 57.854 real_cost = -69.495 FAMS_TS1-scwrl costs 51.082 real_cost = -171.836 FAMS_TS1 costs 51.082 real_cost = -169.294 FAMSD_TS5-scwrl costs 70.702 real_cost = 10.418 FAMSD_TS5 costs 70.702 real_cost = 23.372 FAMSD_TS4-scwrl costs 66.423 real_cost = 18.501 FAMSD_TS4 costs 66.423 real_cost = 24.747 FAMSD_TS3-scwrl costs 65.095 real_cost = -106.588 FAMSD_TS3 costs 65.090 real_cost = -123.378 FAMSD_TS2-scwrl costs 52.049 real_cost = -102.001 FAMSD_TS2 costs 52.048 real_cost = -112.596 FAMSD_TS1-scwrl costs 55.134 real_cost = -161.215 FAMSD_TS1 costs 55.134 real_cost = -154.825 Distill_TS5-scwrl costs 235.577 real_cost = 383.096 Distill_TS4-scwrl costs 235.551 real_cost = 374.667 Distill_TS3-scwrl costs 235.303 real_cost = 359.720 Distill_TS2-scwrl costs 235.469 real_cost = 341.197 Distill_TS1-scwrl costs 235.390 real_cost = 375.169 CaspIta-FOX_TS5-scwrl costs 61.470 real_cost = -14.439 CaspIta-FOX_TS5 costs 61.470 real_cost = -10.079 CaspIta-FOX_TS4-scwrl costs 63.403 real_cost = 24.897 CaspIta-FOX_TS4 costs 63.403 real_cost = 21.873 CaspIta-FOX_TS3-scwrl costs 68.182 real_cost = 13.030 CaspIta-FOX_TS3 costs 68.204 real_cost = 3.787 CaspIta-FOX_TS2-scwrl costs 60.250 real_cost = 36.283 CaspIta-FOX_TS2 costs 60.253 real_cost = 34.261 CaspIta-FOX_TS1-scwrl costs 53.414 real_cost = -126.385 CaspIta-FOX_TS1 costs 53.402 real_cost = -131.771 CPHmodels_TS1-scwrl costs 78.650 real_cost = 43.811 CPHmodels_TS1 costs 78.621 real_cost = 36.481 CIRCLE_TS5-scwrl costs 61.121 real_cost = -132.398 CIRCLE_TS5 costs 61.131 real_cost = -132.934 CIRCLE_TS4-scwrl costs 65.095 real_cost = -106.588 CIRCLE_TS4 costs 65.090 real_cost = -123.378 CIRCLE_TS3-scwrl costs 57.845 real_cost = -65.135 CIRCLE_TS3 costs 57.854 real_cost = -69.495 CIRCLE_TS2-scwrl costs 49.620 real_cost = -148.698 CIRCLE_TS2 costs 49.620 real_cost = -144.935 CIRCLE_TS1-scwrl costs 53.693 real_cost = -165.209 CIRCLE_TS1 costs 53.693 real_cost = -162.458 Bilab-ENABLE_TS5-scwrl costs 67.581 real_cost = -50.159 Bilab-ENABLE_TS5 costs 67.581 real_cost = -50.172 Bilab-ENABLE_TS4-scwrl costs 52.506 real_cost = -77.474 Bilab-ENABLE_TS4 costs 52.506 real_cost = -77.103 Bilab-ENABLE_TS3-scwrl costs 50.494 real_cost = -187.084 Bilab-ENABLE_TS3 costs 50.494 real_cost = -187.084 Bilab-ENABLE_TS2-scwrl costs 51.616 real_cost = -184.087 Bilab-ENABLE_TS2 costs 51.616 real_cost = -184.087 Bilab-ENABLE_TS1-scwrl costs 56.480 real_cost = -161.103 Bilab-ENABLE_TS1 costs 56.480 real_cost = -161.103 BayesHH_TS1-scwrl costs 50.591 real_cost = -182.118 BayesHH_TS1 costs 50.591 real_cost = -181.830 ABIpro_TS5-scwrl costs 91.651 real_cost = 315.419 ABIpro_TS5 costs 91.651 real_cost = 314.098 ABIpro_TS4-scwrl costs 104.998 real_cost = 274.443 ABIpro_TS4 costs 104.998 real_cost = 273.901 ABIpro_TS3-scwrl costs 96.944 real_cost = 263.192 ABIpro_TS3 costs 96.944 real_cost = 263.192 ABIpro_TS2-scwrl costs 90.507 real_cost = 279.602 ABIpro_TS2 costs 90.507 real_cost = 279.602 ABIpro_TS1-scwrl costs 81.969 real_cost = 269.433 ABIpro_TS1 costs 81.969 real_cost = 269.433 3Dpro_TS5-scwrl costs 59.104 real_cost = -92.400 3Dpro_TS5 costs 59.104 real_cost = -97.923 3Dpro_TS4-scwrl costs 60.975 real_cost = 4.057 3Dpro_TS4 costs 60.975 real_cost = 10.623 3Dpro_TS3-scwrl costs 59.499 real_cost = -26.697 3Dpro_TS3 costs 59.499 real_cost = -27.839 3Dpro_TS2-scwrl costs 69.140 real_cost = 25.832 3Dpro_TS2 costs 69.140 real_cost = 33.761 3Dpro_TS1-scwrl costs 58.267 real_cost = -24.586 3Dpro_TS1 costs 58.267 real_cost = -6.969 3D-JIGSAW_TS5-scwrl costs 65.595 real_cost = 134.796 3D-JIGSAW_TS5 costs 65.589 real_cost = 147.516 3D-JIGSAW_TS4-scwrl costs 69.811 real_cost = 131.484 3D-JIGSAW_TS4 costs 69.806 real_cost = 149.908 3D-JIGSAW_TS3-scwrl costs 75.105 real_cost = 128.703 3D-JIGSAW_TS3 costs 75.192 real_cost = 138.323 3D-JIGSAW_TS2-scwrl costs 66.958 real_cost = 54.133 3D-JIGSAW_TS2 costs 66.958 real_cost = 58.917 3D-JIGSAW_TS1-scwrl costs 67.035 real_cost = 106.886 3D-JIGSAW_TS1 costs 67.018 real_cost = 117.086 3D-JIGSAW_RECOM_TS5-scwrl costs 73.157 real_cost = 107.544 3D-JIGSAW_RECOM_TS5 costs 73.167 real_cost = 106.586 3D-JIGSAW_RECOM_TS4-scwrl costs 68.367 real_cost = 118.678 3D-JIGSAW_RECOM_TS4 costs 68.377 real_cost = 122.632 3D-JIGSAW_RECOM_TS3-scwrl costs 69.913 real_cost = 121.457 3D-JIGSAW_RECOM_TS3 costs 69.923 real_cost = 122.357 3D-JIGSAW_RECOM_TS2-scwrl costs 69.960 real_cost = 119.966 3D-JIGSAW_RECOM_TS2 costs 69.970 real_cost = 114.425 3D-JIGSAW_RECOM_TS1-scwrl costs 71.231 real_cost = 114.020 3D-JIGSAW_RECOM_TS1 costs 71.241 real_cost = 134.457 3D-JIGSAW_POPULUS_TS5-scwrl costs 70.295 real_cost = 34.870 3D-JIGSAW_POPULUS_TS5 costs 70.295 real_cost = 34.870 3D-JIGSAW_POPULUS_TS4-scwrl costs 68.043 real_cost = 31.553 3D-JIGSAW_POPULUS_TS4 costs 68.043 real_cost = 31.553 3D-JIGSAW_POPULUS_TS3-scwrl costs 73.461 real_cost = 136.339 3D-JIGSAW_POPULUS_TS3 costs 73.461 real_cost = 136.339 3D-JIGSAW_POPULUS_TS2-scwrl costs 68.009 real_cost = 25.102 3D-JIGSAW_POPULUS_TS2 costs 68.009 real_cost = 25.102 3D-JIGSAW_POPULUS_TS1-scwrl costs 74.945 real_cost = 24.236 3D-JIGSAW_POPULUS_TS1 costs 74.945 real_cost = 24.236 tr380.repack-nonPC.pdb.gz costs 41.276 real_cost = -261.852 tr380.pdb.gz costs 41.276 real_cost = -261.812 tr380.gromacs0.repack-nonPC.pdb.gz costs 40.194 real_cost = -265.071 tr380.gromacs0.pdb.gz costs 40.194 real_cost = -264.892 chimera-4-8.pdb.gz costs 56.970 real_cost = -126.775 chimera-4-6.pdb.gz costs 59.497 real_cost = -52.330 T0380.try9-opt2.repack-nonPC.pdb.gz costs 53.881 real_cost = -140.844 T0380.try9-opt2.pdb.gz costs 53.881 real_cost = -137.540 T0380.try9-opt2.gromacs0.repack-nonPC.pdb.gz costs 39.089 real_cost = -137.873 T0380.try9-opt2.gromacs0.pdb.gz costs 39.089 real_cost = -135.306 T0380.try9-opt1.pdb.gz costs 53.038 real_cost = -136.015 T0380.try9-opt1-scwrl.pdb.gz costs 53.038 real_cost = -137.462 T0380.try8-opt2.repack-nonPC.pdb.gz costs 56.192 real_cost = -57.842 T0380.try8-opt2.pdb.gz costs 56.192 real_cost = -56.057 T0380.try8-opt2.gromacs0.repack-nonPC.pdb.gz costs 43.097 real_cost = -63.577 T0380.try8-opt2.gromacs0.pdb.gz costs 43.097 real_cost = -58.574 T0380.try8-opt1.pdb.gz costs 59.039 real_cost = -54.027 T0380.try8-opt1-scwrl.pdb.gz costs 59.039 real_cost = -51.598 T0380.try7-opt2.repack-nonPC.pdb.gz costs 56.307 real_cost = -74.179 T0380.try7-opt2.pdb.gz costs 56.307 real_cost = -67.570 T0380.try7-opt2.gromacs0.repack-nonPC.pdb.gz costs 44.426 real_cost = -68.583 T0380.try7-opt2.gromacs0.pdb.gz costs 44.426 real_cost = -65.379 T0380.try7-opt1.pdb.gz costs 53.058 real_cost = -69.064 T0380.try7-opt1-scwrl.pdb.gz costs 53.058 real_cost = -72.009 T0380.try6-opt2.repack-nonPC.pdb.gz costs 61.169 real_cost = -5.253 T0380.try6-opt2.pdb.gz costs 61.169 real_cost = -4.287 T0380.try6-opt2.gromacs0.repack-nonPC.pdb.gz costs 50.824 real_cost = -9.011 T0380.try6-opt2.gromacs0.pdb.gz costs 50.824 real_cost = -4.813 T0380.try6-opt1.pdb.gz costs 61.574 real_cost = -3.632 T0380.try6-opt1-scwrl.pdb.gz costs 61.574 real_cost = -2.495 T0380.try5-opt2.repack-nonPC.pdb.gz costs 56.815 real_cost = -191.827 T0380.try5-opt2.pdb.gz costs 56.815 real_cost = -194.222 T0380.try5-opt2.gromacs0.repack-nonPC.pdb.gz costs 45.750 real_cost = -190.874 T0380.try5-opt2.gromacs0.pdb.gz costs 45.750 real_cost = -190.564 T0380.try5-opt1.pdb.gz costs 55.174 real_cost = -188.136 T0380.try5-opt1-scwrl.pdb.gz costs 55.174 real_cost = -183.470 T0380.try4-opt2.repack-nonPC.pdb.gz costs 61.438 real_cost = -188.899 T0380.try4-opt2.pdb.gz costs 61.438 real_cost = -182.303 T0380.try4-opt2.gromacs0.repack-nonPC.pdb.gz costs 44.765 real_cost = -184.979 T0380.try4-opt2.gromacs0.pdb.gz costs 44.765 real_cost = -178.558 T0380.try4-opt1.pdb.gz costs 61.438 real_cost = -181.829 T0380.try4-opt1-scwrl.pdb.gz costs 61.438 real_cost = -183.805 T0380.try3-opt2.repack-nonPC.pdb.gz costs 63.128 real_cost = -186.002 T0380.try3-opt2.pdb.gz costs 63.128 real_cost = -181.171 T0380.try3-opt2.gromacs0.repack-nonPC.pdb.gz costs 44.821 real_cost = -182.756 T0380.try3-opt2.gromacs0.pdb.gz costs 44.821 real_cost = -176.190 T0380.try3-opt1.pdb.gz costs 63.128 real_cost = -180.891 T0380.try3-opt1-scwrl.pdb.gz costs 63.128 real_cost = -182.801 T0380.try2-opt2.repack-nonPC.pdb.gz costs 63.058 real_cost = -187.364 T0380.try2-opt2.pdb.gz costs 63.058 real_cost = -181.217 T0380.try2-opt2.gromacs0.repack-nonPC.pdb.gz costs 44.766 real_cost = -186.684 T0380.try2-opt2.gromacs0.pdb.gz costs 44.766 real_cost = -176.002 T0380.try2-opt1.pdb.gz costs 60.637 real_cost = -184.379 T0380.try2-opt1-scwrl.pdb.gz costs 60.637 real_cost = -180.948 T0380.try10-opt2.repack-nonPC.pdb.gz costs 51.139 real_cost = -269.867 T0380.try10-opt2.pdb.gz costs 51.139 real_cost = -268.953 T0380.try10-opt2.gromacs0.repack-nonPC.pdb.gz costs 41.175 real_cost = -268.570 T0380.try10-opt2.gromacs0.pdb.gz costs 41.175 real_cost = -268.173 T0380.try10-opt1.pdb.gz costs 48.137 real_cost = -267.689 T0380.try10-opt1-scwrl.pdb.gz costs 48.137 real_cost = -268.114 T0380.try1-opt2.repack-nonPC.pdb.gz costs 60.495 real_cost = -188.129 T0380.try1-opt2.pdb.gz costs 60.495 real_cost = -182.999 T0380.try1-opt2.gromacs0.repack-nonPC.pdb.gz costs 44.439 real_cost = -185.218 T0380.try1-opt2.gromacs0.pdb.gz costs 44.439 real_cost = -182.581 T0380.try1-opt1.pdb.gz costs 59.144 real_cost = -184.133 T0380.try1-opt1-scwrl.pdb.gz costs 59.144 real_cost = -182.193 ../model5.ts-submitted costs 69.593 real_cost = -74.032 ../model4.ts-submitted costs 63.128 real_cost = -181.002 ../model3.ts-submitted costs 52.087 real_cost = -137.532 ../model2.ts-submitted costs 45.750 real_cost = -190.873 ../model1.ts-submitted costs 60.724 real_cost = -182.317 align5 costs 88.468 real_cost = 55.012 align4 costs 74.975 real_cost = 11.833 align3 costs 67.080 real_cost = 44.616 align2 costs 63.258 real_cost = -22.779 align1 costs 66.224 real_cost = -93.246 T0380.try1-opt2.pdb costs 60.495 real_cost = -182.999 model5-scwrl costs 69.695 real_cost = 2.307 model5.ts-submitted costs 69.593 real_cost = -74.032 model4-scwrl costs 63.128 real_cost = -182.195 model4.ts-submitted costs 63.128 real_cost = -181.002 model3-scwrl costs 52.087 real_cost = -140.039 model3.ts-submitted costs 52.087 real_cost = -137.532 model2-scwrl costs 45.750 real_cost = -181.579 model2.ts-submitted costs 45.750 real_cost = -190.873 model1-scwrl costs 61.438 real_cost = -182.874 model1.ts-submitted costs 60.724 real_cost = -182.317 2hq7A costs 44.596 real_cost = -882.600 # command:CPU_time= 703.356 sec, elapsed time= 1540.814 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/T0380'