make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0331' /projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0331.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/T0331.} ;\ 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/T0331/ -e s/START_COL/1/ \ -e s/COSTFCN/anglevector/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2hhzA/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1183553152 # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/atoms-inputs/ # command:# reading monomeric-50pc.atoms # #computed average backbone with maximum peptide_sq_deviance = 0.002 # computed average trans backbone unit from 8101 examples # computed average cis backbone unit from 20 examples # computed average trans backbone unit before proline from 332 examples # trans (non-proline) backbone unit: # CA= -2.2101 1.0129 -0.0033 # O= -0.1508 2.2440 0.0016 # C= -0.6897 1.1364 -0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4583 -0.0000 -0.0000 # cis backbone unit: # CA= -0.1438 2.4522 0.0007 # O= -2.0283 0.9702 0.0005 # C= -0.8017 1.0759 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4664 -0.0000 0.0000 # trans backbone unit before proline: # CA= -2.2110 1.0636 -0.0014 # O= -0.1234 2.2469 0.0075 # C= -0.6877 1.1518 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4665 0.0000 0.0000 # After reading monomeric-50pc.atoms have 448 chains in training database # Count of chains,residues,atoms: 448,112605,876684 # 111048 residues have no bad marker # 665 residues lack atoms needed to compute omega # 322 residues have cis peptide # number of each bad type: # NON_STANDARD_RESIDUE 6 # HAS_OXT 325 # TOO_MANY_ATOMS 1 # TOO_FEW_ATOMS 523 # HAS_UNKNOWN_ATOMS 2 # HAS_DUPLICATE_ATOMS 0 # CHAIN_BREAK_BEFORE 208 # NON_PLANAR_PEPTIDE 143 # BAD_PEPTIDE 685 # Note: may sum to more than number of residues, # because one residue may have multiple problems # command:# Reading rotamer library from dunbrack-1332.rot # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # command:# ReadAtomType exp-pdb.types Read AtomType exp-pdb with 49 types. # command:# ReadClashTable exp-pdb-2191-2symm.clash # Read ClashTable exp-pdb-2191-2symm checking bonds symmetric at MaxSep 2 # command:# command:CPU_time= 6.984 sec, elapsed time= 7.038 sec. # command:# Reading spots from monomeric-50pc-dry-5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-5.hist # created burial cost function dry5 with radius 5.000 with spots at monomeric-50pc-dry-5.spot # command:# Reading spots from monomeric-50pc-wet-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-wet-6.5.hist # created burial cost function wet6.5 with radius 6.500 with spots at monomeric-50pc-wet-6.5.spot # command:# Reading spots from monomeric-50pc-dry-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-6.5.hist # created burial cost function dry6.5 with radius 6.500 with spots at monomeric-50pc-dry-6.5.spot # command:# Reading spots from monomeric-50pc-generic-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-generic-6.5.hist # created burial cost function gen6.5 with radius 6.500 with spots at monomeric-50pc-generic-6.5.spot # command:# Reading spots from near-backbone-center.spot # reading histogram from smoothed-near-backbone-2spot.hist # Reading spots from near-backbone-count.spot # created burial cost function near_backbone with radius 9.650 with spots at near-backbone-center.spot counting only near-backbone-count.spot # command:# Reading spots from way-back-center.spot # reading histogram from smoothed-way-back-2spot.hist # Reading spots from way-back-count.spot # created burial cost function way_back with radius 8.900 with spots at way-back-center.spot counting only way-back-count.spot # command:# Reading spots from monomeric-50pc-dry-8.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-8.hist # created burial cost function dry8 with radius 8.000 with spots at monomeric-50pc-dry-8.spot # command:# Reading spots from monomeric-50pc-dry-10.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-10.hist # created burial cost function dry10 with radius 10.000 with spots at monomeric-50pc-dry-10.spot # command:# Reading spots from monomeric-50pc-dry-12.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-12.hist # created burial cost function dry12 with radius 12.000 with spots at monomeric-50pc-dry-12.spot # command:# reading histogram from dunbrack-2191-alpha.hist # created alpha cost function alpha with offset 0 and 360 bins # command:# reading histogram from dunbrack-2191-alpha-1.hist # created alpha cost function alpha_prev with offset -1 and 360 bins # command:# Prefix for input files set to /projects/compbio/lib/alphabet/ # command:# Read 3 alphabets from alpha.alphabet # command:CPU_time= 7.063 sec, elapsed time= 7.147 sec. # command:# Prefix for input files set to # command:# Making conformation for sequence T0331 numbered 1 through 149 Created new target T0331 from T0331.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2hhzA expands to /projects/compbio/data/pdb/2hhz.pdb.gz 2hhzA: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 271, because occupancy 0.5 <= existing 0.500 in 2hhzA Skipped atom 275, because occupancy 0.500 <= existing 0.500 in 2hhzA Skipped atom 277, because occupancy 0.500 <= existing 0.500 in 2hhzA Skipped atom 279, because occupancy 0.500 <= existing 0.500 in 2hhzA 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 510, because occupancy 0.500 <= existing 0.500 in 2hhzA Skipped atom 514, because occupancy 0.500 <= existing 0.500 in 2hhzA Skipped atom 516, because occupancy 0.500 <= existing 0.500 in 2hhzA Skipped atom 518, because occupancy 0.500 <= existing 0.500 in 2hhzA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Read 139 residues and 1101 atoms. # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # command:# Saving current conformation as real # command:# Prefix for output files set to decoys/ # command:# SetRealCost created real_cost = # ( 50.000 * real_hbond + 50.000 * real_hbond_u + 50.000 * decoy_hbond + 50.000 * decoy_hbond_u + 10.000 * real_NO_hbond + 10.000 * real_NO_hbond_u + 10.000 * decoy_NO_hbond + 10.000 * decoy_NO_hbond_u + 10.000 * knot + 200.000 * clens + 0.000 * rmsd + 35.000 * log_rmsd + 0.000 * rmsd_ca + 30.000 * log_rmsd_ca + 1.000 * GDT + 1.000 * smooth_GDT + 0.200 * missing_atoms ) # command:# SetCost created cost = # ) # command:# reading script from file anglevector.costfcn # Prefix for input files set to /projects/compbio/lib/alphabet/ # Read 2 alphabets from anglevector.alphabet # Prefix for input files set to # CreateCombinedNNet created CombinedNNet bys_t2k # CreateCombinedNNet created CombinedNNet bys_t04 # CreateCombinedNNet created CombinedNNet bys_t06 # CreateCombinedNNet created CombinedNNet bys_mean # created predicted AngleVectorPredCostFcn pred_bys_t2k # created predicted AngleVectorPredCostFcn pred_bys_t04 # created predicted AngleVectorPredCostFcn pred_bys_t06 # created predicted AngleVectorPredCostFcn pred_bys_mean # CreateCombinedNNet created CombinedNNet pb_t2k # CreateCombinedNNet created CombinedNNet pb_t04 # CreateCombinedNNet created CombinedNNet pb_t06 # CreateCombinedNNet created CombinedNNet pb_mean # created predicted AngleVectorPredCostFcn pred_pb_t2k # created predicted AngleVectorPredCostFcn pred_pb_t04 # created predicted AngleVectorPredCostFcn pred_pb_t06 # created predicted AngleVectorPredCostFcn pred_pb_mean # SetCost created cost = # ( 5.000 * bystroff + 5.000 * pred_bys_t2k + 5.000 * pred_bys_t04 + 5.000 * pred_bys_t06 + 5.000 * pred_bys_mean + 5.000 * pred_pb_t2k + 5.000 * pred_pb_t04 + 5.000 * pred_pb_t06 + 5.000 * pred_pb_mean ) # command:CPU_time= 9.991 sec, elapsed time= 10.265 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 = -67.266 # GDT_score(maxd=8.000,maxw=2.900)= -69.250 # GDT_score(maxd=8.000,maxw=3.200)= -66.480 # GDT_score(maxd=8.000,maxw=3.500)= -63.575 # GDT_score(maxd=10.000,maxw=3.800)= -66.330 # GDT_score(maxd=10.000,maxw=4.000)= -64.383 # GDT_score(maxd=10.000,maxw=4.200)= -62.451 # GDT_score(maxd=12.000,maxw=4.300)= -66.139 # GDT_score(maxd=12.000,maxw=4.500)= -64.230 # GDT_score(maxd=12.000,maxw=4.700)= -62.353 # GDT_score(maxd=14.000,maxw=5.200)= -61.566 # GDT_score(maxd=14.000,maxw=5.500)= -59.032 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0331.model1-real.pdb for output Error: Couldn't open file T0331.model1-real.pdb for output superimposing iter= 0 total_weight= 1656.000 rmsd (weighted)= 5.676 (unweighted)= 15.884 superimposing iter= 1 total_weight= 4155.723 rmsd (weighted)= 2.528 (unweighted)= 16.114 superimposing iter= 2 total_weight= 2141.034 rmsd (weighted)= 1.710 (unweighted)= 16.227 superimposing iter= 3 total_weight= 1520.897 rmsd (weighted)= 1.421 (unweighted)= 16.271 superimposing iter= 4 total_weight= 1240.816 rmsd (weighted)= 1.318 (unweighted)= 16.292 superimposing iter= 5 total_weight= 1182.705 rmsd (weighted)= 1.254 (unweighted)= 16.307 EXPDTA model1.ts-submitted MODEL 1 REMARK 44 REMARK 44 model 1 is called model1.ts-submitted ATOM 1 N MET A 1 13.858 31.711 8.916 1.00 0.00 ATOM 2 CA MET A 1 14.983 32.603 9.315 1.00 0.00 ATOM 3 CB MET A 1 14.450 33.989 9.688 1.00 0.00 ATOM 4 CG MET A 1 15.536 35.024 9.919 1.00 0.00 ATOM 5 SD MET A 1 14.919 36.585 10.577 1.00 0.00 ATOM 6 CE MET A 1 13.983 37.216 9.181 1.00 0.00 ATOM 7 O MET A 1 15.079 31.532 11.457 1.00 0.00 ATOM 8 C MET A 1 15.712 32.000 10.511 1.00 0.00 ATOM 9 N GLU A 2 17.054 31.988 10.437 1.00 0.00 ATOM 10 CA GLU A 2 17.829 31.427 11.544 1.00 0.00 ATOM 11 CB GLU A 2 19.318 31.399 11.249 1.00 0.00 ATOM 12 CG GLU A 2 19.774 30.557 10.063 1.00 0.00 ATOM 13 CD GLU A 2 19.365 30.954 8.635 1.00 0.00 ATOM 14 OE1 GLU A 2 18.680 31.979 8.376 1.00 0.00 ATOM 15 OE2 GLU A 2 19.590 30.049 7.835 1.00 0.00 ATOM 16 O GLU A 2 17.530 31.627 13.917 1.00 0.00 ATOM 17 C GLU A 2 17.591 32.210 12.822 1.00 0.00 ATOM 18 N LEU A 3 17.460 33.533 12.713 1.00 0.00 ATOM 19 CA LEU A 3 17.065 34.338 13.875 1.00 0.00 ATOM 20 CB LEU A 3 17.094 35.813 13.522 1.00 0.00 ATOM 21 CG LEU A 3 16.869 36.821 14.650 1.00 0.00 ATOM 22 CD1 LEU A 3 18.001 36.729 15.669 1.00 0.00 ATOM 23 CD2 LEU A 3 16.796 38.229 14.062 1.00 0.00 ATOM 24 O LEU A 3 15.471 33.899 15.624 1.00 0.00 ATOM 25 C LEU A 3 15.691 33.921 14.414 1.00 0.00 ATOM 26 N LYS A 4 14.774 33.583 13.501 1.00 0.00 ATOM 27 CA LYS A 4 13.443 33.146 13.910 1.00 0.00 ATOM 28 CB LYS A 4 12.513 32.915 12.810 1.00 0.00 ATOM 29 CG LYS A 4 12.047 34.231 12.208 1.00 0.00 ATOM 30 CD LYS A 4 11.061 34.038 11.070 1.00 0.00 ATOM 31 CE LYS A 4 10.631 35.389 10.507 1.00 0.00 ATOM 32 NZ LYS A 4 9.789 35.254 9.280 1.00 0.00 ATOM 33 O LYS A 4 12.863 31.609 15.655 1.00 0.00 ATOM 34 C LYS A 4 13.536 31.815 14.644 1.00 0.00 ATOM 35 N ASP A 5 14.359 30.959 14.129 1.00 0.00 ATOM 36 CA ASP A 5 14.581 29.659 14.751 1.00 0.00 ATOM 37 CB ASP A 5 15.568 28.816 13.935 1.00 0.00 ATOM 38 CG ASP A 5 15.030 28.444 12.565 1.00 0.00 ATOM 39 OD1 ASP A 5 13.819 28.163 12.449 1.00 0.00 ATOM 40 OD2 ASP A 5 15.832 28.414 11.606 1.00 0.00 ATOM 41 O ASP A 5 14.810 29.060 17.060 1.00 0.00 ATOM 42 C ASP A 5 15.133 29.836 16.160 1.00 0.00 ATOM 43 N ILE A 6 15.971 30.849 16.340 1.00 0.00 ATOM 44 CA ILE A 6 16.562 31.118 17.643 1.00 0.00 ATOM 45 CB ILE A 6 17.672 32.194 17.508 1.00 0.00 ATOM 46 CG1 ILE A 6 18.933 31.556 16.913 1.00 0.00 ATOM 47 CG2 ILE A 6 17.955 32.844 18.858 1.00 0.00 ATOM 48 CD1 ILE A 6 20.013 32.553 16.537 1.00 0.00 ATOM 49 O ILE A 6 15.464 31.059 19.770 1.00 0.00 ATOM 50 C ILE A 6 15.478 31.528 18.635 1.00 0.00 ATOM 51 N MET A 7 14.549 32.379 18.200 1.00 0.00 ATOM 52 CA MET A 7 13.464 32.810 19.066 1.00 0.00 ATOM 53 CB MET A 7 12.743 33.978 18.374 1.00 0.00 ATOM 54 CG MET A 7 13.637 35.205 18.164 1.00 0.00 ATOM 55 SD MET A 7 14.182 36.008 19.711 1.00 0.00 ATOM 56 CE MET A 7 15.875 35.452 19.726 1.00 0.00 ATOM 57 O MET A 7 12.088 31.524 20.534 1.00 0.00 ATOM 58 C MET A 7 12.471 31.681 19.378 1.00 0.00 ATOM 59 N HIS A 8 12.310 30.779 18.407 1.00 0.00 ATOM 60 CA HIS A 8 11.505 29.532 18.479 1.00 0.00 ATOM 61 CB HIS A 8 11.579 28.789 17.141 1.00 0.00 ATOM 62 CG HIS A 8 10.431 27.816 16.879 1.00 0.00 ATOM 63 CD2 HIS A 8 10.279 26.583 17.363 1.00 0.00 ATOM 64 ND1 HIS A 8 9.333 28.135 16.211 1.00 0.00 ATOM 65 CE1 HIS A 8 8.469 27.136 16.330 1.00 0.00 ATOM 66 NE2 HIS A 8 9.054 26.173 17.029 1.00 0.00 ATOM 67 O HIS A 8 11.456 28.021 20.346 1.00 0.00 ATOM 68 C HIS A 8 12.146 28.617 19.524 1.00 0.00 ATOM 69 N ILE A 9 13.469 28.496 19.506 1.00 0.00 ATOM 70 CA ILE A 9 14.172 27.680 20.502 1.00 0.00 ATOM 71 CB ILE A 9 15.661 27.562 20.130 1.00 0.00 ATOM 72 CG1 ILE A 9 15.819 26.658 18.896 1.00 0.00 ATOM 73 CG2 ILE A 9 16.450 26.946 21.293 1.00 0.00 ATOM 74 CD1 ILE A 9 17.211 26.798 18.269 1.00 0.00 ATOM 75 O ILE A 9 13.763 27.505 22.851 1.00 0.00 ATOM 76 C ILE A 9 13.944 28.252 21.904 1.00 0.00 ATOM 77 N LEU A 10 13.999 29.573 21.998 1.00 0.00 ATOM 78 CA LEU A 10 13.749 30.288 23.263 1.00 0.00 ATOM 79 CB LEU A 10 14.033 31.780 23.105 1.00 0.00 ATOM 80 CG LEU A 10 15.498 32.114 22.846 1.00 0.00 ATOM 81 CD1 LEU A 10 15.584 33.616 22.647 1.00 0.00 ATOM 82 CD2 LEU A 10 16.391 31.697 24.013 1.00 0.00 ATOM 83 O LEU A 10 12.109 30.067 24.986 1.00 0.00 ATOM 84 C LEU A 10 12.322 30.098 23.783 1.00 0.00 ATOM 85 N GLU A 11 11.352 30.058 22.879 1.00 0.00 ATOM 86 CA GLU A 11 9.956 29.756 23.246 1.00 0.00 ATOM 87 CB GLU A 11 9.018 29.832 22.096 1.00 0.00 ATOM 88 CG GLU A 11 8.861 31.266 21.604 1.00 0.00 ATOM 89 CD GLU A 11 7.951 31.345 20.353 1.00 0.00 ATOM 90 OE1 GLU A 11 7.379 30.318 19.924 1.00 0.00 ATOM 91 OE2 GLU A 11 7.863 32.465 19.817 1.00 0.00 ATOM 92 O GLU A 11 9.309 28.115 24.875 1.00 0.00 ATOM 93 C GLU A 11 9.878 28.324 23.788 1.00 0.00 ATOM 94 N ASP A 12 10.472 27.407 23.073 1.00 0.00 ATOM 95 CA ASP A 12 10.504 26.015 23.528 1.00 0.00 ATOM 96 CB ASP A 12 11.134 25.122 22.458 1.00 0.00 ATOM 97 CG ASP A 12 10.340 25.030 21.142 1.00 0.00 ATOM 98 OD1 ASP A 12 9.187 25.529 21.087 1.00 0.00 ATOM 99 OD2 ASP A 12 10.925 24.500 20.178 1.00 0.00 ATOM 100 O ASP A 12 10.862 25.197 25.743 1.00 0.00 ATOM 101 C ASP A 12 11.284 25.879 24.840 1.00 0.00 ATOM 102 N MET A 13 12.376 26.607 25.004 1.00 0.00 ATOM 103 CA MET A 13 13.193 26.486 26.213 1.00 0.00 ATOM 104 CB MET A 13 14.676 26.620 25.850 1.00 0.00 ATOM 105 CG MET A 13 15.205 25.562 24.905 1.00 0.00 ATOM 106 SD MET A 13 15.247 23.940 25.672 1.00 0.00 ATOM 107 CE MET A 13 16.582 24.171 26.862 1.00 0.00 ATOM 108 O MET A 13 12.532 28.707 26.952 1.00 0.00 ATOM 109 C MET A 13 12.844 27.560 27.234 1.00 0.00 ATOM 110 N LYS A 14 12.992 27.193 28.483 1.00 0.00 ATOM 111 CA LYS A 14 12.788 28.140 29.581 1.00 0.00 ATOM 112 CB LYS A 14 11.918 27.454 30.643 1.00 0.00 ATOM 113 CG LYS A 14 10.717 26.733 30.021 1.00 0.00 ATOM 114 CD LYS A 14 10.070 25.757 31.002 1.00 0.00 ATOM 115 CE LYS A 14 9.455 26.436 32.230 1.00 0.00 ATOM 116 NZ LYS A 14 8.455 27.412 31.808 1.00 0.00 ATOM 117 O LYS A 14 14.115 29.236 31.209 1.00 0.00 ATOM 118 C LYS A 14 14.115 28.529 30.218 1.00 0.00 ATOM 119 N VAL A 15 15.203 27.939 29.590 1.00 0.00 ATOM 120 CA VAL A 15 16.537 28.099 30.189 1.00 0.00 ATOM 121 CB VAL A 15 17.036 26.779 30.862 1.00 0.00 ATOM 122 CG1 VAL A 15 16.133 26.423 32.037 1.00 0.00 ATOM 123 CG2 VAL A 15 17.025 25.625 29.864 1.00 0.00 ATOM 124 O VAL A 15 17.554 27.857 28.003 1.00 0.00 ATOM 125 C VAL A 15 17.565 28.424 29.089 1.00 0.00 ATOM 126 N GLY A 16 18.589 29.145 29.549 1.00 0.00 ATOM 127 CA GLY A 16 19.765 29.504 28.742 1.00 0.00 ATOM 128 O GLY A 16 20.864 30.315 30.726 1.00 0.00 ATOM 129 C GLY A 16 20.976 29.732 29.645 1.00 0.00 ATOM 130 N VAL A 17 22.112 29.214 29.201 1.00 0.00 ATOM 131 CA VAL A 17 23.390 29.439 29.900 1.00 0.00 ATOM 132 CB VAL A 17 24.415 28.308 29.582 1.00 0.00 ATOM 133 CG1 VAL A 17 25.726 28.549 30.326 1.00 0.00 ATOM 134 CG2 VAL A 17 23.827 26.949 29.955 1.00 0.00 ATOM 135 O VAL A 17 23.850 31.203 28.317 1.00 0.00 ATOM 136 C VAL A 17 23.853 30.841 29.501 1.00 0.00 ATOM 137 N PHE A 18 24.138 31.688 30.541 1.00 0.00 ATOM 138 CA PHE A 18 24.722 33.025 30.365 1.00 0.00 ATOM 139 CB PHE A 18 23.995 34.071 31.224 1.00 0.00 ATOM 140 CG PHE A 18 22.561 34.367 30.800 1.00 0.00 ATOM 141 CD1 PHE A 18 21.504 34.040 31.621 1.00 0.00 ATOM 142 CD2 PHE A 18 22.282 34.982 29.595 1.00 0.00 ATOM 143 CE1 PHE A 18 20.171 34.338 31.240 1.00 0.00 ATOM 144 CE2 PHE A 18 20.968 35.272 29.214 1.00 0.00 ATOM 145 CZ PHE A 18 19.921 34.936 30.042 1.00 0.00 ATOM 146 O PHE A 18 26.479 32.423 31.900 1.00 0.00 ATOM 147 C PHE A 18 26.163 33.003 30.854 1.00 0.00 ATOM 148 N ALA A 19 27.009 33.370 29.908 1.00 0.00 ATOM 149 CA ALA A 19 28.448 33.458 30.143 1.00 0.00 ATOM 150 CB ALA A 19 29.146 32.681 29.052 1.00 0.00 ATOM 151 O ALA A 19 28.534 35.703 29.257 1.00 0.00 ATOM 152 C ALA A 19 28.881 34.922 30.148 1.00 0.00 ATOM 153 N THR A 20 29.515 35.237 31.271 1.00 0.00 ATOM 154 CA THR A 20 30.104 36.548 31.576 1.00 0.00 ATOM 155 CB THR A 20 29.406 37.206 32.774 1.00 0.00 ATOM 156 CG2 THR A 20 28.057 37.791 32.396 1.00 0.00 ATOM 157 OG1 THR A 20 29.171 36.254 33.812 1.00 0.00 ATOM 158 O THR A 20 32.106 35.264 31.956 1.00 0.00 ATOM 159 C THR A 20 31.596 36.380 31.868 1.00 0.00 ATOM 160 N LEU A 21 32.290 37.505 31.809 1.00 0.00 ATOM 161 CA LEU A 21 33.754 37.534 32.020 1.00 0.00 ATOM 162 CB LEU A 21 34.423 38.025 30.749 1.00 0.00 ATOM 163 CG LEU A 21 35.933 38.272 30.836 1.00 0.00 ATOM 164 CD1 LEU A 21 36.645 36.940 30.983 1.00 0.00 ATOM 165 CD2 LEU A 21 36.425 39.008 29.588 1.00 0.00 ATOM 166 O LEU A 21 33.520 39.521 33.335 1.00 0.00 ATOM 167 C LEU A 21 34.084 38.432 33.206 1.00 0.00 ATOM 168 N ASP A 22 34.991 37.972 34.099 1.00 0.00 ATOM 169 CA ASP A 22 35.393 38.763 35.258 1.00 0.00 ATOM 170 CB ASP A 22 35.821 37.906 36.455 1.00 0.00 ATOM 171 CG ASP A 22 37.060 37.031 36.214 1.00 0.00 ATOM 172 OD1 ASP A 22 37.873 37.347 35.329 1.00 0.00 ATOM 173 OD2 ASP A 22 37.197 36.065 36.979 1.00 0.00 ATOM 174 O ASP A 22 36.935 39.676 33.652 1.00 0.00 ATOM 175 C ASP A 22 36.535 39.673 34.819 1.00 0.00 ATOM 176 N GLU A 23 37.073 40.482 35.744 1.00 0.00 ATOM 177 CA GLU A 23 38.150 41.427 35.496 1.00 0.00 ATOM 178 CB GLU A 23 38.315 42.395 36.676 1.00 0.00 ATOM 179 CG GLU A 23 38.431 41.706 38.025 1.00 0.00 ATOM 180 CD GLU A 23 38.826 42.686 39.132 1.00 0.00 ATOM 181 OE1 GLU A 23 38.343 43.843 39.134 1.00 0.00 ATOM 182 OE2 GLU A 23 39.679 42.237 39.926 1.00 0.00 ATOM 183 O GLU A 23 40.356 41.472 34.577 1.00 0.00 ATOM 184 C GLU A 23 39.482 40.798 35.128 1.00 0.00 ATOM 185 N TYR A 24 39.660 39.478 35.421 1.00 0.00 ATOM 186 CA TYR A 24 40.911 38.775 35.101 1.00 0.00 ATOM 187 CB TYR A 24 41.206 37.765 36.208 1.00 0.00 ATOM 188 CG TYR A 24 41.503 38.439 37.547 1.00 0.00 ATOM 189 CD1 TYR A 24 42.798 38.695 37.941 1.00 0.00 ATOM 190 CD2 TYR A 24 40.449 38.769 38.376 1.00 0.00 ATOM 191 CE1 TYR A 24 43.008 39.294 39.176 1.00 0.00 ATOM 192 CE2 TYR A 24 40.689 39.367 39.590 1.00 0.00 ATOM 193 CZ TYR A 24 41.978 39.643 40.005 1.00 0.00 ATOM 194 OH TYR A 24 42.274 40.337 41.128 1.00 0.00 ATOM 195 O TYR A 24 41.701 37.280 33.434 1.00 0.00 ATOM 196 C TYR A 24 40.789 38.024 33.791 1.00 0.00 ATOM 197 N GLY A 25 39.687 38.167 33.026 1.00 0.00 ATOM 198 CA GLY A 25 39.520 37.462 31.762 1.00 0.00 ATOM 199 O GLY A 25 39.121 35.207 31.077 1.00 0.00 ATOM 200 C GLY A 25 39.043 36.035 31.988 1.00 0.00 ATOM 201 N ASN A 26 38.510 35.750 33.209 1.00 0.00 ATOM 202 CA ASN A 26 38.001 34.411 33.524 1.00 0.00 ATOM 203 CB ASN A 26 38.582 33.898 34.871 1.00 0.00 ATOM 204 CG ASN A 26 40.078 33.948 34.928 1.00 0.00 ATOM 205 ND2 ASN A 26 40.603 34.616 35.994 1.00 0.00 ATOM 206 OD1 ASN A 26 40.768 33.457 34.007 1.00 0.00 ATOM 207 O ASN A 26 35.738 35.138 33.933 1.00 0.00 ATOM 208 C ASN A 26 36.486 34.366 33.319 1.00 0.00 ATOM 209 N PRO A 27 36.046 33.470 32.399 1.00 0.00 ATOM 210 CA PRO A 27 34.624 33.305 32.082 1.00 0.00 ATOM 211 CB PRO A 27 34.664 32.663 30.698 1.00 0.00 ATOM 212 CG PRO A 27 35.869 31.766 30.804 1.00 0.00 ATOM 213 CD PRO A 27 36.885 32.670 31.482 1.00 0.00 ATOM 214 O PRO A 27 34.472 31.553 33.744 1.00 0.00 ATOM 215 C PRO A 27 33.936 32.499 33.180 1.00 0.00 ATOM 216 N HIS A 28 32.708 32.911 33.431 1.00 0.00 ATOM 217 CA HIS A 28 31.812 32.284 34.414 1.00 0.00 ATOM 218 CB HIS A 28 31.666 33.241 35.603 1.00 0.00 ATOM 219 CG HIS A 28 32.988 33.452 36.359 1.00 0.00 ATOM 220 CD2 HIS A 28 33.729 34.565 36.341 1.00 0.00 ATOM 221 ND1 HIS A 28 33.576 32.579 37.182 1.00 0.00 ATOM 222 CE1 HIS A 28 34.680 33.168 37.644 1.00 0.00 ATOM 223 NE2 HIS A 28 34.773 34.389 37.136 1.00 0.00 ATOM 224 O HIS A 28 30.023 32.671 32.855 1.00 0.00 ATOM 225 C HIS A 28 30.456 31.960 33.766 1.00 0.00 ATOM 226 N ALA A 29 29.840 30.856 34.190 1.00 0.00 ATOM 227 CA ALA A 29 28.554 30.394 33.615 1.00 0.00 ATOM 228 CB ALA A 29 28.807 29.210 32.673 1.00 0.00 ATOM 229 O ALA A 29 27.814 29.538 35.718 1.00 0.00 ATOM 230 C ALA A 29 27.494 30.034 34.641 1.00 0.00 ATOM 231 N ARG A 30 26.185 30.294 34.301 1.00 0.00 ATOM 232 CA ARG A 30 25.036 29.804 35.064 1.00 0.00 ATOM 233 CB ARG A 30 24.734 30.758 36.238 1.00 0.00 ATOM 234 CG ARG A 30 23.353 30.450 36.863 1.00 0.00 ATOM 235 CD ARG A 30 22.835 31.181 38.087 1.00 0.00 ATOM 236 NE ARG A 30 23.116 32.618 37.955 1.00 0.00 ATOM 237 CZ ARG A 30 22.297 33.492 37.396 1.00 0.00 ATOM 238 NH1 ARG A 30 21.147 33.112 36.845 1.00 0.00 ATOM 239 NH2 ARG A 30 22.534 34.781 37.582 1.00 0.00 ATOM 240 O ARG A 30 23.795 30.595 33.156 1.00 0.00 ATOM 241 C ARG A 30 23.864 29.783 34.074 1.00 0.00 ATOM 242 N HIS A 31 22.870 28.958 34.412 1.00 0.00 ATOM 243 CA HIS A 31 21.591 28.916 33.699 1.00 0.00 ATOM 244 CB HIS A 31 21.031 27.486 33.822 1.00 0.00 ATOM 245 CG HIS A 31 19.587 27.333 33.446 1.00 0.00 ATOM 246 CD2 HIS A 31 18.560 26.741 34.103 1.00 0.00 ATOM 247 ND1 HIS A 31 19.080 27.734 32.227 1.00 0.00 ATOM 248 CE1 HIS A 31 17.806 27.393 32.150 1.00 0.00 ATOM 249 NE2 HIS A 31 17.466 26.789 33.274 1.00 0.00 ATOM 250 O HIS A 31 20.344 30.006 35.447 1.00 0.00 ATOM 251 C HIS A 31 20.554 29.903 34.237 1.00 0.00 ATOM 252 N ALA A 32 19.943 30.647 33.364 1.00 0.00 ATOM 253 CA ALA A 32 18.934 31.624 33.753 1.00 0.00 ATOM 254 CB ALA A 32 19.338 33.040 33.575 1.00 0.00 ATOM 255 O ALA A 32 17.803 30.320 32.142 1.00 0.00 ATOM 256 C ALA A 32 17.746 31.270 32.924 1.00 0.00 ATOM 257 N HIS A 33 16.631 31.964 33.051 1.00 0.00 ATOM 258 CA HIS A 33 15.403 31.770 32.285 1.00 0.00 ATOM 259 CB HIS A 33 14.245 31.287 33.209 1.00 0.00 ATOM 260 CG HIS A 33 14.631 30.227 34.193 1.00 0.00 ATOM 261 CD2 HIS A 33 14.294 28.918 34.263 1.00 0.00 ATOM 262 ND1 HIS A 33 15.448 30.473 35.274 1.00 0.00 ATOM 263 CE1 HIS A 33 15.603 29.358 35.967 1.00 0.00 ATOM 264 NE2 HIS A 33 14.913 28.400 35.376 1.00 0.00 ATOM 265 O HIS A 33 15.173 34.109 31.786 1.00 0.00 ATOM 266 C HIS A 33 15.155 32.959 31.352 1.00 0.00 ATOM 267 N ILE A 34 15.094 32.663 30.062 1.00 0.00 ATOM 268 CA ILE A 34 14.670 33.682 29.078 1.00 0.00 ATOM 269 CB ILE A 34 14.780 33.128 27.651 1.00 0.00 ATOM 270 CG1 ILE A 34 16.153 32.497 27.367 1.00 0.00 ATOM 271 CG2 ILE A 34 14.321 34.151 26.600 1.00 0.00 ATOM 272 CD1 ILE A 34 17.363 33.428 27.368 1.00 0.00 ATOM 273 O ILE A 34 12.345 33.160 29.373 1.00 0.00 ATOM 274 C ILE A 34 13.215 34.065 29.326 1.00 0.00 ATOM 275 N THR A 35 12.919 35.346 29.638 1.00 0.00 ATOM 276 CA THR A 35 11.616 35.815 30.018 1.00 0.00 ATOM 277 CB THR A 35 11.652 36.710 31.254 1.00 0.00 ATOM 278 CG2 THR A 35 12.260 35.996 32.458 1.00 0.00 ATOM 279 OG1 THR A 35 12.399 37.897 30.998 1.00 0.00 ATOM 280 O THR A 35 9.711 36.621 28.831 1.00 0.00 ATOM 281 C THR A 35 10.955 36.580 28.874 1.00 0.00 ATOM 282 N ALA A 36 11.708 37.142 27.923 1.00 0.00 ATOM 283 CA ALA A 36 11.110 37.902 26.815 1.00 0.00 ATOM 284 CB ALA A 36 10.770 39.308 27.243 1.00 0.00 ATOM 285 O ALA A 36 13.397 37.886 26.061 1.00 0.00 ATOM 286 C ALA A 36 12.210 38.050 25.771 1.00 0.00 ATOM 287 N ALA A 37 11.764 38.309 24.540 1.00 0.00 ATOM 288 CA ALA A 37 12.680 38.560 23.416 1.00 0.00 ATOM 289 CB ALA A 37 13.085 37.252 22.762 1.00 0.00 ATOM 290 O ALA A 37 10.790 39.014 21.982 1.00 0.00 ATOM 291 C ALA A 37 11.955 39.261 22.271 1.00 0.00 ATOM 292 N ASN A 38 12.712 40.135 21.627 1.00 0.00 ATOM 293 CA ASN A 38 12.313 40.775 20.352 1.00 0.00 ATOM 294 CB ASN A 38 11.332 41.941 20.545 1.00 0.00 ATOM 295 CG ASN A 38 11.882 42.990 21.511 1.00 0.00 ATOM 296 ND2 ASN A 38 11.281 43.053 22.665 1.00 0.00 ATOM 297 OD1 ASN A 38 12.938 43.566 21.361 1.00 0.00 ATOM 298 O ASN A 38 14.631 40.766 20.086 1.00 0.00 ATOM 299 C ASN A 38 13.563 41.229 19.701 1.00 0.00 ATOM 300 N GLU A 39 13.513 42.157 18.659 1.00 0.00 ATOM 301 CA GLU A 39 14.716 42.517 17.941 1.00 0.00 ATOM 302 CB GLU A 39 14.288 43.486 16.824 1.00 0.00 ATOM 303 CG GLU A 39 13.320 42.906 15.784 1.00 0.00 ATOM 304 CD GLU A 39 11.835 42.885 16.187 1.00 0.00 ATOM 305 OE1 GLU A 39 11.520 43.361 17.297 1.00 0.00 ATOM 306 OE2 GLU A 39 11.032 42.266 15.455 1.00 0.00 ATOM 307 O GLU A 39 16.967 43.009 18.615 1.00 0.00 ATOM 308 C GLU A 39 15.773 43.210 18.814 1.00 0.00 ATOM 309 N GLU A 40 15.301 43.874 19.875 1.00 0.00 ATOM 310 CA GLU A 40 16.173 44.565 20.838 1.00 0.00 ATOM 311 CB GLU A 40 15.308 45.489 21.700 1.00 0.00 ATOM 312 CG GLU A 40 15.333 46.945 21.216 1.00 0.00 ATOM 313 CD GLU A 40 14.998 47.147 19.730 1.00 0.00 ATOM 314 OE1 GLU A 40 13.905 46.702 19.316 1.00 0.00 ATOM 315 OE2 GLU A 40 15.879 47.656 19.016 1.00 0.00 ATOM 316 O GLU A 40 18.070 44.014 22.238 1.00 0.00 ATOM 317 C GLU A 40 17.048 43.620 21.690 1.00 0.00 ATOM 318 N GLY A 41 16.571 42.377 21.821 1.00 0.00 ATOM 319 CA GLY A 41 17.344 41.304 22.437 1.00 0.00 ATOM 320 O GLY A 41 15.332 40.213 23.207 1.00 0.00 ATOM 321 C GLY A 41 16.544 40.388 23.365 1.00 0.00 ATOM 322 N ILE A 42 17.301 39.728 24.224 1.00 0.00 ATOM 323 CA ILE A 42 16.712 38.740 25.151 1.00 0.00 ATOM 324 CB ILE A 42 17.381 37.372 24.984 1.00 0.00 ATOM 325 CG1 ILE A 42 17.305 36.844 23.546 1.00 0.00 ATOM 326 CG2 ILE A 42 16.625 36.389 25.859 1.00 0.00 ATOM 327 CD1 ILE A 42 18.258 35.670 23.292 1.00 0.00 ATOM 328 O ILE A 42 17.752 39.833 26.998 1.00 0.00 ATOM 329 C ILE A 42 16.745 39.268 26.571 1.00 0.00 ATOM 330 N PHE A 43 15.596 39.064 27.326 1.00 0.00 ATOM 331 CA PHE A 43 15.496 39.530 28.681 1.00 0.00 ATOM 332 CB PHE A 43 14.103 40.155 28.823 1.00 0.00 ATOM 333 CG PHE A 43 13.921 41.312 27.844 1.00 0.00 ATOM 334 CD1 PHE A 43 13.512 41.067 26.547 1.00 0.00 ATOM 335 CD2 PHE A 43 14.130 42.603 28.283 1.00 0.00 ATOM 336 CE1 PHE A 43 13.308 42.100 25.643 1.00 0.00 ATOM 337 CE2 PHE A 43 13.907 43.639 27.391 1.00 0.00 ATOM 338 CZ PHE A 43 13.498 43.384 26.086 1.00 0.00 ATOM 339 O PHE A 43 14.931 37.337 29.512 1.00 0.00 ATOM 340 C PHE A 43 15.544 38.388 29.697 1.00 0.00 ATOM 341 N PHE A 44 16.258 38.668 30.777 1.00 0.00 ATOM 342 CA PHE A 44 16.305 37.784 31.956 1.00 0.00 ATOM 343 CB PHE A 44 17.404 36.726 31.805 1.00 0.00 ATOM 344 CG PHE A 44 18.835 37.246 31.943 1.00 0.00 ATOM 345 CD1 PHE A 44 19.387 38.024 30.939 1.00 0.00 ATOM 346 CD2 PHE A 44 19.563 36.998 33.101 1.00 0.00 ATOM 347 CE1 PHE A 44 20.642 38.589 31.099 1.00 0.00 ATOM 348 CE2 PHE A 44 20.826 37.554 33.261 1.00 0.00 ATOM 349 CZ PHE A 44 21.364 38.357 32.259 1.00 0.00 ATOM 350 O PHE A 44 17.210 39.646 33.156 1.00 0.00 ATOM 351 C PHE A 44 16.511 38.638 33.216 1.00 0.00 ATOM 352 N MET A 45 16.006 38.118 34.324 1.00 0.00 ATOM 353 CA MET A 45 16.053 38.772 35.656 1.00 0.00 ATOM 354 CB MET A 45 14.659 38.808 36.277 1.00 0.00 ATOM 355 CG MET A 45 13.996 37.476 36.618 1.00 0.00 ATOM 356 SD MET A 45 12.191 37.701 36.850 1.00 0.00 ATOM 357 CE MET A 45 11.801 37.857 35.136 1.00 0.00 ATOM 358 O MET A 45 17.359 36.934 36.468 1.00 0.00 ATOM 359 C MET A 45 17.049 38.119 36.610 1.00 0.00 ATOM 360 N THR A 46 17.602 38.937 37.503 1.00 0.00 ATOM 361 CA THR A 46 18.545 38.455 38.530 1.00 0.00 ATOM 362 CB THR A 46 19.920 38.276 37.861 1.00 0.00 ATOM 363 CG2 THR A 46 20.506 39.632 37.454 1.00 0.00 ATOM 364 OG1 THR A 46 20.848 37.558 38.689 1.00 0.00 ATOM 365 O THR A 46 17.910 40.371 39.898 1.00 0.00 ATOM 366 C THR A 46 18.640 39.388 39.750 1.00 0.00 ATOM 367 N SER A 47 19.426 38.973 40.725 1.00 0.00 ATOM 368 CA SER A 47 19.793 39.834 41.855 1.00 0.00 ATOM 369 CB SER A 47 20.039 38.990 43.114 1.00 0.00 ATOM 370 OG SER A 47 20.700 39.833 44.052 1.00 0.00 ATOM 371 O SER A 47 21.669 40.547 40.562 1.00 0.00 ATOM 372 C SER A 47 20.790 40.876 41.352 1.00 0.00 ATOM 373 N PRO A 48 20.683 42.117 41.761 1.00 0.00 ATOM 374 CA PRO A 48 21.676 43.115 41.365 1.00 0.00 ATOM 375 CB PRO A 48 21.048 44.422 41.866 1.00 0.00 ATOM 376 CG PRO A 48 20.063 44.036 42.925 1.00 0.00 ATOM 377 CD PRO A 48 19.859 42.571 42.882 1.00 0.00 ATOM 378 O PRO A 48 23.946 43.783 41.735 1.00 0.00 ATOM 379 C PRO A 48 23.003 43.073 42.132 1.00 0.00 ATOM 380 N GLU A 49 23.112 42.294 43.185 1.00 0.00 ATOM 381 CA GLU A 49 24.338 42.046 43.945 1.00 0.00 ATOM 382 CB GLU A 49 23.932 42.040 45.426 1.00 0.00 ATOM 383 CG GLU A 49 23.399 43.377 45.951 1.00 0.00 ATOM 384 CD GLU A 49 23.057 43.330 47.446 1.00 0.00 ATOM 385 OE1 GLU A 49 23.314 42.285 48.090 1.00 0.00 ATOM 386 OE2 GLU A 49 22.477 44.326 47.929 1.00 0.00 ATOM 387 O GLU A 49 25.884 40.252 44.467 1.00 0.00 ATOM 388 C GLU A 49 25.030 40.696 43.687 1.00 0.00 ATOM 389 N THR A 50 24.554 39.997 42.666 1.00 0.00 ATOM 390 CA THR A 50 25.081 38.690 42.266 1.00 0.00 ATOM 391 CB THR A 50 24.173 37.908 41.300 1.00 0.00 ATOM 392 CG2 THR A 50 22.826 37.554 41.938 1.00 0.00 ATOM 393 OG1 THR A 50 24.083 38.485 39.991 1.00 0.00 ATOM 394 O THR A 50 26.788 39.863 41.032 1.00 0.00 ATOM 395 C THR A 50 26.394 38.792 41.505 1.00 0.00 ATOM 396 N HIS A 51 27.109 37.656 41.425 1.00 0.00 ATOM 397 CA HIS A 51 28.356 37.583 40.686 1.00 0.00 ATOM 398 CB HIS A 51 28.938 36.189 40.808 1.00 0.00 ATOM 399 CG HIS A 51 29.504 36.000 42.199 1.00 0.00 ATOM 400 CD2 HIS A 51 29.180 35.026 43.047 1.00 0.00 ATOM 401 ND1 HIS A 51 30.505 36.691 42.710 1.00 0.00 ATOM 402 CE1 HIS A 51 30.823 36.130 43.880 1.00 0.00 ATOM 403 NE2 HIS A 51 30.013 35.091 44.081 1.00 0.00 ATOM 404 O HIS A 51 29.032 38.681 38.642 1.00 0.00 ATOM 405 C HIS A 51 28.231 37.948 39.198 1.00 0.00 ATOM 406 N PHE A 52 27.141 37.497 38.592 1.00 0.00 ATOM 407 CA PHE A 52 26.848 37.821 37.179 1.00 0.00 ATOM 408 CB PHE A 52 25.647 37.068 36.623 1.00 0.00 ATOM 409 CG PHE A 52 25.987 35.693 36.084 1.00 0.00 ATOM 410 CD1 PHE A 52 26.884 34.848 36.728 1.00 0.00 ATOM 411 CD2 PHE A 52 25.393 35.298 34.888 1.00 0.00 ATOM 412 CE1 PHE A 52 27.202 33.624 36.189 1.00 0.00 ATOM 413 CE2 PHE A 52 25.699 34.059 34.352 1.00 0.00 ATOM 414 CZ PHE A 52 26.602 33.246 34.996 1.00 0.00 ATOM 415 O PHE A 52 27.178 39.920 36.014 1.00 0.00 ATOM 416 C PHE A 52 26.671 39.331 36.984 1.00 0.00 ATOM 417 N TYR A 53 25.921 39.973 37.911 1.00 0.00 ATOM 418 CA TYR A 53 25.711 41.408 37.869 1.00 0.00 ATOM 419 CB TYR A 53 24.808 41.824 39.035 1.00 0.00 ATOM 420 CG TYR A 53 24.594 43.345 39.042 1.00 0.00 ATOM 421 CD1 TYR A 53 23.546 43.869 38.323 1.00 0.00 ATOM 422 CD2 TYR A 53 25.531 44.194 39.629 1.00 0.00 ATOM 423 CE1 TYR A 53 23.431 45.229 38.116 1.00 0.00 ATOM 424 CE2 TYR A 53 25.396 45.562 39.470 1.00 0.00 ATOM 425 CZ TYR A 53 24.369 46.063 38.708 1.00 0.00 ATOM 426 OH TYR A 53 24.189 47.389 38.720 1.00 0.00 ATOM 427 O TYR A 53 27.303 43.028 37.122 1.00 0.00 ATOM 428 C TYR A 53 27.051 42.159 37.957 1.00 0.00 ATOM 429 N ASP A 54 27.900 41.760 38.899 1.00 0.00 ATOM 430 CA ASP A 54 29.211 42.400 39.100 1.00 0.00 ATOM 431 CB ASP A 54 29.931 41.819 40.319 1.00 0.00 ATOM 432 CG ASP A 54 29.281 42.166 41.666 1.00 0.00 ATOM 433 OD1 ASP A 54 28.231 42.839 41.675 1.00 0.00 ATOM 434 OD2 ASP A 54 29.721 41.583 42.665 1.00 0.00 ATOM 435 O ASP A 54 30.742 43.136 37.399 1.00 0.00 ATOM 436 C ASP A 54 30.068 42.203 37.846 1.00 0.00 ATOM 437 N GLN A 55 30.035 41.004 37.274 1.00 0.00 ATOM 438 CA GLN A 55 30.825 40.722 36.077 1.00 0.00 ATOM 439 CB GLN A 55 30.674 39.269 35.674 1.00 0.00 ATOM 440 CG GLN A 55 31.474 38.331 36.570 1.00 0.00 ATOM 441 CD GLN A 55 31.208 36.915 36.105 1.00 0.00 ATOM 442 OE1 GLN A 55 31.559 36.480 35.018 1.00 0.00 ATOM 443 NE2 GLN A 55 30.572 36.147 36.954 1.00 0.00 ATOM 444 O GLN A 55 31.101 41.986 34.060 1.00 0.00 ATOM 445 C GLN A 55 30.314 41.522 34.883 1.00 0.00 ATOM 446 N LEU A 56 28.999 41.694 34.780 1.00 0.00 ATOM 447 CA LEU A 56 28.423 42.458 33.677 1.00 0.00 ATOM 448 CB LEU A 56 26.908 42.376 33.785 1.00 0.00 ATOM 449 CG LEU A 56 26.422 41.079 33.141 1.00 0.00 ATOM 450 CD1 LEU A 56 24.939 40.865 33.452 1.00 0.00 ATOM 451 CD2 LEU A 56 26.624 41.239 31.643 1.00 0.00 ATOM 452 O LEU A 56 29.020 44.570 32.678 1.00 0.00 ATOM 453 C LEU A 56 28.801 43.928 33.702 1.00 0.00 ATOM 454 N MET A 57 28.850 44.437 34.931 1.00 0.00 ATOM 455 CA MET A 57 29.200 45.837 35.191 1.00 0.00 ATOM 456 CB MET A 57 29.023 46.076 36.679 1.00 0.00 ATOM 457 CG MET A 57 27.570 46.134 37.140 1.00 0.00 ATOM 458 SD MET A 57 26.509 47.396 36.345 1.00 0.00 ATOM 459 CE MET A 57 27.227 48.932 36.879 1.00 0.00 ATOM 460 O MET A 57 30.893 47.138 34.061 1.00 0.00 ATOM 461 C MET A 57 30.622 46.114 34.697 1.00 0.00 ATOM 462 N GLY A 58 31.531 45.178 34.946 1.00 0.00 ATOM 463 CA GLY A 58 32.939 45.254 34.532 1.00 0.00 ATOM 464 O GLY A 58 34.130 45.368 32.450 1.00 0.00 ATOM 465 C GLY A 58 33.166 44.907 33.051 1.00 0.00 ATOM 466 N ASP A 59 32.260 44.094 32.494 1.00 0.00 ATOM 467 CA ASP A 59 32.328 43.663 31.087 1.00 0.00 ATOM 468 CB ASP A 59 33.377 42.553 30.949 1.00 0.00 ATOM 469 CG ASP A 59 33.639 42.123 29.527 1.00 0.00 ATOM 470 OD1 ASP A 59 32.712 42.160 28.697 1.00 0.00 ATOM 471 OD2 ASP A 59 34.783 41.731 29.198 1.00 0.00 ATOM 472 O ASP A 59 30.358 42.294 30.910 1.00 0.00 ATOM 473 C ASP A 59 30.915 43.346 30.602 1.00 0.00 ATOM 474 N GLN A 60 30.350 44.231 29.819 1.00 0.00 ATOM 475 CA GLN A 60 28.980 44.094 29.334 1.00 0.00 ATOM 476 CB GLN A 60 28.580 45.506 28.809 1.00 0.00 ATOM 477 CG GLN A 60 28.739 46.628 29.809 1.00 0.00 ATOM 478 CD GLN A 60 28.463 47.968 29.168 1.00 0.00 ATOM 479 OE1 GLN A 60 28.858 48.218 28.021 1.00 0.00 ATOM 480 NE2 GLN A 60 27.776 48.846 29.900 1.00 0.00 ATOM 481 O GLN A 60 27.619 42.550 28.144 1.00 0.00 ATOM 482 C GLN A 60 28.745 42.963 28.349 1.00 0.00 ATOM 483 N ARG A 61 29.806 42.412 27.694 1.00 0.00 ATOM 484 CA ARG A 61 29.652 41.329 26.740 1.00 0.00 ATOM 485 CB ARG A 61 30.999 40.837 26.391 1.00 0.00 ATOM 486 CG ARG A 61 31.411 41.618 25.132 1.00 0.00 ATOM 487 CD ARG A 61 30.328 41.660 24.057 1.00 0.00 ATOM 488 NE ARG A 61 30.707 42.584 22.979 1.00 0.00 ATOM 489 CZ ARG A 61 31.398 42.240 21.899 1.00 0.00 ATOM 490 NH1 ARG A 61 31.786 40.985 21.729 1.00 0.00 ATOM 491 NH2 ARG A 61 31.716 43.160 20.994 1.00 0.00 ATOM 492 O ARG A 61 29.793 39.580 28.368 1.00 0.00 ATOM 493 C ARG A 61 29.239 40.001 27.339 1.00 0.00 ATOM 494 N VAL A 62 28.272 39.374 26.702 1.00 0.00 ATOM 495 CA VAL A 62 27.763 38.106 27.196 1.00 0.00 ATOM 496 CB VAL A 62 26.442 38.248 28.037 1.00 0.00 ATOM 497 CG1 VAL A 62 26.703 39.110 29.272 1.00 0.00 ATOM 498 CG2 VAL A 62 25.294 38.832 27.205 1.00 0.00 ATOM 499 O VAL A 62 27.245 37.616 24.880 1.00 0.00 ATOM 500 C VAL A 62 27.458 37.189 26.017 1.00 0.00 ATOM 501 N ALA A 63 27.386 35.925 26.410 1.00 0.00 ATOM 502 CA ALA A 63 26.921 34.855 25.532 1.00 0.00 ATOM 503 CB ALA A 63 28.083 33.913 25.211 1.00 0.00 ATOM 504 O ALA A 63 25.771 33.901 27.414 1.00 0.00 ATOM 505 C ALA A 63 25.777 34.087 26.206 1.00 0.00 ATOM 506 N MET A 64 24.794 33.757 25.380 1.00 0.00 ATOM 507 CA MET A 64 23.648 32.920 25.786 1.00 0.00 ATOM 508 CB MET A 64 22.347 33.726 25.642 1.00 0.00 ATOM 509 CG MET A 64 21.086 32.980 26.096 1.00 0.00 ATOM 510 SD MET A 64 20.477 31.660 24.976 1.00 0.00 ATOM 511 CE MET A 64 19.780 32.634 23.674 1.00 0.00 ATOM 512 O MET A 64 23.876 31.739 23.705 1.00 0.00 ATOM 513 C MET A 64 23.648 31.675 24.902 1.00 0.00 ATOM 514 N THR A 65 23.417 30.545 25.563 1.00 0.00 ATOM 515 CA THR A 65 23.282 29.269 24.854 1.00 0.00 ATOM 516 CB THR A 65 24.545 28.411 24.971 1.00 0.00 ATOM 517 CG2 THR A 65 24.386 27.051 24.286 1.00 0.00 ATOM 518 OG1 THR A 65 25.646 29.146 24.405 1.00 0.00 ATOM 519 O THR A 65 21.930 28.219 26.555 1.00 0.00 ATOM 520 C THR A 65 22.037 28.529 25.373 1.00 0.00 ATOM 521 N ALA A 66 21.182 28.201 24.423 1.00 0.00 ATOM 522 CA ALA A 66 20.023 27.334 24.729 1.00 0.00 ATOM 523 CB ALA A 66 18.738 27.828 24.075 1.00 0.00 ATOM 524 O ALA A 66 20.819 25.626 23.223 1.00 0.00 ATOM 525 C ALA A 66 20.407 25.906 24.353 1.00 0.00 ATOM 526 N ILE A 67 20.558 25.113 25.416 1.00 0.00 ATOM 527 CA ILE A 67 20.965 23.698 25.337 1.00 0.00 ATOM 528 CB ILE A 67 21.057 23.066 26.743 1.00 0.00 ATOM 529 CG1 ILE A 67 22.175 23.728 27.550 1.00 0.00 ATOM 530 CG2 ILE A 67 21.316 21.564 26.617 1.00 0.00 ATOM 531 CD1 ILE A 67 23.564 23.465 27.012 1.00 0.00 ATOM 532 O ILE A 67 18.731 22.944 24.847 1.00 0.00 ATOM 533 C ILE A 67 19.924 22.878 24.565 1.00 0.00 ATOM 534 N SER A 68 20.436 22.043 23.661 1.00 0.00 ATOM 535 CA SER A 68 19.627 21.007 22.998 1.00 0.00 ATOM 536 CB SER A 68 20.438 20.479 21.782 1.00 0.00 ATOM 537 OG SER A 68 21.430 19.582 22.288 1.00 0.00 ATOM 538 O SER A 68 19.750 19.675 24.978 1.00 0.00 ATOM 539 C SER A 68 19.073 20.016 24.007 1.00 0.00 ATOM 540 N GLU A 69 17.879 19.549 23.726 1.00 0.00 ATOM 541 CA GLU A 69 17.240 18.516 24.544 1.00 0.00 ATOM 542 CB GLU A 69 15.896 18.190 23.903 1.00 0.00 ATOM 543 CG GLU A 69 15.056 17.184 24.682 1.00 0.00 ATOM 544 CD GLU A 69 13.911 16.608 23.850 1.00 0.00 ATOM 545 OE1 GLU A 69 12.901 16.339 24.514 1.00 0.00 ATOM 546 OE2 GLU A 69 14.045 16.432 22.613 1.00 0.00 ATOM 547 O GLU A 69 18.777 16.903 23.595 1.00 0.00 ATOM 548 C GLU A 69 18.090 17.244 24.558 1.00 0.00 ATOM 549 N GLU A 70 18.070 16.579 25.708 1.00 0.00 ATOM 550 CA GLU A 70 18.637 15.220 25.856 1.00 0.00 ATOM 551 CB GLU A 70 18.478 14.808 27.374 1.00 0.00 ATOM 552 CG GLU A 70 19.219 15.693 28.358 1.00 0.00 ATOM 553 CD GLU A 70 19.191 15.152 29.774 1.00 0.00 ATOM 554 OE1 GLU A 70 18.097 14.789 30.264 1.00 0.00 ATOM 555 OE2 GLU A 70 20.266 15.095 30.405 1.00 0.00 ATOM 556 O GLU A 70 18.696 13.219 24.523 1.00 0.00 ATOM 557 C GLU A 70 18.051 14.203 24.877 1.00 0.00 ATOM 558 N GLY A 71 16.847 14.545 24.422 1.00 0.00 ATOM 559 CA GLY A 71 16.105 13.781 23.416 1.00 0.00 ATOM 560 O GLY A 71 17.587 14.452 21.560 1.00 0.00 ATOM 561 C GLY A 71 16.465 14.119 21.976 1.00 0.00 ATOM 562 N TYR A 72 15.401 13.950 21.169 1.00 0.00 ATOM 563 CA TYR A 72 15.506 14.121 19.710 1.00 0.00 ATOM 564 CB TYR A 72 14.037 14.110 19.296 1.00 0.00 ATOM 565 CG TYR A 72 13.816 14.634 17.886 1.00 0.00 ATOM 566 CD1 TYR A 72 14.043 13.832 16.780 1.00 0.00 ATOM 567 CD2 TYR A 72 13.353 15.931 17.736 1.00 0.00 ATOM 568 CE1 TYR A 72 13.730 14.295 15.529 1.00 0.00 ATOM 569 CE2 TYR A 72 13.063 16.410 16.462 1.00 0.00 ATOM 570 CZ TYR A 72 13.241 15.584 15.368 1.00 0.00 ATOM 571 OH TYR A 72 12.804 15.993 14.164 1.00 0.00 ATOM 572 O TYR A 72 16.642 15.575 18.198 1.00 0.00 ATOM 573 C TYR A 72 16.129 15.452 19.302 1.00 0.00 ATOM 574 N LEU A 73 15.799 16.470 20.105 1.00 0.00 ATOM 575 CA LEU A 73 16.229 17.838 19.790 1.00 0.00 ATOM 576 CB LEU A 73 15.603 18.894 20.684 1.00 0.00 ATOM 577 CG LEU A 73 14.103 18.923 20.587 1.00 0.00 ATOM 578 CD1 LEU A 73 13.679 19.874 21.680 1.00 0.00 ATOM 579 CD2 LEU A 73 13.675 19.478 19.230 1.00 0.00 ATOM 580 O LEU A 73 18.298 18.472 20.832 1.00 0.00 ATOM 581 C LEU A 73 17.731 18.081 19.805 1.00 0.00 ATOM 582 N ILE A 74 18.440 17.780 18.600 1.00 0.00 ATOM 583 CA ILE A 74 19.879 17.961 18.454 1.00 0.00 ATOM 584 CB ILE A 74 20.538 16.901 17.581 1.00 0.00 ATOM 585 CG1 ILE A 74 20.075 15.449 17.786 1.00 0.00 ATOM 586 CG2 ILE A 74 22.011 17.067 17.972 1.00 0.00 ATOM 587 CD1 ILE A 74 20.308 14.823 19.165 1.00 0.00 ATOM 588 O ILE A 74 20.615 19.544 16.767 1.00 0.00 ATOM 589 C ILE A 74 20.108 19.353 17.876 1.00 0.00 ATOM 590 N GLN A 75 19.821 20.301 18.747 1.00 0.00 ATOM 591 CA GLN A 75 19.989 21.723 18.405 1.00 0.00 ATOM 592 CB GLN A 75 18.657 22.284 17.935 1.00 0.00 ATOM 593 CG GLN A 75 17.599 22.229 19.032 1.00 0.00 ATOM 594 CD GLN A 75 16.243 22.578 18.433 1.00 0.00 ATOM 595 OE1 GLN A 75 16.031 22.746 17.238 1.00 0.00 ATOM 596 NE2 GLN A 75 15.265 22.584 19.295 1.00 0.00 ATOM 597 O GLN A 75 20.225 22.563 20.643 1.00 0.00 ATOM 598 C GLN A 75 20.559 22.625 19.476 1.00 0.00 ATOM 599 N VAL A 76 21.358 23.561 19.009 1.00 0.00 ATOM 600 CA VAL A 76 21.917 24.582 19.898 1.00 0.00 ATOM 601 CB VAL A 76 23.436 24.388 20.095 1.00 0.00 ATOM 602 CG1 VAL A 76 23.951 25.410 21.099 1.00 0.00 ATOM 603 CG2 VAL A 76 23.721 22.979 20.573 1.00 0.00 ATOM 604 O VAL A 76 21.915 26.113 18.045 1.00 0.00 ATOM 605 C VAL A 76 21.735 25.955 19.247 1.00 0.00 ATOM 606 N VAL A 77 21.473 26.928 20.076 1.00 0.00 ATOM 607 CA VAL A 77 21.342 28.341 19.743 1.00 0.00 ATOM 608 CB VAL A 77 19.837 28.786 19.782 1.00 0.00 ATOM 609 CG1 VAL A 77 19.239 28.460 21.128 1.00 0.00 ATOM 610 CG2 VAL A 77 19.743 30.303 19.575 1.00 0.00 ATOM 611 O VAL A 77 22.161 29.081 21.853 1.00 0.00 ATOM 612 C VAL A 77 22.298 29.141 20.632 1.00 0.00 ATOM 613 N ARG A 78 23.136 29.919 20.006 1.00 0.00 ATOM 614 CA ARG A 78 24.056 30.816 20.731 1.00 0.00 ATOM 615 CB ARG A 78 25.496 30.514 20.325 1.00 0.00 ATOM 616 CG ARG A 78 26.496 31.094 21.331 1.00 0.00 ATOM 617 CD ARG A 78 27.005 32.450 20.829 1.00 0.00 ATOM 618 NE ARG A 78 27.976 32.235 19.747 1.00 0.00 ATOM 619 CZ ARG A 78 29.247 31.865 19.938 1.00 0.00 ATOM 620 NH1 ARG A 78 29.781 31.704 21.141 1.00 0.00 ATOM 621 NH2 ARG A 78 30.023 31.597 18.906 1.00 0.00 ATOM 622 O ARG A 78 23.771 32.572 19.185 1.00 0.00 ATOM 623 C ARG A 78 23.838 32.269 20.373 1.00 0.00 ATOM 624 N VAL A 79 23.779 33.109 21.350 1.00 0.00 ATOM 625 CA VAL A 79 23.602 34.552 21.131 1.00 0.00 ATOM 626 CB VAL A 79 22.254 35.051 21.736 1.00 0.00 ATOM 627 CG1 VAL A 79 22.161 36.558 21.625 1.00 0.00 ATOM 628 CG2 VAL A 79 21.057 34.377 21.067 1.00 0.00 ATOM 629 O VAL A 79 25.178 35.114 22.854 1.00 0.00 ATOM 630 C VAL A 79 24.767 35.347 21.717 1.00 0.00 ATOM 631 N GLU A 80 25.295 36.249 20.924 1.00 0.00 ATOM 632 CA GLU A 80 26.403 37.096 21.358 1.00 0.00 ATOM 633 CB GLU A 80 27.571 36.918 20.394 1.00 0.00 ATOM 634 CG GLU A 80 28.755 37.849 20.677 1.00 0.00 ATOM 635 CD GLU A 80 29.936 37.630 19.737 1.00 0.00 ATOM 636 OE1 GLU A 80 29.889 36.722 18.876 1.00 0.00 ATOM 637 OE2 GLU A 80 30.935 38.334 19.940 1.00 0.00 ATOM 638 O GLU A 80 25.295 38.972 20.317 1.00 0.00 ATOM 639 C GLU A 80 25.886 38.540 21.315 1.00 0.00 ATOM 640 N GLY A 81 26.077 39.203 22.448 1.00 0.00 ATOM 641 CA GLY A 81 25.676 40.609 22.583 1.00 0.00 ATOM 642 O GLY A 81 27.063 40.800 24.540 1.00 0.00 ATOM 643 C GLY A 81 26.139 41.271 23.875 1.00 0.00 ATOM 644 N THR A 82 25.596 42.458 24.049 1.00 0.00 ATOM 645 CA THR A 82 25.913 43.287 25.225 1.00 0.00 ATOM 646 CB THR A 82 26.243 44.717 24.793 1.00 0.00 ATOM 647 CG2 THR A 82 26.587 45.598 25.987 1.00 0.00 ATOM 648 OG1 THR A 82 27.311 44.651 23.859 1.00 0.00 ATOM 649 O THR A 82 23.545 43.452 25.633 1.00 0.00 ATOM 650 C THR A 82 24.673 43.294 26.115 1.00 0.00 ATOM 651 N ALA A 83 24.958 43.089 27.476 1.00 0.00 ATOM 652 CA ALA A 83 23.893 43.175 28.482 1.00 0.00 ATOM 653 CB ALA A 83 24.283 42.399 29.744 1.00 0.00 ATOM 654 O ALA A 83 24.631 45.378 29.149 1.00 0.00 ATOM 655 C ALA A 83 23.670 44.640 28.917 1.00 0.00 ATOM 656 N ARG A 84 22.444 45.060 28.855 1.00 0.00 ATOM 657 CA ARG A 84 22.085 46.363 29.413 1.00 0.00 ATOM 658 CB ARG A 84 21.565 47.297 28.312 1.00 0.00 ATOM 659 CG ARG A 84 22.614 47.504 27.234 1.00 0.00 ATOM 660 CD ARG A 84 22.083 48.401 26.151 1.00 0.00 ATOM 661 NE ARG A 84 21.160 47.662 25.337 1.00 0.00 ATOM 662 CZ ARG A 84 21.167 47.547 24.014 1.00 0.00 ATOM 663 NH1 ARG A 84 22.031 48.089 23.198 1.00 0.00 ATOM 664 NH2 ARG A 84 20.185 46.849 23.522 1.00 0.00 ATOM 665 O ARG A 84 20.084 45.410 30.298 1.00 0.00 ATOM 666 C ARG A 84 21.006 46.215 30.490 1.00 0.00 ATOM 667 N PRO A 85 21.106 46.977 31.594 1.00 0.00 ATOM 668 CA PRO A 85 20.111 46.952 32.665 1.00 0.00 ATOM 669 CB PRO A 85 20.625 47.975 33.654 1.00 0.00 ATOM 670 CG PRO A 85 21.554 48.847 32.859 1.00 0.00 ATOM 671 CD PRO A 85 22.257 47.865 31.969 1.00 0.00 ATOM 672 O PRO A 85 18.625 48.346 31.395 1.00 0.00 ATOM 673 C PRO A 85 18.730 47.408 32.190 1.00 0.00 ATOM 674 N VAL A 86 17.725 46.775 32.704 1.00 0.00 ATOM 675 CA VAL A 86 16.380 47.199 32.325 1.00 0.00 ATOM 676 CB VAL A 86 15.356 46.084 32.504 1.00 0.00 ATOM 677 CG1 VAL A 86 15.594 45.087 31.361 1.00 0.00 ATOM 678 CG2 VAL A 86 15.291 45.609 33.970 1.00 0.00 ATOM 679 O VAL A 86 16.651 48.604 34.249 1.00 0.00 ATOM 680 C VAL A 86 16.021 48.387 33.208 1.00 0.00 ATOM 681 N GLU A 87 14.902 49.004 32.875 1.00 0.00 ATOM 682 CA GLU A 87 14.356 50.070 33.712 1.00 0.00 ATOM 683 CB GLU A 87 13.299 50.862 32.946 1.00 0.00 ATOM 684 CG GLU A 87 13.868 51.530 31.725 1.00 0.00 ATOM 685 CD GLU A 87 14.955 52.532 32.094 1.00 0.00 ATOM 686 OE1 GLU A 87 14.650 53.423 32.932 1.00 0.00 ATOM 687 OE2 GLU A 87 16.097 52.425 31.564 1.00 0.00 ATOM 688 O GLU A 87 13.122 48.359 34.905 1.00 0.00 ATOM 689 C GLU A 87 13.569 49.505 34.898 1.00 0.00 ATOM 690 N ASN A 88 13.305 50.401 35.846 1.00 0.00 ATOM 691 CA ASN A 88 12.445 50.055 36.991 1.00 0.00 ATOM 692 CB ASN A 88 12.331 51.194 37.995 1.00 0.00 ATOM 693 CG ASN A 88 13.664 51.435 38.675 1.00 0.00 ATOM 694 ND2 ASN A 88 13.816 52.614 39.150 1.00 0.00 ATOM 695 OD1 ASN A 88 14.551 50.637 38.885 1.00 0.00 ATOM 696 O ASN A 88 10.443 48.782 37.193 1.00 0.00 ATOM 697 C ASN A 88 11.013 49.704 36.606 1.00 0.00 ATOM 698 N ASP A 89 10.533 50.333 35.548 1.00 0.00 ATOM 699 CA ASP A 89 9.181 50.085 35.020 1.00 0.00 ATOM 700 CB ASP A 89 8.778 51.070 33.933 1.00 0.00 ATOM 701 CG ASP A 89 8.555 52.479 34.454 1.00 0.00 ATOM 702 OD1 ASP A 89 8.467 52.641 35.702 1.00 0.00 ATOM 703 OD2 ASP A 89 8.400 53.342 33.568 1.00 0.00 ATOM 704 O ASP A 89 8.070 47.968 34.806 1.00 0.00 ATOM 705 C ASP A 89 9.053 48.649 34.520 1.00 0.00 ATOM 706 N TYR A 90 10.041 48.219 33.774 1.00 0.00 ATOM 707 CA TYR A 90 10.043 46.858 33.240 1.00 0.00 ATOM 708 CB TYR A 90 11.218 46.701 32.272 1.00 0.00 ATOM 709 CG TYR A 90 11.297 45.268 31.742 1.00 0.00 ATOM 710 CD1 TYR A 90 10.480 44.856 30.709 1.00 0.00 ATOM 711 CD2 TYR A 90 12.180 44.360 32.303 1.00 0.00 ATOM 712 CE1 TYR A 90 10.539 43.564 30.220 1.00 0.00 ATOM 713 CE2 TYR A 90 12.240 43.065 31.807 1.00 0.00 ATOM 714 CZ TYR A 90 11.425 42.666 30.768 1.00 0.00 ATOM 715 OH TYR A 90 11.521 41.407 30.259 1.00 0.00 ATOM 716 O TYR A 90 9.332 44.889 34.450 1.00 0.00 ATOM 717 C TYR A 90 10.135 45.825 34.368 1.00 0.00 ATOM 718 N LEU A 91 11.082 46.067 35.280 1.00 0.00 ATOM 719 CA LEU A 91 11.311 45.151 36.408 1.00 0.00 ATOM 720 CB LEU A 91 12.527 45.607 37.208 1.00 0.00 ATOM 721 CG LEU A 91 12.734 44.661 38.397 1.00 0.00 ATOM 722 CD1 LEU A 91 13.187 43.265 37.986 1.00 0.00 ATOM 723 CD2 LEU A 91 13.754 45.248 39.316 1.00 0.00 ATOM 724 O LEU A 91 9.769 43.958 37.844 1.00 0.00 ATOM 725 C LEU A 91 10.090 45.047 37.355 1.00 0.00 ATOM 726 N LYS A 92 9.396 46.165 37.616 1.00 0.00 ATOM 727 CA LYS A 92 8.263 46.166 38.517 1.00 0.00 ATOM 728 CB LYS A 92 7.896 47.613 38.837 1.00 0.00 ATOM 729 CG LYS A 92 9.020 48.249 39.662 1.00 0.00 ATOM 730 CD LYS A 92 9.037 49.756 39.673 1.00 0.00 ATOM 731 CE LYS A 92 8.790 50.175 41.110 1.00 0.00 ATOM 732 NZ LYS A 92 9.114 51.588 41.270 1.00 0.00 ATOM 733 O LYS A 92 6.410 44.633 38.512 1.00 0.00 ATOM 734 C LYS A 92 7.118 45.395 37.856 1.00 0.00 ATOM 735 N THR A 93 6.962 45.573 36.531 1.00 0.00 ATOM 736 CA THR A 93 5.914 44.887 35.788 1.00 0.00 ATOM 737 CB THR A 93 5.940 45.280 34.308 1.00 0.00 ATOM 738 CG2 THR A 93 4.847 44.572 33.482 1.00 0.00 ATOM 739 OG1 THR A 93 5.736 46.683 34.223 1.00 0.00 ATOM 740 O THR A 93 5.153 42.668 36.228 1.00 0.00 ATOM 741 C THR A 93 6.102 43.374 35.907 1.00 0.00 ATOM 742 N VAL A 94 7.329 42.915 35.707 1.00 0.00 ATOM 743 CA VAL A 94 7.645 41.475 35.738 1.00 0.00 ATOM 744 CB VAL A 94 9.057 41.213 35.205 1.00 0.00 ATOM 745 CG1 VAL A 94 9.434 39.764 35.420 1.00 0.00 ATOM 746 CG2 VAL A 94 9.102 41.540 33.707 1.00 0.00 ATOM 747 O VAL A 94 7.110 39.784 37.371 1.00 0.00 ATOM 748 C VAL A 94 7.556 40.912 37.163 1.00 0.00 ATOM 749 N PHE A 95 8.215 41.601 38.085 1.00 0.00 ATOM 750 CA PHE A 95 8.273 41.179 39.496 1.00 0.00 ATOM 751 CB PHE A 95 8.955 42.145 40.408 1.00 0.00 ATOM 752 CG PHE A 95 8.881 41.740 41.859 1.00 0.00 ATOM 753 CD1 PHE A 95 9.527 40.605 42.312 1.00 0.00 ATOM 754 CD2 PHE A 95 8.108 42.461 42.761 1.00 0.00 ATOM 755 CE1 PHE A 95 9.433 40.218 43.665 1.00 0.00 ATOM 756 CE2 PHE A 95 8.033 42.086 44.109 1.00 0.00 ATOM 757 CZ PHE A 95 8.703 40.996 44.568 1.00 0.00 ATOM 758 O PHE A 95 6.390 39.934 40.393 1.00 0.00 ATOM 759 C PHE A 95 6.831 40.999 39.941 1.00 0.00 ATOM 760 N ALA A 96 6.018 42.035 39.766 1.00 0.00 ATOM 761 CA ALA A 96 4.617 41.955 40.102 1.00 0.00 ATOM 762 CB ALA A 96 4.032 43.390 39.936 1.00 0.00 ATOM 763 O ALA A 96 2.936 40.346 39.634 1.00 0.00 ATOM 764 C ALA A 96 3.895 40.962 39.178 1.00 0.00 ATOM 765 N ASP A 97 4.344 40.828 37.938 1.00 0.00 ATOM 766 CA ASP A 97 3.729 39.934 36.927 1.00 0.00 ATOM 767 CB ASP A 97 4.464 40.029 35.581 1.00 0.00 ATOM 768 CG ASP A 97 3.694 39.368 34.442 1.00 0.00 ATOM 769 OD1 ASP A 97 2.537 39.800 34.226 1.00 0.00 ATOM 770 OD2 ASP A 97 4.283 38.437 33.842 1.00 0.00 ATOM 771 O ASP A 97 2.892 37.700 36.977 1.00 0.00 ATOM 772 C ASP A 97 3.723 38.493 37.397 1.00 0.00 ATOM 773 N ASN A 98 4.692 38.138 38.294 1.00 0.00 ATOM 774 CA ASN A 98 4.815 36.793 38.820 1.00 0.00 ATOM 775 CB ASN A 98 6.254 36.315 38.740 1.00 0.00 ATOM 776 CG ASN A 98 6.684 36.211 37.281 1.00 0.00 ATOM 777 ND2 ASN A 98 7.643 37.010 36.954 1.00 0.00 ATOM 778 OD1 ASN A 98 6.199 35.430 36.481 1.00 0.00 ATOM 779 O ASN A 98 4.244 37.863 40.886 1.00 0.00 ATOM 780 C ASN A 98 4.344 36.791 40.283 1.00 0.00 ATOM 781 N PRO A 99 4.033 35.602 40.837 1.00 0.00 ATOM 782 CA PRO A 99 3.647 35.464 42.249 1.00 0.00 ATOM 783 CB PRO A 99 3.420 33.973 42.484 1.00 0.00 ATOM 784 CG PRO A 99 3.068 33.447 41.099 1.00 0.00 ATOM 785 CD PRO A 99 3.934 34.301 40.161 1.00 0.00 ATOM 786 O PRO A 99 5.928 35.830 42.839 1.00 0.00 ATOM 787 C PRO A 99 4.749 35.992 43.146 1.00 0.00 ATOM 788 N TYR A 100 4.326 36.545 44.279 1.00 0.00 ATOM 789 CA TYR A 100 5.272 37.044 45.289 1.00 0.00 ATOM 790 CB TYR A 100 4.689 38.149 46.155 1.00 0.00 ATOM 791 CG TYR A 100 5.750 38.705 47.116 1.00 0.00 ATOM 792 CD1 TYR A 100 6.815 39.451 46.613 1.00 0.00 ATOM 793 CD2 TYR A 100 5.657 38.526 48.489 1.00 0.00 ATOM 794 CE1 TYR A 100 7.754 39.968 47.503 1.00 0.00 ATOM 795 CE2 TYR A 100 6.598 39.055 49.366 1.00 0.00 ATOM 796 CZ TYR A 100 7.664 39.770 48.853 1.00 0.00 ATOM 797 OH TYR A 100 8.806 40.015 49.562 1.00 0.00 ATOM 798 O TYR A 100 4.909 35.338 46.958 1.00 0.00 ATOM 799 C TYR A 100 5.702 35.905 46.194 1.00 0.00 ATOM 800 N TYR A 101 6.990 35.656 46.134 1.00 0.00 ATOM 801 CA TYR A 101 7.556 34.606 46.976 1.00 0.00 ATOM 802 CB TYR A 101 8.634 33.874 46.192 1.00 0.00 ATOM 803 CG TYR A 101 8.136 33.261 44.881 1.00 0.00 ATOM 804 CD1 TYR A 101 7.363 32.105 44.814 1.00 0.00 ATOM 805 CD2 TYR A 101 8.417 33.931 43.713 1.00 0.00 ATOM 806 CE1 TYR A 101 6.896 31.650 43.587 1.00 0.00 ATOM 807 CE2 TYR A 101 7.947 33.489 42.483 1.00 0.00 ATOM 808 CZ TYR A 101 7.177 32.347 42.422 1.00 0.00 ATOM 809 OH TYR A 101 6.690 31.932 41.216 1.00 0.00 ATOM 810 O TYR A 101 9.171 35.656 48.472 1.00 0.00 ATOM 811 C TYR A 101 8.046 35.185 48.306 1.00 0.00 ATOM 812 N GLN A 102 7.150 35.058 49.286 1.00 0.00 ATOM 813 CA GLN A 102 7.403 35.591 50.630 1.00 0.00 ATOM 814 CB GLN A 102 6.173 35.484 51.517 1.00 0.00 ATOM 815 CG GLN A 102 5.012 36.318 51.017 1.00 0.00 ATOM 816 CD GLN A 102 3.728 36.064 51.799 1.00 0.00 ATOM 817 OE1 GLN A 102 3.604 35.314 52.766 1.00 0.00 ATOM 818 NE2 GLN A 102 2.696 36.689 51.312 1.00 0.00 ATOM 819 O GLN A 102 9.186 35.440 52.243 1.00 0.00 ATOM 820 C GLN A 102 8.538 34.871 51.359 1.00 0.00 ATOM 821 N HIS A 103 8.712 33.594 51.021 1.00 0.00 ATOM 822 CA HIS A 103 9.766 32.783 51.617 1.00 0.00 ATOM 823 CB HIS A 103 9.284 31.399 51.982 1.00 0.00 ATOM 824 CG HIS A 103 8.092 31.405 52.898 1.00 0.00 ATOM 825 CD2 HIS A 103 7.727 32.266 53.878 1.00 0.00 ATOM 826 ND1 HIS A 103 7.111 30.437 52.844 1.00 0.00 ATOM 827 CE1 HIS A 103 6.183 30.714 53.750 1.00 0.00 ATOM 828 NE2 HIS A 103 6.535 31.813 54.392 1.00 0.00 ATOM 829 O HIS A 103 12.101 32.445 51.147 1.00 0.00 ATOM 830 C HIS A 103 10.958 32.601 50.718 1.00 0.00 ATOM 831 N ILE A 104 10.721 32.753 49.338 1.00 0.00 ATOM 832 CA ILE A 104 11.821 32.622 48.400 1.00 0.00 ATOM 833 CB ILE A 104 11.265 32.488 46.980 1.00 0.00 ATOM 834 CG1 ILE A 104 10.346 31.260 46.890 1.00 0.00 ATOM 835 CG2 ILE A 104 12.336 32.510 45.887 1.00 0.00 ATOM 836 CD1 ILE A 104 11.045 29.954 47.268 1.00 0.00 ATOM 837 O ILE A 104 14.044 33.472 48.515 1.00 0.00 ATOM 838 C ILE A 104 12.856 33.756 48.483 1.00 0.00 ATOM 839 N TYR A 105 12.353 34.961 48.721 1.00 0.00 ATOM 840 CA TYR A 105 13.244 36.126 48.819 1.00 0.00 ATOM 841 CB TYR A 105 12.690 37.285 48.010 1.00 0.00 ATOM 842 CG TYR A 105 12.509 36.910 46.544 1.00 0.00 ATOM 843 CD1 TYR A 105 13.601 36.757 45.698 1.00 0.00 ATOM 844 CD2 TYR A 105 11.241 36.669 46.055 1.00 0.00 ATOM 845 CE1 TYR A 105 13.430 36.324 44.388 1.00 0.00 ATOM 846 CE2 TYR A 105 11.068 36.254 44.761 1.00 0.00 ATOM 847 CZ TYR A 105 12.154 36.080 43.910 1.00 0.00 ATOM 848 OH TYR A 105 11.920 35.803 42.600 1.00 0.00 ATOM 849 O TYR A 105 14.156 37.568 50.508 1.00 0.00 ATOM 850 C TYR A 105 13.489 36.561 50.261 1.00 0.00 ATOM 851 N LYS A 106 12.952 35.805 51.203 1.00 0.00 ATOM 852 CA LYS A 106 13.064 36.132 52.623 1.00 0.00 ATOM 853 CB LYS A 106 12.178 35.098 53.408 1.00 0.00 ATOM 854 CG LYS A 106 12.249 35.340 54.928 1.00 0.00 ATOM 855 CD LYS A 106 11.511 34.229 55.667 1.00 0.00 ATOM 856 CE LYS A 106 11.452 34.581 57.154 1.00 0.00 ATOM 857 NZ LYS A 106 10.481 33.711 57.891 1.00 0.00 ATOM 858 O LYS A 106 14.853 36.994 53.946 1.00 0.00 ATOM 859 C LYS A 106 14.520 36.156 53.113 1.00 0.00 ATOM 860 N ASP A 107 15.361 35.307 52.533 1.00 0.00 ATOM 861 CA ASP A 107 16.774 35.235 52.934 1.00 0.00 ATOM 862 CB ASP A 107 17.477 34.069 52.287 1.00 0.00 ATOM 863 CG ASP A 107 18.781 33.747 52.973 1.00 0.00 ATOM 864 OD1 ASP A 107 18.773 33.677 54.223 1.00 0.00 ATOM 865 OD2 ASP A 107 19.809 33.563 52.281 1.00 0.00 ATOM 866 O ASP A 107 18.298 37.049 53.350 1.00 0.00 ATOM 867 C ASP A 107 17.596 36.456 52.533 1.00 0.00 ATOM 868 N GLU A 108 17.309 36.975 51.370 1.00 0.00 ATOM 869 CA GLU A 108 18.126 38.029 50.741 1.00 0.00 ATOM 870 CB GLU A 108 18.537 37.584 49.324 1.00 0.00 ATOM 871 CG GLU A 108 19.485 36.405 49.305 1.00 0.00 ATOM 872 CD GLU A 108 19.727 35.791 47.935 1.00 0.00 ATOM 873 OE1 GLU A 108 19.445 36.474 46.941 1.00 0.00 ATOM 874 OE2 GLU A 108 20.182 34.628 47.931 1.00 0.00 ATOM 875 O GLU A 108 17.270 40.054 51.743 1.00 0.00 ATOM 876 C GLU A 108 17.361 39.371 50.724 1.00 0.00 ATOM 877 N SER A 109 16.842 39.676 49.469 1.00 0.00 ATOM 878 CA SER A 109 16.137 40.926 49.147 1.00 0.00 ATOM 879 CB SER A 109 17.181 42.028 48.978 1.00 0.00 ATOM 880 OG SER A 109 16.496 43.238 48.688 1.00 0.00 ATOM 881 O SER A 109 16.017 40.426 46.813 1.00 0.00 ATOM 882 C SER A 109 15.424 40.734 47.835 1.00 0.00 ATOM 883 N SER A 110 14.133 41.088 47.792 1.00 0.00 ATOM 884 CA SER A 110 13.281 40.969 46.607 1.00 0.00 ATOM 885 CB SER A 110 11.962 40.236 47.031 1.00 0.00 ATOM 886 OG SER A 110 11.180 41.108 47.829 1.00 0.00 ATOM 887 O SER A 110 12.240 42.303 44.916 1.00 0.00 ATOM 888 C SER A 110 12.970 42.284 45.906 1.00 0.00 ATOM 889 N ASP A 111 13.529 43.407 46.413 1.00 0.00 ATOM 890 CA ASP A 111 13.190 44.734 45.918 1.00 0.00 ATOM 891 CB ASP A 111 12.582 45.578 47.045 1.00 0.00 ATOM 892 CG ASP A 111 13.426 45.741 48.322 1.00 0.00 ATOM 893 OD1 ASP A 111 14.622 45.379 48.328 1.00 0.00 ATOM 894 OD2 ASP A 111 12.888 46.260 49.314 1.00 0.00 ATOM 895 O ASP A 111 14.175 46.575 44.740 1.00 0.00 ATOM 896 C ASP A 111 14.350 45.520 45.337 1.00 0.00 ATOM 897 N THR A 112 15.533 44.974 45.515 1.00 0.00 ATOM 898 CA THR A 112 16.709 45.587 44.902 1.00 0.00 ATOM 899 CB THR A 112 17.917 45.633 45.828 1.00 0.00 ATOM 900 CG2 THR A 112 17.560 46.487 47.049 1.00 0.00 ATOM 901 OG1 THR A 112 18.316 44.328 46.278 1.00 0.00 ATOM 902 O THR A 112 18.103 45.096 43.008 1.00 0.00 ATOM 903 C THR A 112 17.073 44.822 43.633 1.00 0.00 ATOM 904 N MET A 113 16.115 43.793 43.250 1.00 0.00 ATOM 905 CA MET A 113 16.400 42.969 42.078 1.00 0.00 ATOM 906 CB MET A 113 15.323 41.880 41.918 1.00 0.00 ATOM 907 CG MET A 113 15.069 40.992 43.132 1.00 0.00 ATOM 908 SD MET A 113 13.672 39.656 42.821 1.00 0.00 ATOM 909 CE MET A 113 12.951 40.335 41.166 1.00 0.00 ATOM 910 O MET A 113 15.703 44.834 40.833 1.00 0.00 ATOM 911 C MET A 113 16.227 43.727 40.773 1.00 0.00 ATOM 912 N GLN A 114 16.706 43.164 39.653 1.00 0.00 ATOM 913 CA GLN A 114 16.636 43.762 38.296 1.00 0.00 ATOM 914 CB GLN A 114 17.633 44.887 38.057 1.00 0.00 ATOM 915 CG GLN A 114 17.504 46.018 39.054 1.00 0.00 ATOM 916 CD GLN A 114 18.278 47.254 38.689 1.00 0.00 ATOM 917 OE1 GLN A 114 17.955 48.363 39.076 1.00 0.00 ATOM 918 NE2 GLN A 114 19.274 47.066 37.862 1.00 0.00 ATOM 919 O GLN A 114 17.550 41.710 37.503 1.00 0.00 ATOM 920 C GLN A 114 17.009 42.782 37.211 1.00 0.00 ATOM 921 N VAL A 115 16.823 43.261 35.934 1.00 0.00 ATOM 922 CA VAL A 115 17.131 42.427 34.781 1.00 0.00 ATOM 923 CB VAL A 115 15.779 41.872 34.251 1.00 0.00 ATOM 924 CG1 VAL A 115 14.579 41.888 35.189 1.00 0.00 ATOM 925 CG2 VAL A 115 15.230 42.458 32.977 1.00 0.00 ATOM 926 O VAL A 115 18.382 44.268 33.789 1.00 0.00 ATOM 927 C VAL A 115 18.073 43.080 33.743 1.00 0.00 ATOM 928 N PHE A 116 18.414 42.251 32.755 1.00 0.00 ATOM 929 CA PHE A 116 19.243 42.638 31.608 1.00 0.00 ATOM 930 CB PHE A 116 20.631 41.992 31.660 1.00 0.00 ATOM 931 CG PHE A 116 21.422 42.321 32.895 1.00 0.00 ATOM 932 CD1 PHE A 116 21.304 41.540 34.043 1.00 0.00 ATOM 933 CD2 PHE A 116 22.316 43.384 32.896 1.00 0.00 ATOM 934 CE1 PHE A 116 22.070 41.818 35.171 1.00 0.00 ATOM 935 CE2 PHE A 116 23.088 43.671 34.017 1.00 0.00 ATOM 936 CZ PHE A 116 22.963 42.886 35.161 1.00 0.00 ATOM 937 O PHE A 116 18.054 41.064 30.216 1.00 0.00 ATOM 938 C PHE A 116 18.620 42.161 30.305 1.00 0.00 ATOM 939 N GLN A 117 18.809 43.006 29.307 1.00 0.00 ATOM 940 CA GLN A 117 18.499 42.677 27.920 1.00 0.00 ATOM 941 CB GLN A 117 17.609 43.764 27.318 1.00 0.00 ATOM 942 CG GLN A 117 17.205 43.327 25.915 1.00 0.00 ATOM 943 CD GLN A 117 16.675 44.485 25.080 1.00 0.00 ATOM 944 OE1 GLN A 117 16.949 45.663 25.222 1.00 0.00 ATOM 945 NE2 GLN A 117 15.719 44.146 24.281 1.00 0.00 ATOM 946 O GLN A 117 20.695 43.435 27.299 1.00 0.00 ATOM 947 C GLN A 117 19.837 42.558 27.194 1.00 0.00 ATOM 948 N ILE A 118 19.994 41.433 26.524 1.00 0.00 ATOM 949 CA ILE A 118 21.192 41.140 25.720 1.00 0.00 ATOM 950 CB ILE A 118 21.674 39.690 25.892 1.00 0.00 ATOM 951 CG1 ILE A 118 21.944 39.435 27.379 1.00 0.00 ATOM 952 CG2 ILE A 118 22.901 39.417 24.993 1.00 0.00 ATOM 953 CD1 ILE A 118 22.214 37.968 27.684 1.00 0.00 ATOM 954 O ILE A 118 19.946 40.767 23.704 1.00 0.00 ATOM 955 C ILE A 118 20.830 41.415 24.264 1.00 0.00 ATOM 956 N TYR A 119 21.600 42.315 23.672 1.00 0.00 ATOM 957 CA TYR A 119 21.431 42.708 22.262 1.00 0.00 ATOM 958 CB TYR A 119 22.183 44.013 22.009 1.00 0.00 ATOM 959 CG TYR A 119 22.039 44.478 20.558 1.00 0.00 ATOM 960 CD1 TYR A 119 20.829 44.943 20.058 1.00 0.00 ATOM 961 CD2 TYR A 119 23.143 44.433 19.718 1.00 0.00 ATOM 962 CE1 TYR A 119 20.722 45.366 18.742 1.00 0.00 ATOM 963 CE2 TYR A 119 23.040 44.864 18.401 1.00 0.00 ATOM 964 CZ TYR A 119 21.831 45.340 17.909 1.00 0.00 ATOM 965 OH TYR A 119 21.791 45.871 16.660 1.00 0.00 ATOM 966 O TYR A 119 22.921 40.978 21.440 1.00 0.00 ATOM 967 C TYR A 119 21.868 41.595 21.286 1.00 0.00 ATOM 968 N ALA A 120 21.004 41.385 20.212 1.00 0.00 ATOM 969 CA ALA A 120 21.371 40.432 19.165 1.00 0.00 ATOM 970 CB ALA A 120 20.100 40.123 18.339 1.00 0.00 ATOM 971 O ALA A 120 22.101 41.757 17.315 1.00 0.00 ATOM 972 C ALA A 120 22.430 40.990 18.212 1.00 0.00 ATOM 973 N GLY A 121 23.696 40.716 18.500 1.00 0.00 ATOM 974 CA GLY A 121 24.811 41.066 17.583 1.00 0.00 ATOM 975 O GLY A 121 25.063 40.067 15.381 1.00 0.00 ATOM 976 C GLY A 121 25.056 39.907 16.596 1.00 0.00 ATOM 977 N HIS A 122 25.054 38.725 17.177 1.00 0.00 ATOM 978 CA HIS A 122 25.276 37.459 16.461 1.00 0.00 ATOM 979 CB HIS A 122 26.750 37.061 16.549 1.00 0.00 ATOM 980 CG HIS A 122 27.669 38.082 15.870 1.00 0.00 ATOM 981 CD2 HIS A 122 28.422 39.002 16.474 1.00 0.00 ATOM 982 ND1 HIS A 122 27.864 38.175 14.561 1.00 0.00 ATOM 983 CE1 HIS A 122 28.729 39.163 14.357 1.00 0.00 ATOM 984 NE2 HIS A 122 29.072 39.674 15.537 1.00 0.00 ATOM 985 O HIS A 122 24.271 36.226 18.283 1.00 0.00 ATOM 986 C HIS A 122 24.422 36.351 17.030 1.00 0.00 ATOM 987 N GLY A 123 23.800 35.586 16.114 1.00 0.00 ATOM 988 CA GLY A 123 23.005 34.410 16.490 1.00 0.00 ATOM 989 O GLY A 123 23.356 33.206 14.439 1.00 0.00 ATOM 990 C GLY A 123 23.421 33.199 15.661 1.00 0.00 ATOM 991 N PHE A 124 23.943 32.219 16.374 1.00 0.00 ATOM 992 CA PHE A 124 24.401 30.990 15.732 1.00 0.00 ATOM 993 CB PHE A 124 25.684 30.518 16.408 1.00 0.00 ATOM 994 CG PHE A 124 26.270 29.290 15.777 1.00 0.00 ATOM 995 CD1 PHE A 124 26.940 29.365 14.557 1.00 0.00 ATOM 996 CD2 PHE A 124 26.136 28.050 16.397 1.00 0.00 ATOM 997 CE1 PHE A 124 27.472 28.215 13.962 1.00 0.00 ATOM 998 CE2 PHE A 124 26.658 26.897 15.815 1.00 0.00 ATOM 999 CZ PHE A 124 27.330 26.981 14.594 1.00 0.00 ATOM 1000 O PHE A 124 22.991 29.658 17.131 1.00 0.00 ATOM 1001 C PHE A 124 23.381 29.888 15.985 1.00 0.00 ATOM 1002 N TYR A 125 23.187 29.126 14.922 1.00 0.00 ATOM 1003 CA TYR A 125 22.378 27.904 14.965 1.00 0.00 ATOM 1004 CB TYR A 125 21.185 27.977 14.006 1.00 0.00 ATOM 1005 CG TYR A 125 20.395 26.673 14.166 1.00 0.00 ATOM 1006 CD1 TYR A 125 19.542 26.542 15.265 1.00 0.00 ATOM 1007 CD2 TYR A 125 20.501 25.651 13.226 1.00 0.00 ATOM 1008 CE1 TYR A 125 18.803 25.387 15.416 1.00 0.00 ATOM 1009 CE2 TYR A 125 19.724 24.509 13.378 1.00 0.00 ATOM 1010 CZ TYR A 125 18.894 24.377 14.487 1.00 0.00 ATOM 1011 OH TYR A 125 18.241 23.228 14.763 1.00 0.00 ATOM 1012 O TYR A 125 23.993 26.709 13.621 1.00 0.00 ATOM 1013 C TYR A 125 23.251 26.694 14.603 1.00 0.00 ATOM 1014 N HIS A 126 23.083 25.672 15.419 1.00 0.00 ATOM 1015 CA HIS A 126 23.700 24.353 15.206 1.00 0.00 ATOM 1016 CB HIS A 126 24.671 24.054 16.334 1.00 0.00 ATOM 1017 CG HIS A 126 25.347 22.677 16.312 1.00 0.00 ATOM 1018 CD2 HIS A 126 25.604 21.914 15.251 1.00 0.00 ATOM 1019 ND1 HIS A 126 25.541 21.942 17.394 1.00 0.00 ATOM 1020 CE1 HIS A 126 25.817 20.708 17.007 1.00 0.00 ATOM 1021 NE2 HIS A 126 25.877 20.680 15.676 1.00 0.00 ATOM 1022 O HIS A 126 21.895 23.126 16.209 1.00 0.00 ATOM 1023 C HIS A 126 22.634 23.264 15.241 1.00 0.00 ATOM 1024 N SER A 127 22.745 22.410 14.238 1.00 0.00 ATOM 1025 CA SER A 127 21.988 21.144 14.217 1.00 0.00 ATOM 1026 CB SER A 127 20.838 21.246 13.213 1.00 0.00 ATOM 1027 OG SER A 127 21.328 21.362 11.890 1.00 0.00 ATOM 1028 O SER A 127 23.940 20.188 13.221 1.00 0.00 ATOM 1029 C SER A 127 22.928 19.987 13.902 1.00 0.00 ATOM 1030 N LEU A 128 22.664 18.842 14.525 1.00 0.00 ATOM 1031 CA LEU A 128 23.505 17.626 14.342 1.00 0.00 ATOM 1032 CB LEU A 128 22.898 16.369 14.962 1.00 0.00 ATOM 1033 CG LEU A 128 23.812 15.129 15.100 1.00 0.00 ATOM 1034 CD1 LEU A 128 25.197 15.435 15.670 1.00 0.00 ATOM 1035 CD2 LEU A 128 23.155 14.137 16.054 1.00 0.00 ATOM 1036 O LEU A 128 22.597 17.281 12.188 1.00 0.00 ATOM 1037 C LEU A 128 23.625 17.258 12.876 1.00 0.00 ATOM 1038 N THR A 129 24.883 16.690 12.670 1.00 0.00 ATOM 1039 CA THR A 129 25.252 15.856 11.479 1.00 0.00 ATOM 1040 CB THR A 129 24.045 15.601 10.564 1.00 0.00 ATOM 1041 CG2 THR A 129 24.318 14.926 9.236 1.00 0.00 ATOM 1042 OG1 THR A 129 23.144 14.748 11.232 1.00 0.00 ATOM 1043 O THR A 129 25.968 17.526 9.969 1.00 0.00 ATOM 1044 C THR A 129 26.303 16.558 10.657 1.00 0.00 ATOM 1045 N GLN A 130 27.542 16.095 10.683 1.00 0.00 ATOM 1046 CA GLN A 130 28.734 16.826 10.143 1.00 0.00 ATOM 1047 CB GLN A 130 28.335 17.317 8.636 1.00 0.00 ATOM 1048 CG GLN A 130 27.068 16.718 8.030 1.00 0.00 ATOM 1049 CD GLN A 130 27.279 15.397 7.309 1.00 0.00 ATOM 1050 OE1 GLN A 130 26.315 14.796 6.824 1.00 0.00 ATOM 1051 NE2 GLN A 130 28.519 14.946 7.234 1.00 0.00 ATOM 1052 O GLN A 130 29.503 18.881 11.107 1.00 0.00 ATOM 1053 C GLN A 130 28.534 18.165 10.844 1.00 0.00 ATOM 1054 N GLY A 131 27.221 18.451 11.233 1.00 0.00 ATOM 1055 CA GLY A 131 26.945 19.710 11.904 1.00 0.00 ATOM 1056 O GLY A 131 27.447 20.944 9.920 1.00 0.00 ATOM 1057 C GLY A 131 26.594 20.630 10.756 1.00 0.00 ATOM 1058 N HIS A 132 25.444 21.203 10.984 1.00 0.00 ATOM 1059 CA HIS A 132 24.972 22.367 10.238 1.00 0.00 ATOM 1060 CB HIS A 132 23.611 22.057 9.578 1.00 0.00 ATOM 1061 CG HIS A 132 23.586 20.847 8.705 1.00 0.00 ATOM 1062 CD2 HIS A 132 23.160 19.584 8.947 1.00 0.00 ATOM 1063 ND1 HIS A 132 24.014 20.863 7.392 1.00 0.00 ATOM 1064 CE1 HIS A 132 23.863 19.658 6.872 1.00 0.00 ATOM 1065 NE2 HIS A 132 23.344 18.865 7.793 1.00 0.00 ATOM 1066 O HIS A 132 24.358 23.627 12.177 1.00 0.00 ATOM 1067 C HIS A 132 24.983 23.601 11.114 1.00 0.00 ATOM 1068 N LYS A 133 25.931 24.446 10.767 1.00 0.00 ATOM 1069 CA LYS A 133 26.240 25.637 11.560 1.00 0.00 ATOM 1070 CB LYS A 133 27.704 25.642 12.054 1.00 0.00 ATOM 1071 CG LYS A 133 28.123 24.410 12.789 1.00 0.00 ATOM 1072 CD LYS A 133 29.545 24.520 13.269 1.00 0.00 ATOM 1073 CE LYS A 133 29.846 23.423 14.276 1.00 0.00 ATOM 1074 NZ LYS A 133 31.248 23.347 14.730 1.00 0.00 ATOM 1075 O LYS A 133 26.606 27.017 9.651 1.00 0.00 ATOM 1076 C LYS A 133 26.033 26.915 10.740 1.00 0.00 ATOM 1077 N TYR A 134 25.226 27.837 11.241 1.00 0.00 ATOM 1078 CA TYR A 134 24.932 29.087 10.524 1.00 0.00 ATOM 1079 CB TYR A 134 23.599 28.988 9.762 1.00 0.00 ATOM 1080 CG TYR A 134 23.459 27.742 8.879 1.00 0.00 ATOM 1081 CD1 TYR A 134 23.052 26.551 9.474 1.00 0.00 ATOM 1082 CD2 TYR A 134 23.635 27.786 7.504 1.00 0.00 ATOM 1083 CE1 TYR A 134 22.834 25.421 8.705 1.00 0.00 ATOM 1084 CE2 TYR A 134 23.416 26.643 6.727 1.00 0.00 ATOM 1085 CZ TYR A 134 23.017 25.460 7.334 1.00 0.00 ATOM 1086 OH TYR A 134 23.010 24.316 6.605 1.00 0.00 ATOM 1087 O TYR A 134 24.417 30.274 12.503 1.00 0.00 ATOM 1088 C TYR A 134 25.025 30.298 11.454 1.00 0.00 ATOM 1089 N ILE A 135 25.795 31.274 11.066 1.00 0.00 ATOM 1090 CA ILE A 135 26.004 32.439 11.902 1.00 0.00 ATOM 1091 CB ILE A 135 27.486 32.793 12.010 1.00 0.00 ATOM 1092 CG1 ILE A 135 28.329 31.628 12.567 1.00 0.00 ATOM 1093 CG2 ILE A 135 27.599 34.000 12.885 1.00 0.00 ATOM 1094 CD1 ILE A 135 29.756 31.692 12.194 1.00 0.00 ATOM 1095 O ILE A 135 25.499 33.963 10.152 1.00 0.00 ATOM 1096 C ILE A 135 25.284 33.648 11.325 1.00 0.00 ATOM 1097 N PHE A 136 24.477 34.227 12.122 1.00 0.00 ATOM 1098 CA PHE A 136 23.738 35.427 11.741 1.00 0.00 ATOM 1099 CB PHE A 136 22.344 35.470 12.345 1.00 0.00 ATOM 1100 CG PHE A 136 21.396 35.340 11.183 1.00 0.00 ATOM 1101 CD1 PHE A 136 21.117 36.414 10.359 1.00 0.00 ATOM 1102 CD2 PHE A 136 20.906 34.100 10.889 1.00 0.00 ATOM 1103 CE1 PHE A 136 20.324 36.219 9.232 1.00 0.00 ATOM 1104 CE2 PHE A 136 20.109 33.936 9.773 1.00 0.00 ATOM 1105 CZ PHE A 136 19.803 34.986 8.946 1.00 0.00 ATOM 1106 O PHE A 136 24.540 36.712 13.596 1.00 0.00 ATOM 1107 C PHE A 136 24.464 36.587 12.368 1.00 0.00 ATOM 1108 N SER A 137 25.142 37.558 11.596 1.00 0.00 ATOM 1109 CA SER A 137 25.920 38.698 12.057 1.00 0.00 ATOM 1110 CB SER A 137 27.353 38.505 11.568 1.00 0.00 ATOM 1111 OG SER A 137 27.496 38.774 10.179 1.00 0.00 ATOM 1112 O SER A 137 24.987 40.280 10.506 1.00 0.00 ATOM 1113 C SER A 137 25.260 40.024 11.669 1.00 0.00 ATOM 1114 N ILE A 138 24.896 40.794 12.684 1.00 0.00 ATOM 1115 CA ILE A 138 24.289 42.150 12.524 1.00 0.00 ATOM 1116 CB ILE A 138 23.868 42.749 13.874 1.00 0.00 ATOM 1117 CG1 ILE A 138 22.849 41.843 14.571 1.00 0.00 ATOM 1118 CG2 ILE A 138 23.388 44.214 13.811 1.00 0.00 ATOM 1119 CD1 ILE A 138 21.433 41.803 14.000 1.00 0.00 ATOM 1120 O ILE A 138 26.306 43.405 12.187 1.00 0.00 ATOM 1121 C ILE A 138 25.188 43.114 11.758 1.00 0.00 ATOM 1122 N GLY A 139 24.745 43.598 10.623 1.00 0.00 ATOM 1123 CA GLY A 139 25.555 44.517 9.847 1.00 0.00 ATOM 1124 O GLY A 139 23.794 45.004 8.285 1.00 0.00 ATOM 1125 C GLY A 139 24.627 45.443 9.069 1.00 0.00 ATOM 1126 N GLN A 140 24.867 46.735 9.247 1.00 0.00 ATOM 1127 CA GLN A 140 24.185 47.812 8.500 1.00 0.00 ATOM 1128 CB GLN A 140 24.575 47.772 7.006 1.00 0.00 ATOM 1129 CG GLN A 140 26.070 47.691 6.772 1.00 0.00 ATOM 1130 CD GLN A 140 26.428 47.736 5.297 1.00 0.00 ATOM 1131 OE1 GLN A 140 25.873 47.160 4.366 1.00 0.00 ATOM 1132 NE2 GLN A 140 27.384 48.575 5.040 1.00 0.00 ATOM 1133 O GLN A 140 21.931 48.017 7.652 1.00 0.00 ATOM 1134 C GLN A 140 22.652 47.776 8.607 1.00 0.00 ATOM 1135 N GLY A 141 22.171 47.497 9.818 1.00 0.00 ATOM 1136 CA GLY A 141 20.729 47.376 10.103 1.00 0.00 ATOM 1137 O GLY A 141 19.032 45.739 9.983 1.00 0.00 ATOM 1138 C GLY A 141 20.158 46.049 9.633 1.00 0.00 ATOM 1139 N GLU A 142 20.898 45.273 8.864 1.00 0.00 ATOM 1140 CA GLU A 142 20.458 43.950 8.393 1.00 0.00 ATOM 1141 CB GLU A 142 20.762 43.904 6.897 1.00 0.00 ATOM 1142 CG GLU A 142 19.861 44.835 6.085 1.00 0.00 ATOM 1143 CD GLU A 142 18.397 44.403 5.978 1.00 0.00 ATOM 1144 OE1 GLU A 142 17.650 45.223 5.404 1.00 0.00 ATOM 1145 OE2 GLU A 142 18.073 43.226 6.247 1.00 0.00 ATOM 1146 O GLU A 142 22.053 42.994 9.954 1.00 0.00 ATOM 1147 C GLU A 142 21.211 42.796 9.061 1.00 0.00 ATOM 1148 N HIS A 143 20.976 41.615 8.513 1.00 0.00 ATOM 1149 CA HIS A 143 21.603 40.386 8.997 1.00 0.00 ATOM 1150 CB HIS A 143 20.542 39.433 9.557 1.00 0.00 ATOM 1151 CG HIS A 143 19.671 40.054 10.600 1.00 0.00 ATOM 1152 CD2 HIS A 143 19.804 40.115 11.945 1.00 0.00 ATOM 1153 ND1 HIS A 143 18.557 40.800 10.289 1.00 0.00 ATOM 1154 CE1 HIS A 143 18.043 41.303 11.398 1.00 0.00 ATOM 1155 NE2 HIS A 143 18.782 40.902 12.418 1.00 0.00 ATOM 1156 O HIS A 143 21.940 39.380 6.836 1.00 0.00 ATOM 1157 C HIS A 143 22.431 39.693 7.926 1.00 0.00 ATOM 1158 N SER A 144 23.686 39.387 8.241 1.00 0.00 ATOM 1159 CA SER A 144 24.618 38.713 7.356 1.00 0.00 ATOM 1160 CB SER A 144 25.978 39.411 7.405 1.00 0.00 ATOM 1161 OG SER A 144 26.970 38.647 6.708 1.00 0.00 ATOM 1162 O SER A 144 25.125 36.935 8.869 1.00 0.00 ATOM 1163 C SER A 144 24.723 37.249 7.754 1.00 0.00 ATOM 1164 N GLU A 145 24.335 36.356 6.861 1.00 0.00 ATOM 1165 CA GLU A 145 24.387 34.926 7.135 1.00 0.00 ATOM 1166 CB GLU A 145 23.121 34.275 6.585 1.00 0.00 ATOM 1167 CG GLU A 145 23.039 32.771 6.773 1.00 0.00 ATOM 1168 CD GLU A 145 21.803 32.157 6.138 1.00 0.00 ATOM 1169 OE1 GLU A 145 20.915 32.880 5.627 1.00 0.00 ATOM 1170 OE2 GLU A 145 21.652 30.915 6.237 1.00 0.00 ATOM 1171 O GLU A 145 25.840 34.322 5.309 1.00 0.00 ATOM 1172 C GLU A 145 25.599 34.247 6.505 1.00 0.00 ATOM 1173 N VAL A 146 26.287 33.504 7.354 1.00 0.00 ATOM 1174 CA VAL A 146 27.451 32.692 6.936 1.00 0.00 ATOM 1175 CB VAL A 146 28.755 33.276 7.488 1.00 0.00 ATOM 1176 CG1 VAL A 146 29.960 32.498 6.952 1.00 0.00 ATOM 1177 CG2 VAL A 146 28.908 34.769 7.211 1.00 0.00 ATOM 1178 O VAL A 146 27.258 31.104 8.733 1.00 0.00 ATOM 1179 C VAL A 146 27.300 31.281 7.506 1.00 0.00 ATOM 1180 N ARG A 147 27.555 30.294 6.651 1.00 0.00 ATOM 1181 CA ARG A 147 27.710 28.930 7.176 1.00 0.00 ATOM 1182 CB ARG A 147 27.578 27.893 6.071 1.00 0.00 ATOM 1183 CG ARG A 147 27.625 26.469 6.608 1.00 0.00 ATOM 1184 CD ARG A 147 27.442 25.499 5.459 1.00 0.00 ATOM 1185 NE ARG A 147 27.340 24.188 6.061 1.00 0.00 ATOM 1186 CZ ARG A 147 28.306 23.371 6.425 1.00 0.00 ATOM 1187 NH1 ARG A 147 29.536 23.526 5.995 1.00 0.00 ATOM 1188 NH2 ARG A 147 28.000 22.384 7.245 1.00 0.00 ATOM 1189 O ARG A 147 30.066 29.308 7.527 1.00 0.00 ATOM 1190 C ARG A 147 29.042 28.783 7.927 1.00 0.00 ATOM 1191 N ALA A 148 29.005 28.035 8.995 1.00 0.00 ATOM 1192 CA ALA A 148 30.225 27.685 9.753 1.00 0.00 ATOM 1193 CB ALA A 148 30.113 28.224 11.174 1.00 0.00 ATOM 1194 O ALA A 148 29.562 25.455 9.866 1.00 0.00 ATOM 1195 C ALA A 148 30.503 26.221 9.737 1.00 0.00 ATOM 1196 N LEU A 149 31.813 25.857 9.661 1.00 0.00 ATOM 1197 CA LEU A 149 32.254 24.490 9.645 1.00 0.00 ATOM 1198 CB LEU A 149 33.754 24.429 9.317 1.00 0.00 ATOM 1199 CG LEU A 149 34.113 25.016 7.955 1.00 0.00 ATOM 1200 CD1 LEU A 149 35.651 24.989 7.796 1.00 0.00 ATOM 1201 CD2 LEU A 149 33.435 24.268 6.814 1.00 0.00 ATOM 1202 O LEU A 149 32.098 24.408 12.038 1.00 0.00 ATOM 1203 C LEU A 149 32.029 23.774 10.969 1.00 0.00 ENDMDL EXPDTA 2hhzA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hhzA ATOM 1 N MET 1 12.883 31.492 6.880 1.00 0.00 ATOM 2 CA MET 1 12.879 31.603 8.373 1.00 0.00 ATOM 3 CB MET 1 13.676 30.456 9.020 1.00 0.00 ATOM 4 CG MET 1 13.731 30.524 10.567 1.00 0.00 ATOM 5 SD MET 1 13.473 28.826 11.573 1.00 0.00 ATOM 6 CE MET 1 11.840 28.106 10.660 1.00 0.00 ATOM 7 O MET 1 14.291 33.551 8.162 1.00 0.00 ATOM 8 C MET 1 13.416 32.976 8.814 1.00 0.00 ATOM 9 N GLU 2 12.868 33.503 9.906 1.00 0.00 ATOM 10 CA GLU 2 13.186 34.850 10.343 1.00 0.00 ATOM 11 CB GLU 2 12.065 35.828 9.960 1.00 0.00 ATOM 12 CG GLU 2 10.691 35.476 10.507 1.00 0.00 ATOM 13 CD GLU 2 9.572 36.320 9.890 1.00 0.00 ATOM 14 OE1 GLU 2 9.814 37.524 9.606 1.00 0.00 ATOM 15 OE2 GLU 2 8.455 35.768 9.691 1.00 0.00 ATOM 16 O GLU 2 13.302 33.903 12.550 1.00 0.00 ATOM 17 C GLU 2 13.478 34.895 11.838 1.00 0.00 ATOM 18 N LEU 3 13.942 36.052 12.293 1.00 0.00 ATOM 19 CA LEU 3 14.414 36.197 13.655 1.00 0.00 ATOM 20 CB LEU 3 15.088 37.550 13.867 1.00 0.00 ATOM 21 CG LEU 3 15.763 37.767 15.226 1.00 0.00 ATOM 22 CD1 LEU 3 17.045 36.982 15.317 1.00 0.00 ATOM 23 CD2 LEU 3 16.028 39.260 15.462 1.00 0.00 ATOM 24 O LEU 3 13.595 35.381 15.708 1.00 0.00 ATOM 25 C LEU 3 13.321 35.984 14.677 1.00 0.00 ATOM 26 N LYS 4 12.108 36.467 14.391 1.00 0.00 ATOM 27 CA LYS 4 10.936 36.302 15.286 1.00 0.00 ATOM 28 CB LYS 4 9.593 36.698 14.612 1.00 0.00 ATOM 29 CG LYS 4 9.437 38.156 14.115 1.00 0.00 ATOM 30 O LYS 4 10.549 34.525 16.831 1.00 0.00 ATOM 31 C LYS 4 10.812 34.850 15.682 1.00 0.00 ATOM 32 N ASP 5 11.003 33.981 14.703 1.00 0.00 ATOM 33 CA ASP 5 10.827 32.553 14.900 1.00 0.00 ATOM 34 CB ASP 5 10.626 31.874 13.556 1.00 0.00 ATOM 35 CG ASP 5 9.469 32.476 12.785 1.00 0.00 ATOM 36 OD1 ASP 5 9.631 33.604 12.266 1.00 0.00 ATOM 37 OD2 ASP 5 8.402 31.839 12.725 1.00 0.00 ATOM 38 O ASP 5 11.774 31.127 16.577 1.00 0.00 ATOM 39 C ASP 5 11.986 31.924 15.658 1.00 0.00 ATOM 40 N ILE 6 13.208 32.297 15.303 1.00 0.00 ATOM 41 CA ILE 6 14.358 31.808 16.047 1.00 0.00 ATOM 42 CB ILE 6 15.694 32.308 15.451 1.00 0.00 ATOM 43 CG1 ILE 6 15.928 31.702 14.062 1.00 0.00 ATOM 44 CG2 ILE 6 16.922 31.941 16.367 1.00 0.00 ATOM 45 CD1 ILE 6 17.290 32.085 13.473 1.00 0.00 ATOM 46 O ILE 6 14.393 31.398 18.393 1.00 0.00 ATOM 47 C ILE 6 14.198 32.202 17.510 1.00 0.00 ATOM 48 N MET 7 13.790 33.431 17.769 1.00 0.00 ATOM 49 CA MET 7 13.757 33.917 19.131 1.00 0.00 ATOM 50 CB MET 7 13.637 35.425 19.148 1.00 0.00 ATOM 51 CG MET 7 14.853 36.106 18.561 1.00 0.00 ATOM 52 SD MET 7 16.410 36.065 19.671 1.00 0.00 ATOM 53 CE MET 7 17.324 34.556 18.802 1.00 0.00 ATOM 54 O MET 7 12.660 33.076 21.077 1.00 0.00 ATOM 55 C MET 7 12.604 33.275 19.864 1.00 0.00 ATOM 56 N HIS 8 11.562 32.904 19.149 1.00 0.00 ATOM 57 CA HIS 8 10.476 32.213 19.811 1.00 0.00 ATOM 58 CB HIS 8 9.267 32.090 18.893 1.00 0.00 ATOM 59 CG HIS 8 8.089 31.491 19.570 1.00 0.00 ATOM 60 CD2 HIS 8 7.220 30.531 19.172 1.00 0.00 ATOM 61 ND1 HIS 8 7.725 31.839 20.855 1.00 0.00 ATOM 62 CE1 HIS 8 6.661 31.139 21.207 1.00 0.00 ATOM 63 NE2 HIS 8 6.336 30.338 20.204 1.00 0.00 ATOM 64 O HIS 8 10.618 30.400 21.403 1.00 0.00 ATOM 65 C HIS 8 10.944 30.830 20.296 1.00 0.00 ATOM 66 N ILE 9 11.726 30.165 19.454 1.00 0.00 ATOM 67 CA ILE 9 12.324 28.875 19.775 1.00 0.00 ATOM 68 CB ILE 9 13.149 28.332 18.575 1.00 0.00 ATOM 69 CG1 ILE 9 12.205 27.882 17.428 1.00 0.00 ATOM 70 CG2 ILE 9 14.015 27.171 19.003 1.00 0.00 ATOM 71 CD1 ILE 9 12.928 27.451 16.128 1.00 0.00 ATOM 72 O ILE 9 13.107 28.183 21.907 1.00 0.00 ATOM 73 C ILE 9 13.201 28.987 20.994 1.00 0.00 ATOM 74 N LEU 10 14.040 30.015 21.016 1.00 0.00 ATOM 75 CA LEU 10 14.932 30.254 22.131 1.00 0.00 ATOM 76 CB LEU 10 15.806 31.467 21.826 1.00 0.00 ATOM 77 CG LEU 10 16.696 31.956 22.947 1.00 0.00 ATOM 78 CD1 LEU 10 17.579 30.808 23.462 1.00 0.00 ATOM 79 CD2 LEU 10 17.484 33.128 22.473 1.00 0.00 ATOM 80 O LEU 10 14.487 29.884 24.428 1.00 0.00 ATOM 81 C LEU 10 14.181 30.487 23.409 1.00 0.00 ATOM 82 N GLU 11 13.180 31.347 23.349 1.00 0.00 ATOM 83 CA GLU 11 12.345 31.620 24.496 1.00 0.00 ATOM 84 CB GLU 11 11.216 32.583 24.111 1.00 0.00 ATOM 85 CG GLU 11 10.427 33.103 25.303 1.00 0.00 ATOM 86 CD GLU 11 9.362 34.137 24.919 1.00 0.00 ATOM 87 OE1 GLU 11 9.701 35.336 24.651 1.00 0.00 ATOM 88 OE2 GLU 11 8.173 33.736 24.904 1.00 0.00 ATOM 89 O GLU 11 11.681 30.170 26.297 1.00 0.00 ATOM 90 C GLU 11 11.759 30.338 25.066 1.00 0.00 ATOM 91 N ASP 12 11.317 29.442 24.184 1.00 0.00 ATOM 92 CA ASP 12 10.745 28.147 24.634 1.00 0.00 ATOM 93 CB ASP 12 9.999 27.432 23.500 1.00 0.00 ATOM 94 CG ASP 12 8.740 28.146 23.090 1.00 0.00 ATOM 95 OD1 ASP 12 8.173 28.867 23.935 1.00 0.00 ATOM 96 OD2 ASP 12 8.323 27.996 21.916 1.00 0.00 ATOM 97 O ASP 12 11.380 26.225 25.965 1.00 0.00 ATOM 98 C ASP 12 11.768 27.174 25.252 1.00 0.00 ATOM 99 N MET 13 13.058 27.404 24.987 1.00 0.00 ATOM 100 CA MET 13 14.146 26.664 25.665 1.00 0.00 ATOM 101 CB MET 13 15.490 26.993 25.011 1.00 0.00 ATOM 102 CG MET 13 15.609 26.358 23.655 1.00 0.00 ATOM 103 SD MET 13 17.199 26.766 22.720 1.00 0.00 ATOM 104 CE MET 13 16.552 26.124 21.030 1.00 0.00 ATOM 105 O MET 13 14.824 26.144 27.894 1.00 0.00 ATOM 106 C MET 13 14.209 26.920 27.173 1.00 0.00 ATOM 107 N LYS 14 13.634 28.042 27.605 1.00 0.00 ATOM 108 CA LYS 14 13.435 28.417 29.011 1.00 0.00 ATOM 109 CB LYS 14 12.656 27.317 29.727 1.00 0.00 ATOM 110 CG LYS 14 11.175 27.194 29.256 1.00 0.00 ATOM 111 O LYS 14 14.645 29.650 30.726 1.00 0.00 ATOM 112 C LYS 14 14.705 28.820 29.812 1.00 0.00 ATOM 113 N VAL 15 15.837 28.220 29.472 1.00 0.00 ATOM 114 CA VAL 15 17.052 28.314 30.259 1.00 0.00 ATOM 115 CB VAL 15 17.188 27.098 31.204 1.00 0.00 ATOM 116 CG1 VAL 15 18.578 26.989 31.723 1.00 0.00 ATOM 117 CG2 VAL 15 16.223 27.230 32.360 1.00 0.00 ATOM 118 O VAL 15 18.214 27.608 28.324 1.00 0.00 ATOM 119 C VAL 15 18.221 28.327 29.302 1.00 0.00 ATOM 120 N GLY 16 19.216 29.157 29.587 1.00 0.00 ATOM 121 CA GLY 16 20.473 29.151 28.850 1.00 0.00 ATOM 122 O GLY 16 21.465 29.477 30.989 1.00 0.00 ATOM 123 C GLY 16 21.632 29.211 29.807 1.00 0.00 ATOM 124 N VAL 17 22.815 28.937 29.304 1.00 0.00 ATOM 125 CA VAL 17 24.026 29.129 30.082 1.00 0.00 ATOM 126 CB VAL 17 25.051 27.957 29.892 1.00 0.00 ATOM 127 CG1 VAL 17 26.438 28.293 30.528 1.00 0.00 ATOM 128 CG2 VAL 17 24.527 26.702 30.461 1.00 0.00 ATOM 129 O VAL 17 24.728 30.687 28.400 1.00 0.00 ATOM 130 C VAL 17 24.566 30.471 29.603 1.00 0.00 ATOM 131 N PHE 18 24.777 31.379 30.542 1.00 0.00 ATOM 132 CA PHE 18 25.343 32.702 30.251 1.00 0.00 ATOM 133 CB PHE 18 24.455 33.809 30.887 1.00 0.00 ATOM 134 CG PHE 18 23.078 33.904 30.262 1.00 0.00 ATOM 135 CD1 PHE 18 22.123 32.969 30.537 1.00 0.00 ATOM 136 CD2 PHE 18 22.762 34.912 29.382 1.00 0.00 ATOM 137 CE1 PHE 18 20.847 33.036 29.971 1.00 0.00 ATOM 138 CE2 PHE 18 21.503 34.975 28.804 1.00 0.00 ATOM 139 CZ PHE 18 20.563 34.022 29.088 1.00 0.00 ATOM 140 O PHE 18 27.001 32.573 31.959 1.00 0.00 ATOM 141 C PHE 18 26.774 32.827 30.783 1.00 0.00 ATOM 142 N ALA 19 27.700 33.196 29.890 1.00 0.00 ATOM 143 CA ALA 19 29.129 33.389 30.206 1.00 0.00 ATOM 144 CB ALA 19 30.049 32.697 29.165 1.00 0.00 ATOM 145 O ALA 19 29.172 35.562 29.229 1.00 0.00 ATOM 146 C ALA 19 29.449 34.862 30.214 1.00 0.00 ATOM 147 N THR 20 30.023 35.303 31.327 1.00 0.00 ATOM 148 CA THR 20 30.385 36.669 31.571 1.00 0.00 ATOM 149 CB THR 20 29.407 37.296 32.601 1.00 0.00 ATOM 150 CG2 THR 20 28.028 37.485 31.963 1.00 0.00 ATOM 151 OG1 THR 20 29.372 36.503 33.823 1.00 0.00 ATOM 152 O THR 20 32.493 35.793 32.407 1.00 0.00 ATOM 153 C THR 20 31.848 36.789 32.096 1.00 0.00 ATOM 154 N LEU 21 32.329 38.028 32.247 1.00 0.00 ATOM 155 CA LEU 21 33.706 38.304 32.661 1.00 0.00 ATOM 156 CB LEU 21 34.415 39.128 31.566 1.00 0.00 ATOM 157 CG LEU 21 34.333 38.565 30.124 1.00 0.00 ATOM 158 CD1 LEU 21 34.920 39.542 29.101 1.00 0.00 ATOM 159 CD2 LEU 21 35.030 37.195 30.016 1.00 0.00 ATOM 160 O LEU 21 32.974 39.929 34.243 1.00 0.00 ATOM 161 C LEU 21 33.768 39.047 33.974 1.00 0.00 ATOM 162 N ASP 22 34.721 38.688 34.809 1.00 0.00 ATOM 163 CA ASP 22 34.985 39.474 35.972 1.00 0.00 ATOM 164 CB ASP 22 35.378 38.599 37.136 1.00 0.00 ATOM 165 CG ASP 22 36.699 37.927 36.952 1.00 0.00 ATOM 166 OD1 ASP 22 37.537 38.390 36.159 1.00 0.00 ATOM 167 OD2 ASP 22 36.905 36.917 37.647 1.00 0.00 ATOM 168 O ASP 22 36.312 40.819 34.462 1.00 0.00 ATOM 169 C ASP 22 36.012 40.580 35.633 1.00 0.00 ATOM 170 N GLU 23 36.471 41.283 36.656 1.00 0.00 ATOM 171 CA GLU 23 37.287 42.493 36.492 1.00 0.00 ATOM 172 CB GLU 23 37.285 43.331 37.803 1.00 0.00 ATOM 173 CG GLU 23 37.963 42.738 39.024 1.00 0.00 ATOM 174 CD GLU 23 37.089 41.813 39.884 1.00 0.00 ATOM 175 OE1 GLU 23 36.132 41.169 39.387 1.00 0.00 ATOM 176 OE2 GLU 23 37.400 41.716 41.076 1.00 0.00 ATOM 177 O GLU 23 39.490 43.017 35.654 1.00 0.00 ATOM 178 C GLU 23 38.716 42.152 36.051 1.00 0.00 ATOM 179 N TYR 24 39.057 40.880 36.167 1.00 0.00 ATOM 180 CA TYR 24 40.317 40.376 35.714 1.00 0.00 ATOM 181 CB TYR 24 40.801 39.320 36.676 1.00 0.00 ATOM 182 CG TYR 24 40.916 39.792 38.084 1.00 0.00 ATOM 183 CD1 TYR 24 41.763 40.847 38.416 1.00 0.00 ATOM 184 CD2 TYR 24 40.201 39.179 39.101 1.00 0.00 ATOM 185 CE1 TYR 24 41.885 41.281 39.726 1.00 0.00 ATOM 186 CE2 TYR 24 40.322 39.605 40.421 1.00 0.00 ATOM 187 CZ TYR 24 41.166 40.648 40.720 1.00 0.00 ATOM 188 OH TYR 24 41.277 41.059 42.024 1.00 0.00 ATOM 189 O TYR 24 41.121 39.198 33.848 1.00 0.00 ATOM 190 C TYR 24 40.173 39.748 34.353 1.00 0.00 ATOM 191 N GLY 25 38.987 39.750 33.783 1.00 0.00 ATOM 192 CA GLY 25 38.768 39.130 32.465 1.00 0.00 ATOM 193 O GLY 25 38.446 37.007 31.464 1.00 0.00 ATOM 194 C GLY 25 38.562 37.642 32.506 1.00 0.00 ATOM 195 N ASN 26 38.520 37.081 33.711 1.00 0.00 ATOM 196 CA ASN 26 38.283 35.661 33.907 1.00 0.00 ATOM 197 CB ASN 26 38.443 35.262 35.381 1.00 0.00 ATOM 198 CG ASN 26 39.840 35.463 35.928 1.00 0.00 ATOM 199 ND2 ASN 26 39.932 35.602 37.257 1.00 0.00 ATOM 200 OD1 ASN 26 40.825 35.451 35.203 1.00 0.00 ATOM 201 O ASN 26 35.934 36.021 33.829 1.00 0.00 ATOM 202 C ASN 26 36.868 35.306 33.515 1.00 0.00 ATOM 203 N PRO 27 36.691 34.155 32.871 1.00 0.00 ATOM 204 CA PRO 27 35.338 33.742 32.485 1.00 0.00 ATOM 205 CB PRO 27 35.584 32.740 31.386 1.00 0.00 ATOM 206 CG PRO 27 36.912 32.123 31.760 1.00 0.00 ATOM 207 CD PRO 27 37.715 33.160 32.476 1.00 0.00 ATOM 208 O PRO 27 35.190 32.307 34.361 1.00 0.00 ATOM 209 C PRO 27 34.591 33.049 33.598 1.00 0.00 ATOM 210 N HIS 28 33.279 33.269 33.610 1.00 0.00 ATOM 211 CA HIS 28 32.324 32.647 34.518 1.00 0.00 ATOM 212 CB HIS 28 31.963 33.603 35.664 1.00 0.00 ATOM 213 CG HIS 28 33.149 34.071 36.458 1.00 0.00 ATOM 214 CD2 HIS 28 33.960 35.145 36.285 1.00 0.00 ATOM 215 ND1 HIS 28 33.637 33.390 37.553 1.00 0.00 ATOM 216 CE1 HIS 28 34.702 34.021 38.024 1.00 0.00 ATOM 217 NE2 HIS 28 34.903 35.103 37.280 1.00 0.00 ATOM 218 O HIS 28 30.807 32.914 32.710 1.00 0.00 ATOM 219 C HIS 28 31.088 32.273 33.709 1.00 0.00 ATOM 220 N ALA 29 30.439 31.170 34.068 1.00 0.00 ATOM 221 CA ALA 29 29.288 30.635 33.313 1.00 0.00 ATOM 222 CB ALA 29 29.740 29.683 32.185 1.00 0.00 ATOM 223 O ALA 29 28.692 29.215 35.223 1.00 0.00 ATOM 224 C ALA 29 28.299 29.953 34.285 1.00 0.00 ATOM 225 N ARG 30 27.023 30.284 34.096 1.00 0.00 ATOM 226 CA ARG 30 25.920 29.706 34.874 1.00 0.00 ATOM 227 CB ARG 30 25.695 30.426 36.230 1.00 0.00 ATOM 228 CG ARG 30 24.875 31.689 36.144 1.00 0.00 ATOM 229 CD ARG 30 25.589 32.751 35.343 1.00 0.00 ATOM 230 NE ARG 30 26.657 33.368 36.113 1.00 0.00 ATOM 231 CZ ARG 30 27.636 34.141 35.635 1.00 0.00 ATOM 232 NH1 ARG 30 27.844 34.328 34.360 1.00 0.00 ATOM 233 NH2 ARG 30 28.475 34.700 36.489 1.00 0.00 ATOM 234 O ARG 30 24.426 30.442 33.122 1.00 0.00 ATOM 235 C ARG 30 24.615 29.671 34.078 1.00 0.00 ATOM 236 N HIS 31 23.728 28.758 34.491 1.00 0.00 ATOM 237 CA HIS 31 22.358 28.722 33.964 1.00 0.00 ATOM 238 CB HIS 31 21.645 27.418 34.327 1.00 0.00 ATOM 239 CG HIS 31 22.240 26.200 33.684 1.00 0.00 ATOM 240 CD2 HIS 31 22.005 25.621 32.485 1.00 0.00 ATOM 241 ND1 HIS 31 23.214 25.434 34.293 1.00 0.00 ATOM 242 CE1 HIS 31 23.570 24.453 33.486 1.00 0.00 ATOM 243 NE2 HIS 31 22.847 24.540 32.385 1.00 0.00 ATOM 244 O HIS 31 21.565 30.200 35.708 1.00 0.00 ATOM 245 C HIS 31 21.547 29.890 34.498 1.00 0.00 ATOM 246 N ALA 32 20.762 30.484 33.626 1.00 0.00 ATOM 247 CA ALA 32 19.790 31.478 34.051 1.00 0.00 ATOM 248 CB ALA 32 20.366 32.883 33.884 1.00 0.00 ATOM 249 O ALA 32 18.644 30.956 32.012 1.00 0.00 ATOM 250 C ALA 32 18.553 31.318 33.190 1.00 0.00 ATOM 251 N HIS 33 17.411 31.639 33.777 1.00 0.00 ATOM 252 CA HIS 33 16.144 31.614 33.072 1.00 0.00 ATOM 253 CB HIS 33 15.014 31.828 34.071 1.00 0.00 ATOM 254 CG HIS 33 13.661 31.574 33.498 1.00 0.00 ATOM 255 CD2 HIS 33 12.733 32.424 32.987 1.00 0.00 ATOM 256 ND1 HIS 33 13.134 30.304 33.378 1.00 0.00 ATOM 257 CE1 HIS 33 11.937 30.385 32.819 1.00 0.00 ATOM 258 NE2 HIS 33 11.672 31.658 32.571 1.00 0.00 ATOM 259 O HIS 33 16.470 33.819 32.120 1.00 0.00 ATOM 260 C HIS 33 16.072 32.667 31.947 1.00 0.00 ATOM 261 N ILE 34 15.608 32.255 30.777 1.00 0.00 ATOM 262 CA ILE 34 15.312 33.206 29.709 1.00 0.00 ATOM 263 CB ILE 34 15.361 32.504 28.347 1.00 0.00 ATOM 264 CG1 ILE 34 16.769 32.016 28.036 1.00 0.00 ATOM 265 CG2 ILE 34 14.904 33.414 27.248 1.00 0.00 ATOM 266 CD1 ILE 34 16.783 30.994 26.933 1.00 0.00 ATOM 267 O ILE 34 12.932 33.059 29.725 1.00 0.00 ATOM 268 C ILE 34 13.906 33.747 29.957 1.00 0.00 ATOM 269 N THR 35 13.795 34.966 30.461 1.00 0.00 ATOM 270 CA THR 35 12.489 35.549 30.735 1.00 0.00 ATOM 271 CB THR 35 12.589 36.810 31.630 1.00 0.00 ATOM 272 CG2 THR 35 12.530 36.425 33.112 1.00 0.00 ATOM 273 OG1 THR 35 13.826 37.481 31.374 1.00 0.00 ATOM 274 O THR 35 10.533 35.718 29.393 1.00 0.00 ATOM 275 C THR 35 11.738 35.861 29.447 1.00 0.00 ATOM 276 N ALA 36 12.441 36.290 28.411 1.00 0.00 ATOM 277 CA ALA 36 11.795 36.509 27.124 1.00 0.00 ATOM 278 CB ALA 36 10.961 37.808 27.142 1.00 0.00 ATOM 279 O ALA 36 13.996 36.813 26.348 1.00 0.00 ATOM 280 C ALA 36 12.844 36.571 26.055 1.00 0.00 ATOM 281 N ALA 37 12.450 36.355 24.814 1.00 0.00 ATOM 282 CA ALA 37 13.379 36.514 23.697 1.00 0.00 ATOM 283 CB ALA 37 14.232 35.282 23.553 1.00 0.00 ATOM 284 O ALA 37 11.703 36.099 22.050 1.00 0.00 ATOM 285 C ALA 37 12.610 36.825 22.416 1.00 0.00 ATOM 286 N ASN 38 12.982 37.906 21.735 1.00 0.00 ATOM 287 CA ASN 38 12.245 38.379 20.565 1.00 0.00 ATOM 288 CB ASN 38 11.039 39.190 21.041 1.00 0.00 ATOM 289 CG ASN 38 11.410 40.242 22.064 1.00 0.00 ATOM 290 ND2 ASN 38 10.820 40.156 23.243 1.00 0.00 ATOM 291 OD1 ASN 38 12.225 41.118 21.794 1.00 0.00 ATOM 292 O ASN 38 14.332 39.279 19.852 1.00 0.00 ATOM 293 C ASN 38 13.141 39.214 19.649 1.00 0.00 ATOM 294 N GLU 39 12.593 39.881 18.653 1.00 0.00 ATOM 295 CA GLU 39 13.429 40.682 17.763 1.00 0.00 ATOM 296 CB GLU 39 12.587 41.360 16.691 1.00 0.00 ATOM 297 CG GLU 39 11.820 40.408 15.840 1.00 0.00 ATOM 298 CD GLU 39 10.970 41.118 14.809 1.00 0.00 ATOM 299 OE1 GLU 39 10.149 41.973 15.204 1.00 0.00 ATOM 300 OE2 GLU 39 11.128 40.792 13.614 1.00 0.00 ATOM 301 O GLU 39 15.242 42.210 17.951 1.00 0.00 ATOM 302 C GLU 39 14.239 41.749 18.479 1.00 0.00 ATOM 303 N GLU 40 13.818 42.142 19.676 1.00 0.00 ATOM 304 CA GLU 40 14.515 43.177 20.401 1.00 0.00 ATOM 305 CB GLU 40 13.595 43.931 21.358 1.00 0.00 ATOM 306 CG GLU 40 12.341 44.501 20.719 1.00 0.00 ATOM 307 CD GLU 40 12.629 45.252 19.450 1.00 0.00 ATOM 308 OE1 GLU 40 13.605 46.053 19.423 1.00 0.00 ATOM 309 OE2 GLU 40 11.870 45.036 18.478 1.00 0.00 ATOM 310 O GLU 40 16.513 43.402 21.604 1.00 0.00 ATOM 311 C GLU 40 15.657 42.637 21.194 1.00 0.00 ATOM 312 N GLY 41 15.699 41.330 21.406 1.00 0.00 ATOM 313 CA GLY 41 16.801 40.734 22.151 1.00 0.00 ATOM 314 O GLY 41 15.271 39.148 23.050 1.00 0.00 ATOM 315 C GLY 41 16.386 39.656 23.116 1.00 0.00 ATOM 316 N ILE 42 17.322 39.304 23.992 1.00 0.00 ATOM 317 CA ILE 42 17.177 38.238 24.948 1.00 0.00 ATOM 318 CB ILE 42 18.340 37.228 24.812 1.00 0.00 ATOM 319 CG1 ILE 42 18.350 36.639 23.391 1.00 0.00 ATOM 320 CG2 ILE 42 18.263 36.189 25.949 1.00 0.00 ATOM 321 CD1 ILE 42 19.645 35.963 22.912 1.00 0.00 ATOM 322 O ILE 42 18.114 39.529 26.728 1.00 0.00 ATOM 323 C ILE 42 17.189 38.836 26.360 1.00 0.00 ATOM 324 N PHE 43 16.153 38.533 27.141 1.00 0.00 ATOM 325 CA PHE 43 15.958 39.081 28.465 1.00 0.00 ATOM 326 CB PHE 43 14.594 39.730 28.558 1.00 0.00 ATOM 327 CG PHE 43 14.375 40.832 27.544 1.00 0.00 ATOM 328 CD1 PHE 43 14.028 40.535 26.242 1.00 0.00 ATOM 329 CD2 PHE 43 14.550 42.173 27.892 1.00 0.00 ATOM 330 CE1 PHE 43 13.841 41.552 25.306 1.00 0.00 ATOM 331 CE2 PHE 43 14.353 43.180 26.965 1.00 0.00 ATOM 332 CZ PHE 43 14.003 42.868 25.677 1.00 0.00 ATOM 333 O PHE 43 15.628 36.876 29.408 1.00 0.00 ATOM 334 C PHE 43 16.095 38.014 29.541 1.00 0.00 ATOM 335 N PHE 44 16.737 38.409 30.624 1.00 0.00 ATOM 336 CA PHE 44 16.985 37.526 31.728 1.00 0.00 ATOM 337 CB PHE 44 18.237 36.670 31.494 1.00 0.00 ATOM 338 CG PHE 44 19.495 37.444 31.307 1.00 0.00 ATOM 339 CD1 PHE 44 19.848 37.922 30.059 1.00 0.00 ATOM 340 CD2 PHE 44 20.354 37.651 32.351 1.00 0.00 ATOM 341 CE1 PHE 44 21.018 38.627 29.873 1.00 0.00 ATOM 342 CE2 PHE 44 21.528 38.338 32.151 1.00 0.00 ATOM 343 CZ PHE 44 21.858 38.816 30.903 1.00 0.00 ATOM 344 O PHE 44 17.111 39.565 32.894 1.00 0.00 ATOM 345 C PHE 44 17.070 38.362 32.975 1.00 0.00 ATOM 346 N MET 45 17.041 37.716 34.124 1.00 0.00 ATOM 347 CA MET 45 17.087 38.425 35.383 1.00 0.00 ATOM 348 CB MET 45 15.807 38.220 36.132 1.00 0.00 ATOM 349 CG MET 45 14.601 38.844 35.526 1.00 0.00 ATOM 350 SD MET 45 13.253 38.473 36.847 1.00 0.00 ATOM 351 CE MET 45 12.268 40.197 36.832 1.00 0.00 ATOM 352 O MET 45 18.598 36.734 36.178 1.00 0.00 ATOM 353 C MET 45 18.189 37.902 36.277 1.00 0.00 ATOM 354 N THR 46 18.656 38.776 37.160 1.00 0.00 ATOM 355 CA THR 46 19.497 38.362 38.242 1.00 0.00 ATOM 356 CB THR 46 21.020 38.100 37.841 1.00 0.00 ATOM 357 CG2 THR 46 21.666 39.280 37.095 1.00 0.00 ATOM 358 OG1 THR 46 21.788 37.716 39.021 1.00 0.00 ATOM 359 O THR 46 18.688 40.345 39.184 1.00 0.00 ATOM 360 C THR 46 19.354 39.352 39.328 1.00 0.00 ATOM 361 N SER 47 19.944 39.044 40.453 1.00 0.00 ATOM 362 CA SER 47 19.796 39.871 41.602 1.00 0.00 ATOM 363 CB SER 47 19.479 38.952 42.774 1.00 0.00 ATOM 364 OG SER 47 19.565 39.665 43.968 1.00 0.00 ATOM 365 O SER 47 22.153 40.272 41.600 1.00 0.00 ATOM 366 C SER 47 21.055 40.716 41.846 1.00 0.00 ATOM 367 N PRO 48 20.893 41.944 42.347 1.00 0.00 ATOM 368 CA PRO 48 22.020 42.737 42.838 1.00 0.00 ATOM 369 CB PRO 48 21.338 43.856 43.647 1.00 0.00 ATOM 370 CG PRO 48 20.003 44.020 42.998 1.00 0.00 ATOM 371 CD PRO 48 19.611 42.653 42.485 1.00 0.00 ATOM 372 O PRO 48 22.374 40.989 44.380 1.00 0.00 ATOM 373 C PRO 48 22.874 41.935 43.787 1.00 0.00 ATOM 374 N GLU 49 24.139 42.291 43.965 1.00 0.00 ATOM 375 CA GLU 49 24.963 41.548 44.925 1.00 0.00 ATOM 376 CB GLU 49 24.418 41.726 46.365 1.00 0.00 ATOM 377 O GLU 49 25.426 39.196 45.360 1.00 0.00 ATOM 378 C GLU 49 25.123 40.036 44.544 1.00 0.00 ATOM 379 N THR 50 24.916 39.673 43.296 1.00 0.00 ATOM 380 CA THR 50 25.405 38.394 42.861 1.00 0.00 ATOM 381 CB THR 50 24.359 37.593 42.080 1.00 0.00 ATOM 382 CG2 THR 50 23.152 37.374 42.933 1.00 0.00 ATOM 383 OG1 THR 50 23.981 38.333 40.913 1.00 0.00 ATOM 384 O THR 50 26.614 39.831 41.360 1.00 0.00 ATOM 385 C THR 50 26.548 38.725 41.939 1.00 0.00 ATOM 386 N HIS 51 27.402 37.730 41.743 1.00 0.00 ATOM 387 CA HIS 51 28.554 37.884 40.907 1.00 0.00 ATOM 388 CB HIS 51 29.485 36.670 41.072 1.00 0.00 ATOM 389 CG HIS 51 29.910 36.430 42.498 1.00 0.00 ATOM 390 CD2 HIS 51 29.860 35.320 43.266 1.00 0.00 ATOM 391 ND1 HIS 51 30.525 37.392 43.256 1.00 0.00 ATOM 392 CE1 HIS 51 30.796 36.905 44.457 1.00 0.00 ATOM 393 NE2 HIS 51 30.395 35.648 44.494 1.00 0.00 ATOM 394 O HIS 51 28.711 38.865 38.771 1.00 0.00 ATOM 395 C HIS 51 28.102 38.067 39.492 1.00 0.00 ATOM 396 N PHE 52 27.049 37.336 39.080 1.00 0.00 ATOM 397 CA PHE 52 26.519 37.474 37.670 1.00 0.00 ATOM 398 CB PHE 52 25.256 36.602 37.533 1.00 0.00 ATOM 399 CG PHE 52 24.672 36.475 36.172 1.00 0.00 ATOM 400 CD1 PHE 52 25.384 36.688 35.022 1.00 0.00 ATOM 401 CD2 PHE 52 23.384 36.006 36.055 1.00 0.00 ATOM 402 CE1 PHE 52 24.795 36.493 33.790 1.00 0.00 ATOM 403 CE2 PHE 52 22.832 35.788 34.835 1.00 0.00 ATOM 404 CZ PHE 52 23.514 36.040 33.723 1.00 0.00 ATOM 405 O PHE 52 26.690 39.576 36.536 1.00 0.00 ATOM 406 C PHE 52 26.236 38.964 37.492 1.00 0.00 ATOM 407 N TYR 53 25.580 39.565 38.500 1.00 0.00 ATOM 408 CA TYR 53 25.149 40.974 38.390 1.00 0.00 ATOM 409 CB TYR 53 24.261 41.341 39.585 1.00 0.00 ATOM 410 CG TYR 53 23.830 42.798 39.712 1.00 0.00 ATOM 411 CD1 TYR 53 24.636 43.731 40.327 1.00 0.00 ATOM 412 CD2 TYR 53 22.580 43.223 39.253 1.00 0.00 ATOM 413 CE1 TYR 53 24.218 45.055 40.494 1.00 0.00 ATOM 414 CE2 TYR 53 22.170 44.547 39.385 1.00 0.00 ATOM 415 CZ TYR 53 22.994 45.461 39.999 1.00 0.00 ATOM 416 OH TYR 53 22.580 46.782 40.155 1.00 0.00 ATOM 417 O TYR 53 26.477 42.735 37.438 1.00 0.00 ATOM 418 C TYR 53 26.356 41.892 38.325 1.00 0.00 ATOM 419 N ASP 54 27.262 41.713 39.279 1.00 0.00 ATOM 420 CA ASP 54 28.515 42.456 39.271 1.00 0.00 ATOM 421 CB ASP 54 29.414 41.910 40.314 1.00 0.00 ATOM 422 CG ASP 54 28.953 42.272 41.683 1.00 0.00 ATOM 423 OD1 ASP 54 27.847 42.880 41.737 1.00 0.00 ATOM 424 OD2 ASP 54 29.685 41.952 42.653 1.00 0.00 ATOM 425 O ASP 54 29.743 43.341 37.445 1.00 0.00 ATOM 426 C ASP 54 29.242 42.355 37.961 1.00 0.00 ATOM 427 N GLN 55 29.344 41.150 37.458 1.00 0.00 ATOM 428 CA GLN 55 30.120 40.953 36.222 1.00 0.00 ATOM 429 CB GLN 55 30.255 39.469 35.925 1.00 0.00 ATOM 430 CG GLN 55 31.272 38.793 36.868 1.00 0.00 ATOM 431 CD GLN 55 31.027 37.328 37.056 1.00 0.00 ATOM 432 OE1 GLN 55 30.478 36.689 36.171 1.00 0.00 ATOM 433 NE2 GLN 55 31.400 36.786 38.220 1.00 0.00 ATOM 434 O GLN 55 30.163 42.459 34.398 1.00 0.00 ATOM 435 C GLN 55 29.488 41.709 35.096 1.00 0.00 ATOM 436 N LEU 56 28.180 41.540 34.925 1.00 0.00 ATOM 437 CA LEU 56 27.456 42.203 33.797 1.00 0.00 ATOM 438 CB LEU 56 25.973 41.809 33.797 1.00 0.00 ATOM 439 CG LEU 56 25.625 40.392 33.373 1.00 0.00 ATOM 440 CD1 LEU 56 24.235 40.025 33.839 1.00 0.00 ATOM 441 CD2 LEU 56 25.783 40.312 31.850 1.00 0.00 ATOM 442 O LEU 56 27.729 44.443 32.946 1.00 0.00 ATOM 443 C LEU 56 27.558 43.712 33.925 1.00 0.00 ATOM 444 N MET 57 27.480 44.186 35.156 1.00 0.00 ATOM 445 CA MET 57 27.559 45.613 35.364 1.00 0.00 ATOM 446 CB MET 57 27.169 45.995 36.794 1.00 0.00 ATOM 447 CG MET 57 25.691 45.826 37.119 1.00 0.00 ATOM 448 SD MET 57 24.490 46.949 36.037 1.00 0.00 ATOM 449 CE MET 57 24.914 48.554 37.078 1.00 0.00 ATOM 450 O MET 57 29.091 47.274 34.662 1.00 0.00 ATOM 451 C MET 57 28.947 46.127 35.062 1.00 0.00 ATOM 452 N GLY 58 29.967 45.298 35.269 1.00 0.00 ATOM 453 CA GLY 58 31.333 45.744 35.040 1.00 0.00 ATOM 454 O GLY 58 32.637 46.294 33.106 1.00 0.00 ATOM 455 C GLY 58 31.769 45.589 33.595 1.00 0.00 ATOM 456 N ASP 59 31.139 44.683 32.888 1.00 0.00 ATOM 457 CA ASP 59 31.525 44.385 31.543 1.00 0.00 ATOM 458 CB ASP 59 32.673 43.381 31.599 1.00 0.00 ATOM 459 CG ASP 59 33.335 43.142 30.235 1.00 0.00 ATOM 460 OD1 ASP 59 32.670 43.294 29.183 1.00 0.00 ATOM 461 OD2 ASP 59 34.544 42.806 30.249 1.00 0.00 ATOM 462 O ASP 59 29.839 42.710 31.203 1.00 0.00 ATOM 463 C ASP 59 30.320 43.777 30.825 1.00 0.00 ATOM 464 N GLN 60 29.861 44.453 29.783 1.00 0.00 ATOM 465 CA GLN 60 28.653 44.072 29.063 1.00 0.00 ATOM 466 CB GLN 60 28.256 45.200 28.131 1.00 0.00 ATOM 467 CG GLN 60 27.705 46.414 28.840 1.00 0.00 ATOM 468 CD GLN 60 26.844 47.287 27.912 1.00 0.00 ATOM 469 OE1 GLN 60 26.884 47.104 26.656 1.00 0.00 ATOM 470 NE2 GLN 60 26.068 48.268 28.518 1.00 0.00 ATOM 471 O GLN 60 27.733 42.303 27.712 1.00 0.00 ATOM 472 C GLN 60 28.762 42.828 28.222 1.00 0.00 ATOM 473 N ARG 61 30.001 42.379 28.004 1.00 0.00 ATOM 474 CA ARG 61 30.235 41.290 27.060 1.00 0.00 ATOM 475 CB ARG 61 31.721 41.148 26.742 1.00 0.00 ATOM 476 CG ARG 61 32.234 42.259 25.859 1.00 0.00 ATOM 477 CD ARG 61 33.718 42.145 25.638 1.00 0.00 ATOM 478 NE ARG 61 34.493 42.403 26.817 1.00 0.00 ATOM 479 CZ ARG 61 35.796 42.160 26.916 1.00 0.00 ATOM 480 NH1 ARG 61 36.498 41.662 25.909 1.00 0.00 ATOM 481 NH2 ARG 61 36.412 42.442 28.034 1.00 0.00 ATOM 482 O ARG 61 29.912 39.594 28.735 1.00 0.00 ATOM 483 C ARG 61 29.674 39.994 27.573 1.00 0.00 ATOM 484 N VAL 62 28.878 39.351 26.732 1.00 0.00 ATOM 485 CA VAL 62 28.268 38.091 27.171 1.00 0.00 ATOM 486 CB VAL 62 26.827 38.353 27.799 1.00 0.00 ATOM 487 CG1 VAL 62 25.848 38.875 26.720 1.00 0.00 ATOM 488 CG2 VAL 62 26.297 37.117 28.431 1.00 0.00 ATOM 489 O VAL 62 28.118 37.442 24.851 1.00 0.00 ATOM 490 C VAL 62 28.233 37.076 26.040 1.00 0.00 ATOM 491 N ALA 63 28.380 35.794 26.382 1.00 0.00 ATOM 492 CA ALA 63 28.067 34.698 25.431 1.00 0.00 ATOM 493 CB ALA 63 29.303 33.846 25.121 1.00 0.00 ATOM 494 O ALA 63 26.957 33.612 27.243 1.00 0.00 ATOM 495 C ALA 63 26.970 33.826 26.052 1.00 0.00 ATOM 496 N MET 64 26.044 33.317 25.251 1.00 0.00 ATOM 497 CA MET 64 25.009 32.435 25.825 1.00 0.00 ATOM 498 CB MET 64 23.680 33.176 25.901 1.00 0.00 ATOM 499 CG MET 64 22.505 32.349 26.540 1.00 0.00 ATOM 500 SD MET 64 20.845 32.732 25.602 1.00 0.00 ATOM 501 CE MET 64 21.364 32.011 23.820 1.00 0.00 ATOM 502 O MET 64 24.875 31.345 23.724 1.00 0.00 ATOM 503 C MET 64 24.841 31.220 24.938 1.00 0.00 ATOM 504 N THR 65 24.645 30.051 25.536 1.00 0.00 ATOM 505 CA THR 65 24.210 28.903 24.758 1.00 0.00 ATOM 506 CB THR 65 25.359 27.874 24.566 1.00 0.00 ATOM 507 CG2 THR 65 24.925 26.734 23.644 1.00 0.00 ATOM 508 OG1 THR 65 26.491 28.558 24.007 1.00 0.00 ATOM 509 O THR 65 22.882 28.273 26.651 1.00 0.00 ATOM 510 C THR 65 22.995 28.298 25.417 1.00 0.00 ATOM 511 N ALA 66 22.067 27.870 24.587 1.00 0.00 ATOM 512 CA ALA 66 20.836 27.247 25.059 1.00 0.00 ATOM 513 CB ALA 66 19.650 28.252 25.031 1.00 0.00 ATOM 514 O ALA 66 21.011 26.039 22.991 1.00 0.00 ATOM 515 C ALA 66 20.579 26.059 24.156 1.00 0.00 ATOM 516 N ILE 67 19.873 25.079 24.698 1.00 0.00 ATOM 517 CA ILE 67 19.646 23.806 24.014 1.00 0.00 ATOM 518 CB ILE 67 20.769 22.803 24.326 1.00 0.00 ATOM 519 CG1 ILE 67 20.580 21.504 23.545 1.00 0.00 ATOM 520 CG2 ILE 67 20.824 22.498 25.825 1.00 0.00 ATOM 521 CD1 ILE 67 21.805 20.597 23.611 1.00 0.00 ATOM 522 O ILE 67 17.927 23.374 25.610 1.00 0.00 ATOM 523 C ILE 67 18.301 23.251 24.456 1.00 0.00 ATOM 524 N SER 68 17.550 22.708 23.512 1.00 0.00 ATOM 525 CA SER 68 16.272 22.082 23.799 1.00 0.00 ATOM 526 CB SER 68 15.108 22.827 23.159 1.00 0.00 ATOM 527 OG SER 68 13.850 22.246 23.499 1.00 0.00 ATOM 528 O SER 68 16.651 20.619 22.000 1.00 0.00 ATOM 529 C SER 68 16.337 20.735 23.183 1.00 0.00 ATOM 530 N GLU 69 16.070 19.725 24.012 1.00 0.00 ATOM 531 CA GLU 69 15.648 18.400 23.558 1.00 0.00 ATOM 532 CB GLU 69 16.578 17.326 24.157 1.00 0.00 ATOM 533 CG GLU 69 18.091 17.814 24.140 1.00 0.00 ATOM 534 CD GLU 69 19.100 16.759 24.585 1.00 0.00 ATOM 535 O GLU 69 13.671 17.073 24.017 1.00 0.00 ATOM 536 C GLU 69 14.143 18.203 23.881 1.00 0.00 ATOM 537 N GLU 70 13.393 19.315 23.979 1.00 0.00 ATOM 538 CA GLU 70 11.903 19.273 24.040 1.00 0.00 ATOM 539 CB GLU 70 11.279 20.598 24.550 1.00 0.00 ATOM 540 O GLU 70 11.782 19.400 21.601 1.00 0.00 ATOM 541 C GLU 70 11.332 18.902 22.652 1.00 0.00 ATOM 542 N GLY 71 10.341 18.017 22.666 1.00 0.00 ATOM 543 CA GLY 71 9.852 17.348 21.457 1.00 0.00 ATOM 544 O GLY 71 11.810 15.904 21.447 1.00 0.00 ATOM 545 C GLY 71 10.892 16.438 20.804 1.00 0.00 ATOM 546 N TYR 72 10.767 16.318 19.498 1.00 0.00 ATOM 547 CA TYR 72 11.597 15.442 18.753 1.00 0.00 ATOM 548 CB TYR 72 10.763 14.700 17.711 1.00 0.00 ATOM 549 CG TYR 72 10.349 15.506 16.522 1.00 0.00 ATOM 550 CD1 TYR 72 9.230 16.321 16.588 1.00 0.00 ATOM 551 CD2 TYR 72 11.050 15.427 15.325 1.00 0.00 ATOM 552 CE1 TYR 72 8.823 17.071 15.501 1.00 0.00 ATOM 553 CE2 TYR 72 10.659 16.163 14.226 1.00 0.00 ATOM 554 CZ TYR 72 9.534 16.994 14.315 1.00 0.00 ATOM 555 OH TYR 72 9.101 17.756 13.238 1.00 0.00 ATOM 556 O TYR 72 13.440 15.522 17.361 1.00 0.00 ATOM 557 C TYR 72 12.718 16.151 18.080 1.00 0.00 ATOM 558 N LEU 73 12.867 17.450 18.287 1.00 0.00 ATOM 559 CA LEU 73 13.980 18.172 17.710 1.00 0.00 ATOM 560 CB LEU 73 13.526 19.533 17.183 1.00 0.00 ATOM 561 CG LEU 73 12.593 19.482 15.989 1.00 0.00 ATOM 562 CD1 LEU 73 12.404 20.874 15.440 1.00 0.00 ATOM 563 CD2 LEU 73 13.175 18.566 14.944 1.00 0.00 ATOM 564 O LEU 73 14.796 18.369 19.930 1.00 0.00 ATOM 565 C LEU 73 15.075 18.358 18.737 1.00 0.00 ATOM 566 N ILE 74 16.320 18.482 18.271 1.00 0.00 ATOM 567 CA ILE 74 17.433 18.900 19.132 1.00 0.00 ATOM 568 CB ILE 74 18.657 17.939 19.148 1.00 0.00 ATOM 569 CG1 ILE 74 18.224 16.503 19.478 1.00 0.00 ATOM 570 CG2 ILE 74 19.729 18.476 20.172 1.00 0.00 ATOM 571 CD1 ILE 74 17.931 16.294 20.946 1.00 0.00 ATOM 572 O ILE 74 18.499 20.316 17.548 1.00 0.00 ATOM 573 C ILE 74 17.935 20.224 18.626 1.00 0.00 ATOM 574 N GLN 75 17.734 21.255 19.420 1.00 0.00 ATOM 575 CA GLN 75 17.943 22.599 18.936 1.00 0.00 ATOM 576 CB GLN 75 16.623 23.334 18.940 1.00 0.00 ATOM 577 CG GLN 75 15.739 22.840 17.849 1.00 0.00 ATOM 578 CD GLN 75 14.360 23.386 17.941 1.00 0.00 ATOM 579 OE1 GLN 75 13.636 23.086 18.868 1.00 0.00 ATOM 580 NE2 GLN 75 13.974 24.180 16.962 1.00 0.00 ATOM 581 O GLN 75 18.826 23.288 21.043 1.00 0.00 ATOM 582 C GLN 75 18.943 23.301 19.803 1.00 0.00 ATOM 583 N VAL 76 19.927 23.911 19.143 1.00 0.00 ATOM 584 CA VAL 76 20.982 24.642 19.810 1.00 0.00 ATOM 585 CB VAL 76 22.361 23.963 19.599 1.00 0.00 ATOM 586 CG1 VAL 76 23.427 24.805 20.175 1.00 0.00 ATOM 587 CG2 VAL 76 22.359 22.616 20.260 1.00 0.00 ATOM 588 O VAL 76 20.938 26.293 18.085 1.00 0.00 ATOM 589 C VAL 76 20.996 26.073 19.296 1.00 0.00 ATOM 590 N VAL 77 21.037 27.025 20.235 1.00 0.00 ATOM 591 CA VAL 77 21.266 28.425 19.915 1.00 0.00 ATOM 592 CB VAL 77 20.032 29.343 20.278 1.00 0.00 ATOM 593 CG1 VAL 77 20.337 30.815 20.030 1.00 0.00 ATOM 594 CG2 VAL 77 18.826 28.969 19.477 1.00 0.00 ATOM 595 O VAL 77 22.621 28.650 21.880 1.00 0.00 ATOM 596 C VAL 77 22.500 28.902 20.671 1.00 0.00 ATOM 597 N ARG 78 23.403 29.576 19.948 1.00 0.00 ATOM 598 CA ARG 78 24.564 30.259 20.525 1.00 0.00 ATOM 599 CB ARG 78 25.874 29.667 19.994 1.00 0.00 ATOM 600 CG ARG 78 26.221 28.294 20.575 1.00 0.00 ATOM 601 CD ARG 78 27.493 27.704 19.970 1.00 0.00 ATOM 602 NE ARG 78 28.702 28.433 20.377 1.00 0.00 ATOM 603 CZ ARG 78 29.887 28.282 19.803 1.00 0.00 ATOM 604 NH1 ARG 78 30.038 27.425 18.809 1.00 0.00 ATOM 605 NH2 ARG 78 30.928 28.998 20.212 1.00 0.00 ATOM 606 O ARG 78 24.345 32.079 18.954 1.00 0.00 ATOM 607 C ARG 78 24.533 31.740 20.135 1.00 0.00 ATOM 608 N VAL 79 24.724 32.617 21.120 1.00 0.00 ATOM 609 CA VAL 79 24.735 34.050 20.880 1.00 0.00 ATOM 610 CB VAL 79 23.482 34.734 21.467 1.00 0.00 ATOM 611 CG1 VAL 79 23.596 36.264 21.410 1.00 0.00 ATOM 612 CG2 VAL 79 22.275 34.287 20.713 1.00 0.00 ATOM 613 O VAL 79 26.413 34.262 22.559 1.00 0.00 ATOM 614 C VAL 79 25.985 34.661 21.501 1.00 0.00 ATOM 615 N GLU 80 26.595 35.623 20.807 1.00 0.00 ATOM 616 CA GLU 80 27.666 36.409 21.425 1.00 0.00 ATOM 617 CB GLU 80 28.978 36.148 20.674 1.00 0.00 ATOM 618 CG GLU 80 29.514 34.752 20.929 1.00 0.00 ATOM 619 CD GLU 80 30.581 34.315 19.944 1.00 0.00 ATOM 620 OE1 GLU 80 30.990 35.177 19.125 1.00 0.00 ATOM 621 OE2 GLU 80 31.009 33.120 20.025 1.00 0.00 ATOM 622 O GLU 80 26.952 38.339 20.197 1.00 0.00 ATOM 623 C GLU 80 27.263 37.879 21.295 1.00 0.00 ATOM 624 N GLY 81 27.241 38.610 22.382 1.00 0.00 ATOM 625 CA GLY 81 26.939 40.033 22.247 1.00 0.00 ATOM 626 O GLY 81 28.082 40.531 24.313 1.00 0.00 ATOM 627 C GLY 81 27.164 40.825 23.507 1.00 0.00 ATOM 628 N THR 82 26.323 41.843 23.672 1.00 0.00 ATOM 629 CA THR 82 26.428 42.763 24.810 1.00 0.00 ATOM 630 CB THR 82 26.929 44.171 24.341 1.00 0.00 ATOM 631 CG2 THR 82 28.360 44.130 23.964 1.00 0.00 ATOM 632 OG1 THR 82 26.197 44.577 23.185 1.00 0.00 ATOM 633 O THR 82 24.025 42.982 24.914 1.00 0.00 ATOM 634 C THR 82 25.072 42.873 25.550 1.00 0.00 ATOM 635 N ALA 83 25.124 42.859 26.888 1.00 0.00 ATOM 636 CA ALA 83 23.952 42.993 27.743 1.00 0.00 ATOM 637 CB ALA 83 23.804 41.751 28.688 1.00 0.00 ATOM 638 O ALA 83 25.005 44.747 29.040 1.00 0.00 ATOM 639 C ALA 83 23.963 44.275 28.584 1.00 0.00 ATOM 640 N ARG 84 22.778 44.811 28.818 1.00 0.00 ATOM 641 CA ARG 84 22.606 46.024 29.634 1.00 0.00 ATOM 642 CB ARG 84 22.338 47.236 28.766 1.00 0.00 ATOM 643 CG ARG 84 21.043 47.122 28.017 1.00 0.00 ATOM 644 CD ARG 84 20.871 48.227 27.037 1.00 0.00 ATOM 645 NE ARG 84 19.674 47.999 26.234 1.00 0.00 ATOM 646 CZ ARG 84 19.418 48.559 25.070 1.00 0.00 ATOM 647 NH1 ARG 84 20.246 49.444 24.555 1.00 0.00 ATOM 648 NH2 ARG 84 18.305 48.242 24.421 1.00 0.00 ATOM 649 O ARG 84 20.478 45.089 30.277 1.00 0.00 ATOM 650 C ARG 84 21.439 45.837 30.577 1.00 0.00 ATOM 651 N PRO 85 21.491 46.536 31.720 1.00 0.00 ATOM 652 CA PRO 85 20.331 46.458 32.585 1.00 0.00 ATOM 653 CB PRO 85 20.830 47.079 33.881 1.00 0.00 ATOM 654 CG PRO 85 21.856 48.061 33.439 1.00 0.00 ATOM 655 CD PRO 85 22.519 47.457 32.226 1.00 0.00 ATOM 656 O PRO 85 19.450 48.265 31.236 1.00 0.00 ATOM 657 C PRO 85 19.198 47.271 31.927 1.00 0.00 ATOM 658 N VAL 86 17.955 46.854 32.119 1.00 0.00 ATOM 659 CA VAL 86 16.846 47.649 31.635 1.00 0.00 ATOM 660 CB VAL 86 16.269 47.041 30.331 1.00 0.00 ATOM 661 CG1 VAL 86 17.338 47.072 29.233 1.00 0.00 ATOM 662 CG2 VAL 86 15.739 45.591 30.549 1.00 0.00 ATOM 663 O VAL 86 15.591 46.940 33.538 1.00 0.00 ATOM 664 C VAL 86 15.800 47.829 32.722 1.00 0.00 ATOM 665 N GLU 87 15.152 49.002 32.716 1.00 0.00 ATOM 666 CA GLU 87 14.070 49.350 33.635 1.00 0.00 ATOM 667 CB GLU 87 14.266 50.772 34.166 1.00 0.00 ATOM 668 CG GLU 87 15.535 50.956 35.020 1.00 0.00 ATOM 669 CD GLU 87 15.708 49.882 36.109 1.00 0.00 ATOM 670 OE1 GLU 87 14.980 49.962 37.123 1.00 0.00 ATOM 671 OE2 GLU 87 16.568 48.971 35.945 1.00 0.00 ATOM 672 O GLU 87 12.634 48.967 31.766 1.00 0.00 ATOM 673 C GLU 87 12.711 49.214 32.959 1.00 0.00 ATOM 674 N ASN 88 11.638 49.349 33.742 1.00 0.00 ATOM 675 CA ASN 88 10.261 49.232 33.234 1.00 0.00 ATOM 676 CB ASN 88 9.285 49.476 34.366 1.00 0.00 ATOM 677 CG ASN 88 9.332 48.394 35.430 1.00 0.00 ATOM 678 ND2 ASN 88 8.637 48.628 36.544 1.00 0.00 ATOM 679 OD1 ASN 88 9.981 47.373 35.263 1.00 0.00 ATOM 680 O ASN 88 9.184 49.843 31.180 1.00 0.00 ATOM 681 C ASN 88 9.918 50.185 32.101 1.00 0.00 ATOM 682 N ASP 89 10.436 51.398 32.218 1.00 0.00 ATOM 683 CA ASP 89 10.337 52.414 31.179 1.00 0.00 ATOM 684 CB ASP 89 11.348 53.556 31.458 1.00 0.00 ATOM 685 CG ASP 89 10.833 54.585 32.461 1.00 0.00 ATOM 686 OD1 ASP 89 9.706 54.406 32.981 1.00 0.00 ATOM 687 OD2 ASP 89 11.542 55.594 32.711 1.00 0.00 ATOM 688 O ASP 89 9.848 52.010 28.866 1.00 0.00 ATOM 689 C ASP 89 10.611 51.796 29.809 1.00 0.00 ATOM 690 N TYR 90 11.695 51.029 29.712 1.00 0.00 ATOM 691 CA TYR 90 12.085 50.434 28.441 1.00 0.00 ATOM 692 CB TYR 90 13.572 50.071 28.427 1.00 0.00 ATOM 693 CG TYR 90 13.926 49.316 27.186 1.00 0.00 ATOM 694 CD1 TYR 90 13.963 49.957 25.953 1.00 0.00 ATOM 695 CD2 TYR 90 14.169 47.946 27.221 1.00 0.00 ATOM 696 CE1 TYR 90 14.245 49.261 24.809 1.00 0.00 ATOM 697 CE2 TYR 90 14.447 47.260 26.082 1.00 0.00 ATOM 698 CZ TYR 90 14.489 47.935 24.876 1.00 0.00 ATOM 699 OH TYR 90 14.773 47.253 23.744 1.00 0.00 ATOM 700 O TYR 90 10.771 48.997 27.029 1.00 0.00 ATOM 701 C TYR 90 11.255 49.190 28.144 1.00 0.00 ATOM 702 N LEU 91 11.094 48.342 29.152 1.00 0.00 ATOM 703 CA LEU 91 10.346 47.104 28.982 1.00 0.00 ATOM 704 CB LEU 91 10.310 46.296 30.294 1.00 0.00 ATOM 705 CG LEU 91 11.683 45.794 30.762 1.00 0.00 ATOM 706 CD1 LEU 91 11.717 45.518 32.284 1.00 0.00 ATOM 707 CD2 LEU 91 12.088 44.577 29.950 1.00 0.00 ATOM 708 O LEU 91 8.498 46.618 27.584 1.00 0.00 ATOM 709 C LEU 91 8.945 47.365 28.438 1.00 0.00 ATOM 710 N LYS 92 8.285 48.430 28.893 1.00 0.00 ATOM 711 CA LYS 92 6.931 48.771 28.441 1.00 0.00 ATOM 712 CB LYS 92 6.328 50.002 29.200 1.00 0.00 ATOM 713 CG LYS 92 6.078 49.759 30.751 1.00 0.00 ATOM 714 CD LYS 92 4.927 50.562 31.425 1.00 0.00 ATOM 715 CE LYS 92 4.673 50.176 32.955 1.00 0.00 ATOM 716 NZ LYS 92 3.811 48.945 33.272 1.00 0.00 ATOM 717 O LYS 92 5.835 48.630 26.306 1.00 0.00 ATOM 718 C LYS 92 6.839 48.976 26.932 1.00 0.00 ATOM 719 N THR 93 7.886 49.533 26.345 1.00 0.00 ATOM 720 CA THR 93 7.897 49.719 24.908 1.00 0.00 ATOM 721 CB THR 93 8.989 50.690 24.460 1.00 0.00 ATOM 722 CG2 THR 93 8.947 51.973 25.302 1.00 0.00 ATOM 723 OG1 THR 93 10.265 50.057 24.562 1.00 0.00 ATOM 724 O THR 93 7.652 48.288 23.041 1.00 0.00 ATOM 725 C THR 93 8.074 48.405 24.169 1.00 0.00 ATOM 726 N VAL 94 8.670 47.408 24.810 1.00 0.00 ATOM 727 CA VAL 94 8.803 46.097 24.198 1.00 0.00 ATOM 728 CB VAL 94 10.067 45.377 24.671 1.00 0.00 ATOM 729 CG1 VAL 94 10.086 43.955 24.100 1.00 0.00 ATOM 730 CG2 VAL 94 11.278 46.136 24.244 1.00 0.00 ATOM 731 O VAL 94 7.057 44.569 23.548 1.00 0.00 ATOM 732 C VAL 94 7.573 45.194 24.465 1.00 0.00 ATOM 733 N PHE 95 7.124 45.115 25.716 1.00 0.00 ATOM 734 CA PHE 95 6.087 44.137 26.099 1.00 0.00 ATOM 735 CB PHE 95 6.496 43.428 27.379 1.00 0.00 ATOM 736 CG PHE 95 7.771 42.683 27.216 1.00 0.00 ATOM 737 CD1 PHE 95 7.787 41.485 26.492 1.00 0.00 ATOM 738 CD2 PHE 95 8.973 43.220 27.687 1.00 0.00 ATOM 739 CE1 PHE 95 8.965 40.823 26.275 1.00 0.00 ATOM 740 CE2 PHE 95 10.160 42.558 27.478 1.00 0.00 ATOM 741 CZ PHE 95 10.159 41.349 26.764 1.00 0.00 ATOM 742 O PHE 95 3.748 44.021 26.008 1.00 0.00 ATOM 743 C PHE 95 4.714 44.723 26.236 1.00 0.00 ATOM 744 N ALA 96 4.643 46.008 26.600 1.00 0.00 ATOM 745 CA ALA 96 3.398 46.749 26.669 1.00 0.00 ATOM 746 CB ALA 96 2.824 46.972 25.270 1.00 0.00 ATOM 747 O ALA 96 2.808 45.465 28.592 1.00 0.00 ATOM 748 C ALA 96 2.417 46.001 27.544 1.00 0.00 ATOM 749 N ASP 97 1.166 45.935 27.081 1.00 0.00 ATOM 750 CA ASP 97 0.046 45.371 27.838 1.00 0.00 ATOM 751 CB ASP 97 -1.265 46.066 27.407 1.00 0.00 ATOM 752 O ASP 97 -1.029 43.257 28.248 1.00 0.00 ATOM 753 C ASP 97 -0.093 43.838 27.701 1.00 0.00 ATOM 754 N ASN 98 0.826 43.182 26.987 1.00 0.00 ATOM 755 CA ASN 98 0.709 41.742 26.728 1.00 0.00 ATOM 756 CB ASN 98 1.832 41.264 25.806 1.00 0.00 ATOM 757 CG ASN 98 1.702 39.790 25.425 1.00 0.00 ATOM 758 ND2 ASN 98 2.427 39.400 24.387 1.00 0.00 ATOM 759 OD1 ASN 98 0.972 39.012 26.058 1.00 0.00 ATOM 760 O ASN 98 1.697 40.893 28.757 1.00 0.00 ATOM 761 C ASN 98 0.697 40.926 28.033 1.00 0.00 ATOM 762 N PRO 99 -0.435 40.263 28.332 1.00 0.00 ATOM 763 CA PRO 99 -0.596 39.604 29.644 1.00 0.00 ATOM 764 CB PRO 99 -2.024 39.038 29.585 1.00 0.00 ATOM 765 CG PRO 99 -2.695 39.772 28.462 1.00 0.00 ATOM 766 CD PRO 99 -1.631 40.095 27.481 1.00 0.00 ATOM 767 O PRO 99 0.724 38.258 31.149 1.00 0.00 ATOM 768 C PRO 99 0.423 38.488 29.968 1.00 0.00 ATOM 769 N TYR 100 0.945 37.817 28.936 1.00 0.00 ATOM 770 CA TYR 100 1.943 36.757 29.117 1.00 0.00 ATOM 771 CB TYR 100 2.192 36.005 27.788 1.00 0.00 ATOM 772 CG TYR 100 3.235 34.894 27.850 1.00 0.00 ATOM 773 O TYR 100 4.064 36.542 30.204 1.00 0.00 ATOM 774 C TYR 100 3.254 37.318 29.692 1.00 0.00 ATOM 775 N TYR 101 3.454 38.650 29.638 1.00 0.00 ATOM 776 CA TYR 101 4.763 39.275 29.991 1.00 0.00 ATOM 777 CB TYR 101 5.432 39.853 28.739 1.00 0.00 ATOM 778 CG TYR 101 5.741 38.811 27.690 1.00 0.00 ATOM 779 CD1 TYR 101 6.746 37.870 27.893 1.00 0.00 ATOM 780 CD2 TYR 101 5.020 38.764 26.497 1.00 0.00 ATOM 781 CE1 TYR 101 7.031 36.913 26.933 1.00 0.00 ATOM 782 CE2 TYR 101 5.291 37.819 25.538 1.00 0.00 ATOM 783 CZ TYR 101 6.294 36.895 25.757 1.00 0.00 ATOM 784 OH TYR 101 6.554 35.953 24.796 1.00 0.00 ATOM 785 O TYR 101 5.772 41.022 31.322 1.00 0.00 ATOM 786 C TYR 101 4.746 40.354 31.084 1.00 0.00 ATOM 787 N GLN 102 3.606 40.496 31.762 1.00 0.00 ATOM 788 CA GLN 102 3.460 41.476 32.848 1.00 0.00 ATOM 789 CB GLN 102 1.995 41.560 33.318 1.00 0.00 ATOM 790 CG GLN 102 0.998 42.058 32.261 1.00 0.00 ATOM 791 CD GLN 102 1.245 43.499 31.798 1.00 0.00 ATOM 792 OE1 GLN 102 1.991 43.735 30.846 1.00 0.00 ATOM 793 NE2 GLN 102 0.586 44.455 32.447 1.00 0.00 ATOM 794 O GLN 102 4.753 42.116 34.775 1.00 0.00 ATOM 795 C GLN 102 4.382 41.201 34.048 1.00 0.00 ATOM 796 N HIS 103 4.753 39.945 34.259 1.00 0.00 ATOM 797 CA HIS 103 5.671 39.605 35.349 1.00 0.00 ATOM 798 CB HIS 103 5.846 38.077 35.464 1.00 0.00 ATOM 799 CG HIS 103 6.349 37.420 34.217 1.00 0.00 ATOM 800 CD2 HIS 103 5.690 36.918 33.145 1.00 0.00 ATOM 801 ND1 HIS 103 7.692 37.207 33.975 1.00 0.00 ATOM 802 CE1 HIS 103 7.838 36.609 32.805 1.00 0.00 ATOM 803 NE2 HIS 103 6.639 36.426 32.278 1.00 0.00 ATOM 804 O HIS 103 7.717 40.536 36.259 1.00 0.00 ATOM 805 C HIS 103 7.041 40.310 35.243 1.00 0.00 ATOM 806 N ILE 104 7.432 40.682 34.024 1.00 0.00 ATOM 807 CA ILE 104 8.750 41.282 33.787 1.00 0.00 ATOM 808 CB ILE 104 9.067 41.388 32.254 1.00 0.00 ATOM 809 CG1 ILE 104 10.577 41.334 32.012 1.00 0.00 ATOM 810 CG2 ILE 104 8.465 42.650 31.646 1.00 0.00 ATOM 811 CD1 ILE 104 10.980 41.117 30.567 1.00 0.00 ATOM 812 O ILE 104 10.042 43.042 34.800 1.00 0.00 ATOM 813 C ILE 104 8.918 42.640 34.503 1.00 0.00 ATOM 814 N TYR 105 7.815 43.326 34.808 1.00 0.00 ATOM 815 CA TYR 105 7.892 44.630 35.476 1.00 0.00 ATOM 816 CB TYR 105 6.634 45.484 35.187 1.00 0.00 ATOM 817 CG TYR 105 6.294 45.616 33.708 1.00 0.00 ATOM 818 CD1 TYR 105 7.220 46.121 32.803 1.00 0.00 ATOM 819 CD2 TYR 105 5.057 45.228 33.216 1.00 0.00 ATOM 820 CE1 TYR 105 6.919 46.233 31.442 1.00 0.00 ATOM 821 CE2 TYR 105 4.747 45.340 31.857 1.00 0.00 ATOM 822 CZ TYR 105 5.684 45.842 30.973 1.00 0.00 ATOM 823 OH TYR 105 5.394 45.956 29.623 1.00 0.00 ATOM 824 O TYR 105 7.304 43.849 37.682 1.00 0.00 ATOM 825 C TYR 105 8.116 44.471 36.991 1.00 0.00 ATOM 826 N LYS 106 9.222 45.039 37.485 1.00 0.00 ATOM 827 CA LYS 106 9.603 45.008 38.915 1.00 0.00 ATOM 828 CB LYS 106 10.671 46.079 39.231 1.00 0.00 ATOM 829 CG LYS 106 12.135 45.687 38.931 1.00 0.00 ATOM 830 CD LYS 106 13.117 46.891 39.131 1.00 0.00 ATOM 831 CE LYS 106 14.439 46.717 38.337 1.00 0.00 ATOM 832 NZ LYS 106 15.500 47.707 38.681 1.00 0.00 ATOM 833 O LYS 106 7.924 46.387 39.821 1.00 0.00 ATOM 834 C LYS 106 8.412 45.271 39.804 1.00 0.00 ATOM 835 N THR 112 15.471 43.680 45.013 1.00 0.00 ATOM 836 CA THR 112 14.683 42.671 44.309 1.00 0.00 ATOM 837 CB THR 112 13.173 43.090 44.194 1.00 0.00 ATOM 838 CG2 THR 112 12.569 43.360 45.592 1.00 0.00 ATOM 839 OG1 THR 112 13.032 44.264 43.372 1.00 0.00 ATOM 840 O THR 112 16.511 42.796 42.773 1.00 0.00 ATOM 841 C THR 112 15.367 42.418 42.949 1.00 0.00 ATOM 842 N MET 113 14.699 41.776 41.995 1.00 0.00 ATOM 843 CA MET 113 15.332 41.424 40.730 1.00 0.00 ATOM 844 CB MET 113 14.397 40.558 39.886 1.00 0.00 ATOM 845 CG MET 113 14.130 39.174 40.506 1.00 0.00 ATOM 846 SD MET 113 15.750 38.052 40.751 1.00 0.00 ATOM 847 CE MET 113 15.760 36.928 39.110 1.00 0.00 ATOM 848 O MET 113 15.409 43.767 40.188 1.00 0.00 ATOM 849 C MET 113 15.776 42.631 39.905 1.00 0.00 ATOM 850 N GLN 114 16.608 42.359 38.904 1.00 0.00 ATOM 851 CA GLN 114 17.012 43.326 37.886 1.00 0.00 ATOM 852 CB GLN 114 18.416 43.878 38.150 1.00 0.00 ATOM 853 CG GLN 114 19.048 44.681 36.973 1.00 0.00 ATOM 854 CD GLN 114 18.304 45.970 36.668 1.00 0.00 ATOM 855 OE1 GLN 114 18.224 46.852 37.512 1.00 0.00 ATOM 856 NE2 GLN 114 17.736 46.073 35.466 1.00 0.00 ATOM 857 O GLN 114 17.573 41.534 36.380 1.00 0.00 ATOM 858 C GLN 114 16.979 42.604 36.539 1.00 0.00 ATOM 859 N VAL 115 16.282 43.185 35.569 1.00 0.00 ATOM 860 CA VAL 115 16.246 42.624 34.227 1.00 0.00 ATOM 861 CB VAL 115 14.917 42.981 33.545 1.00 0.00 ATOM 862 CG1 VAL 115 14.852 42.394 32.146 1.00 0.00 ATOM 863 CG2 VAL 115 13.764 42.479 34.353 1.00 0.00 ATOM 864 O VAL 115 17.883 44.273 33.571 1.00 0.00 ATOM 865 C VAL 115 17.452 43.123 33.420 1.00 0.00 ATOM 866 N PHE 116 17.996 42.246 32.575 1.00 0.00 ATOM 867 CA PHE 116 19.031 42.603 31.600 1.00 0.00 ATOM 868 CB PHE 116 20.354 41.897 31.890 1.00 0.00 ATOM 869 CG PHE 116 21.061 42.412 33.100 1.00 0.00 ATOM 870 CD1 PHE 116 20.640 42.044 34.340 1.00 0.00 ATOM 871 CD2 PHE 116 22.187 43.271 32.964 1.00 0.00 ATOM 872 CE1 PHE 116 21.327 42.526 35.493 1.00 0.00 ATOM 873 CE2 PHE 116 22.858 43.767 34.069 1.00 0.00 ATOM 874 CZ PHE 116 22.434 43.410 35.341 1.00 0.00 ATOM 875 O PHE 116 17.792 41.220 30.153 1.00 0.00 ATOM 876 C PHE 116 18.591 42.133 30.251 1.00 0.00 ATOM 877 N GLN 117 19.171 42.737 29.234 1.00 0.00 ATOM 878 CA GLN 117 18.857 42.476 27.859 1.00 0.00 ATOM 879 CB GLN 117 18.116 43.685 27.336 1.00 0.00 ATOM 880 CG GLN 117 17.631 43.542 25.891 1.00 0.00 ATOM 881 CD GLN 117 17.200 44.843 25.325 1.00 0.00 ATOM 882 OE1 GLN 117 17.380 45.876 25.961 1.00 0.00 ATOM 883 NE2 GLN 117 16.635 44.825 24.099 1.00 0.00 ATOM 884 O GLN 117 20.945 43.215 26.939 1.00 0.00 ATOM 885 C GLN 117 20.115 42.315 26.995 1.00 0.00 ATOM 886 N ILE 118 20.218 41.221 26.258 1.00 0.00 ATOM 887 CA ILE 118 21.252 41.136 25.253 1.00 0.00 ATOM 888 CB ILE 118 21.618 39.697 24.818 1.00 0.00 ATOM 889 CG1 ILE 118 22.040 38.879 26.040 1.00 0.00 ATOM 890 CG2 ILE 118 22.704 39.751 23.698 1.00 0.00 ATOM 891 CD1 ILE 118 22.521 37.439 25.764 1.00 0.00 ATOM 892 O ILE 118 19.747 41.404 23.432 1.00 0.00 ATOM 893 C ILE 118 20.652 41.903 24.119 1.00 0.00 ATOM 894 N TYR 119 21.129 43.136 23.959 1.00 0.00 ATOM 895 CA TYR 119 20.555 44.098 23.024 1.00 0.00 ATOM 896 CB TYR 119 20.513 45.488 23.675 1.00 0.00 ATOM 897 CG TYR 119 21.866 46.114 23.893 1.00 0.00 ATOM 898 CD1 TYR 119 22.648 45.800 25.009 1.00 0.00 ATOM 899 CD2 TYR 119 22.370 47.025 22.970 1.00 0.00 ATOM 900 CE1 TYR 119 23.900 46.368 25.176 1.00 0.00 ATOM 901 CE2 TYR 119 23.611 47.588 23.137 1.00 0.00 ATOM 902 CZ TYR 119 24.358 47.257 24.226 1.00 0.00 ATOM 903 OH TYR 119 25.580 47.851 24.347 1.00 0.00 ATOM 904 O TYR 119 20.723 44.710 20.682 1.00 0.00 ATOM 905 C TYR 119 21.253 44.127 21.646 1.00 0.00 ATOM 906 N ALA 120 22.412 43.488 21.535 1.00 0.00 ATOM 907 CA ALA 120 23.184 43.515 20.294 1.00 0.00 ATOM 908 CB ALA 120 24.091 44.707 20.270 1.00 0.00 ATOM 909 O ALA 120 24.543 41.841 21.302 1.00 0.00 ATOM 910 C ALA 120 24.038 42.273 20.268 1.00 0.00 ATOM 911 N GLY 121 24.233 41.698 19.091 1.00 0.00 ATOM 912 CA GLY 121 25.037 40.495 18.994 1.00 0.00 ATOM 913 O GLY 121 24.203 40.271 16.792 1.00 0.00 ATOM 914 C GLY 121 24.827 39.759 17.711 1.00 0.00 ATOM 915 N HIS 122 25.378 38.561 17.646 1.00 0.00 ATOM 916 CA HIS 122 25.201 37.728 16.474 1.00 0.00 ATOM 917 CB HIS 122 26.375 37.845 15.479 1.00 0.00 ATOM 918 CG HIS 122 27.712 37.620 16.101 1.00 0.00 ATOM 919 CD2 HIS 122 28.512 36.524 16.128 1.00 0.00 ATOM 920 ND1 HIS 122 28.358 38.589 16.847 1.00 0.00 ATOM 921 CE1 HIS 122 29.503 38.101 17.300 1.00 0.00 ATOM 922 NE2 HIS 122 29.621 36.851 16.877 1.00 0.00 ATOM 923 O HIS 122 25.445 36.021 18.153 1.00 0.00 ATOM 924 C HIS 122 24.997 36.328 17.031 1.00 0.00 ATOM 925 N GLY 123 24.258 35.515 16.280 1.00 0.00 ATOM 926 CA GLY 123 23.926 34.193 16.760 1.00 0.00 ATOM 927 O GLY 123 23.956 33.425 14.463 1.00 0.00 ATOM 928 C GLY 123 23.908 33.141 15.688 1.00 0.00 ATOM 929 N PHE 124 23.820 31.914 16.188 1.00 0.00 ATOM 930 CA PHE 124 23.778 30.704 15.374 1.00 0.00 ATOM 931 CB PHE 124 25.137 30.030 15.500 1.00 0.00 ATOM 932 CG PHE 124 25.197 28.630 15.002 1.00 0.00 ATOM 933 CD1 PHE 124 25.306 28.364 13.628 1.00 0.00 ATOM 934 CD2 PHE 124 25.238 27.559 15.908 1.00 0.00 ATOM 935 CE1 PHE 124 25.399 27.030 13.144 1.00 0.00 ATOM 936 CE2 PHE 124 25.350 26.241 15.456 1.00 0.00 ATOM 937 CZ PHE 124 25.419 25.972 14.062 1.00 0.00 ATOM 938 O PHE 124 22.569 29.651 17.147 1.00 0.00 ATOM 939 C PHE 124 22.646 29.849 15.942 1.00 0.00 ATOM 940 N TYR 125 21.721 29.440 15.085 1.00 0.00 ATOM 941 CA TYR 125 20.665 28.487 15.447 1.00 0.00 ATOM 942 CB TYR 125 19.280 29.046 15.114 1.00 0.00 ATOM 943 CG TYR 125 18.210 27.985 15.003 1.00 0.00 ATOM 944 CD1 TYR 125 17.792 27.322 16.108 1.00 0.00 ATOM 945 CD2 TYR 125 17.638 27.648 13.794 1.00 0.00 ATOM 946 CE1 TYR 125 16.858 26.366 16.046 1.00 0.00 ATOM 947 CE2 TYR 125 16.666 26.647 13.719 1.00 0.00 ATOM 948 CZ TYR 125 16.292 26.007 14.871 1.00 0.00 ATOM 949 OH TYR 125 15.353 24.997 14.928 1.00 0.00 ATOM 950 O TYR 125 21.132 27.219 13.451 1.00 0.00 ATOM 951 C TYR 125 20.905 27.186 14.666 1.00 0.00 ATOM 952 N HIS 126 20.849 26.057 15.370 1.00 0.00 ATOM 953 CA HIS 126 21.142 24.765 14.784 1.00 0.00 ATOM 954 CB HIS 126 22.552 24.335 15.237 1.00 0.00 ATOM 955 CG HIS 126 23.135 23.226 14.415 1.00 0.00 ATOM 956 CD2 HIS 126 22.672 22.607 13.299 1.00 0.00 ATOM 957 ND1 HIS 126 24.319 22.593 14.748 1.00 0.00 ATOM 958 CE1 HIS 126 24.565 21.648 13.854 1.00 0.00 ATOM 959 NE2 HIS 126 23.574 21.627 12.977 1.00 0.00 ATOM 960 O HIS 126 20.013 23.432 16.418 1.00 0.00 ATOM 961 C HIS 126 20.116 23.724 15.221 1.00 0.00 ATOM 962 N SER 127 19.357 23.183 14.275 1.00 0.00 ATOM 963 CA SER 127 18.532 21.981 14.516 1.00 0.00 ATOM 964 CB SER 127 17.193 22.045 13.752 1.00 0.00 ATOM 965 OG SER 127 16.353 20.880 13.948 1.00 0.00 ATOM 966 O SER 127 19.407 20.444 12.892 1.00 0.00 ATOM 967 C SER 127 19.349 20.765 14.074 1.00 0.00 ATOM 968 N LEU 128 19.968 20.094 15.041 1.00 0.00 ATOM 969 CA LEU 128 20.956 19.058 14.764 1.00 0.00 ATOM 970 CB LEU 128 21.597 18.548 16.040 1.00 0.00 ATOM 971 CG LEU 128 22.706 19.430 16.603 1.00 0.00 ATOM 972 CD1 LEU 128 22.186 20.792 17.070 1.00 0.00 ATOM 973 CD2 LEU 128 23.383 18.685 17.738 1.00 0.00 ATOM 974 O LEU 128 21.015 17.351 13.136 1.00 0.00 ATOM 975 C LEU 128 20.367 17.901 14.036 1.00 0.00 ATOM 976 N THR 129 19.142 17.511 14.389 1.00 0.00 ATOM 977 CA THR 129 18.571 16.333 13.757 1.00 0.00 ATOM 978 CB THR 129 17.346 15.727 14.534 1.00 0.00 ATOM 979 CG2 THR 129 17.717 15.442 16.000 1.00 0.00 ATOM 980 OG1 THR 129 16.167 16.566 14.401 1.00 0.00 ATOM 981 O THR 129 17.997 15.651 11.556 1.00 0.00 ATOM 982 C THR 129 18.173 16.593 12.308 1.00 0.00 ATOM 983 N GLN 130 17.992 17.847 11.918 1.00 0.00 ATOM 984 CA GLN 130 17.562 18.146 10.541 1.00 0.00 ATOM 985 CB GLN 130 16.422 19.160 10.544 1.00 0.00 ATOM 986 CG GLN 130 15.173 18.762 11.317 1.00 0.00 ATOM 987 CD GLN 130 14.259 19.969 11.540 1.00 0.00 ATOM 988 OE1 GLN 130 14.622 20.920 12.255 1.00 0.00 ATOM 989 NE2 GLN 130 13.076 19.938 10.929 1.00 0.00 ATOM 990 O GLN 130 18.488 18.991 8.521 1.00 0.00 ATOM 991 C GLN 130 18.685 18.718 9.689 1.00 0.00 ATOM 992 N GLY 131 19.851 18.929 10.287 1.00 0.00 ATOM 993 CA GLY 131 20.970 19.531 9.588 1.00 0.00 ATOM 994 O GLY 131 21.147 21.312 8.003 1.00 0.00 ATOM 995 C GLY 131 20.684 20.938 9.081 1.00 0.00 ATOM 996 N HIS 132 19.914 21.719 9.833 1.00 0.00 ATOM 997 CA HIS 132 19.612 23.096 9.422 1.00 0.00 ATOM 998 CB HIS 132 18.123 23.390 9.495 1.00 0.00 ATOM 999 CG HIS 132 17.312 22.606 8.511 1.00 0.00 ATOM 1000 CD2 HIS 132 17.621 22.143 7.277 1.00 0.00 ATOM 1001 ND1 HIS 132 16.021 22.187 8.769 1.00 0.00 ATOM 1002 CE1 HIS 132 15.564 21.515 7.726 1.00 0.00 ATOM 1003 NE2 HIS 132 16.515 21.474 6.807 1.00 0.00 ATOM 1004 O HIS 132 20.242 23.941 11.534 1.00 0.00 ATOM 1005 C HIS 132 20.354 24.047 10.312 1.00 0.00 ATOM 1006 N LYS 133 21.132 24.947 9.696 1.00 0.00 ATOM 1007 CA LYS 133 21.966 25.934 10.424 1.00 0.00 ATOM 1008 CB LYS 133 23.455 25.757 10.153 1.00 0.00 ATOM 1009 CG LYS 133 24.184 24.576 10.781 1.00 0.00 ATOM 1010 CD LYS 133 25.488 24.287 9.960 1.00 0.00 ATOM 1011 CE LYS 133 26.523 23.367 10.638 1.00 0.00 ATOM 1012 NZ LYS 133 27.570 22.932 9.647 1.00 0.00 ATOM 1013 O LYS 133 21.454 27.514 8.722 1.00 0.00 ATOM 1014 C LYS 133 21.580 27.315 9.919 1.00 0.00 ATOM 1015 N TYR 134 21.370 28.243 10.840 1.00 0.00 ATOM 1016 CA TYR 134 21.080 29.613 10.485 1.00 0.00 ATOM 1017 CB TYR 134 19.623 29.973 10.819 1.00 0.00 ATOM 1018 CG TYR 134 18.609 29.174 10.053 1.00 0.00 ATOM 1019 CD1 TYR 134 18.302 27.881 10.418 1.00 0.00 ATOM 1020 CD2 TYR 134 17.968 29.707 8.962 1.00 0.00 ATOM 1021 CE1 TYR 134 17.384 27.115 9.682 1.00 0.00 ATOM 1022 CE2 TYR 134 17.039 28.958 8.230 1.00 0.00 ATOM 1023 CZ TYR 134 16.756 27.659 8.603 1.00 0.00 ATOM 1024 OH TYR 134 15.844 26.917 7.893 1.00 0.00 ATOM 1025 O TYR 134 22.243 30.279 12.498 1.00 0.00 ATOM 1026 C TYR 134 22.013 30.503 11.289 1.00 0.00 ATOM 1027 N ILE 135 22.528 31.539 10.651 1.00 0.00 ATOM 1028 CA ILE 135 23.214 32.582 11.420 1.00 0.00 ATOM 1029 CB ILE 135 24.709 32.813 10.920 1.00 0.00 ATOM 1030 CG1 ILE 135 24.789 33.199 9.447 1.00 0.00 ATOM 1031 CG2 ILE 135 25.562 31.561 11.083 1.00 0.00 ATOM 1032 CD1 ILE 135 26.220 33.444 9.006 1.00 0.00 ATOM 1033 O ILE 135 21.574 34.100 10.455 1.00 0.00 ATOM 1034 C ILE 135 22.323 33.848 11.417 1.00 0.00 ATOM 1035 N PHE 136 22.399 34.644 12.468 1.00 0.00 ATOM 1036 CA PHE 136 21.539 35.840 12.571 1.00 0.00 ATOM 1037 CB PHE 136 20.180 35.468 13.173 1.00 0.00 ATOM 1038 CG PHE 136 20.272 34.847 14.551 1.00 0.00 ATOM 1039 CD1 PHE 136 20.258 35.632 15.689 1.00 0.00 ATOM 1040 CD2 PHE 136 20.391 33.485 14.701 1.00 0.00 ATOM 1041 CE1 PHE 136 20.351 35.070 16.930 1.00 0.00 ATOM 1042 CE2 PHE 136 20.485 32.921 15.933 1.00 0.00 ATOM 1043 CZ PHE 136 20.456 33.704 17.055 1.00 0.00 ATOM 1044 O PHE 136 23.144 36.675 14.122 1.00 0.00 ATOM 1045 C PHE 136 22.180 36.930 13.425 1.00 0.00 ATOM 1046 N SER 137 21.656 38.142 13.367 1.00 0.00 ATOM 1047 CA SER 137 22.132 39.184 14.257 1.00 0.00 ATOM 1048 CB SER 137 22.744 40.333 13.471 1.00 0.00 ATOM 1049 OG SER 137 21.894 40.692 12.397 1.00 0.00 ATOM 1050 O SER 137 19.857 39.375 14.885 1.00 0.00 ATOM 1051 C SER 137 21.009 39.670 15.138 1.00 0.00 ATOM 1052 N ILE 138 21.364 40.349 16.220 1.00 0.00 ATOM 1053 CA ILE 138 20.390 41.074 17.021 1.00 0.00 ATOM 1054 CB ILE 138 20.384 40.624 18.445 1.00 0.00 ATOM 1055 CG1 ILE 138 20.187 39.089 18.527 1.00 0.00 ATOM 1056 CG2 ILE 138 19.310 41.422 19.153 1.00 0.00 ATOM 1057 CD1 ILE 138 20.837 38.419 19.756 1.00 0.00 ATOM 1058 O ILE 138 21.911 42.926 17.017 1.00 0.00 ATOM 1059 C ILE 138 20.726 42.560 17.042 1.00 0.00 ATOM 1060 N GLY 139 19.687 43.408 17.075 1.00 0.00 ATOM 1061 CA GLY 139 19.856 44.847 17.313 1.00 0.00 ATOM 1062 O GLY 139 19.521 45.900 15.207 1.00 0.00 ATOM 1063 C GLY 139 20.320 45.626 16.105 1.00 0.00 ATOM 1064 N GLU 145 17.696 40.022 9.855 1.00 0.00 ATOM 1065 CA GLU 145 18.992 39.655 9.287 1.00 0.00 ATOM 1066 CB GLU 145 20.057 40.673 9.737 1.00 0.00 ATOM 1067 CG GLU 145 21.489 40.379 9.241 1.00 0.00 ATOM 1068 O GLU 145 20.014 38.006 10.752 1.00 0.00 ATOM 1069 C GLU 145 19.341 38.211 9.727 1.00 0.00 ATOM 1070 N VAL 146 18.808 37.240 8.972 1.00 0.00 ATOM 1071 CA VAL 146 18.966 35.787 9.204 1.00 0.00 ATOM 1072 CB VAL 146 17.636 35.079 9.565 1.00 0.00 ATOM 1073 CG1 VAL 146 17.711 33.591 9.269 1.00 0.00 ATOM 1074 CG2 VAL 146 17.324 35.253 11.015 1.00 0.00 ATOM 1075 O VAL 146 18.975 35.526 6.847 1.00 0.00 ATOM 1076 C VAL 146 19.449 35.156 7.923 1.00 0.00 ATOM 1077 N ARG 147 20.383 34.219 8.018 1.00 0.00 ATOM 1078 CA ARG 147 20.925 33.563 6.825 1.00 0.00 ATOM 1079 CB ARG 147 22.315 34.132 6.524 1.00 0.00 ATOM 1080 CG ARG 147 22.948 33.658 5.225 1.00 0.00 ATOM 1081 CD ARG 147 24.369 34.289 4.992 1.00 0.00 ATOM 1082 NE ARG 147 25.275 33.256 4.473 1.00 0.00 ATOM 1083 CZ ARG 147 26.522 33.010 4.891 1.00 0.00 ATOM 1084 NH1 ARG 147 27.144 33.771 5.817 1.00 0.00 ATOM 1085 NH2 ARG 147 27.163 31.991 4.328 1.00 0.00 ATOM 1086 O ARG 147 21.551 31.565 8.002 1.00 0.00 ATOM 1087 C ARG 147 20.991 32.058 7.014 1.00 0.00 ATOM 1088 N ALA 148 20.398 31.331 6.076 1.00 0.00 ATOM 1089 CA ALA 148 20.458 29.877 6.090 1.00 0.00 ATOM 1090 CB ALA 148 19.351 29.278 5.281 1.00 0.00 ATOM 1091 O ALA 148 22.129 29.944 4.417 1.00 0.00 ATOM 1092 C ALA 148 21.792 29.510 5.505 1.00 0.00 ATOM 1093 N LEU 149 22.580 28.764 6.259 1.00 0.00 ATOM 1094 CA LEU 149 23.838 28.244 5.758 1.00 0.00 ATOM 1095 CB LEU 149 24.805 27.960 6.897 1.00 0.00 ATOM 1096 CG LEU 149 25.139 29.178 7.726 1.00 0.00 ATOM 1097 CD1 LEU 149 25.972 28.714 8.886 1.00 0.00 ATOM 1098 CD2 LEU 149 25.856 30.184 6.858 1.00 0.00 ATOM 1099 O LEU 149 24.498 26.465 4.333 1.00 0.00 ATOM 1100 C LEU 149 23.585 26.967 4.995 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1832659907.pdb -s /var/tmp/to_scwrl_1832659907.seq -o /var/tmp/from_scwrl_1832659907.pdb > /var/tmp/scwrl_1832659907.log sh: /var/tmp/scwrl_1832659907.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1832659907.pdb or /var/tmp/from_scwrl_1832659907.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1832659907_b.pdb or /var/tmp/from_scwrl_1832659907_b.pdb.gz for input Trying /var/tmp/from_scwrl_1832659907_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1832659907_b.pdb or /var/tmp/from_scwrl_1832659907_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1832659907_a.pdb or /var/tmp/from_scwrl_1832659907_a.pdb.gz for input Trying /var/tmp/from_scwrl_1832659907_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1832659907_a.pdb or /var/tmp/from_scwrl_1832659907_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1832659907.pdb or /var/tmp/from_scwrl_1832659907_b.pdb or /var/tmp/from_scwrl_1832659907_a.pdb Error: no new SCWRL conformation added # command:# naming current conformation model1-scwrl # command:# ReadConformPDB reading from PDB file model2.ts-submitted looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -51.079 # GDT_score(maxd=8.000,maxw=2.900)= -51.530 # GDT_score(maxd=8.000,maxw=3.200)= -49.899 # GDT_score(maxd=8.000,maxw=3.500)= -48.166 # GDT_score(maxd=10.000,maxw=3.800)= -50.288 # GDT_score(maxd=10.000,maxw=4.000)= -49.005 # GDT_score(maxd=10.000,maxw=4.200)= -47.698 # GDT_score(maxd=12.000,maxw=4.300)= -50.276 # GDT_score(maxd=12.000,maxw=4.500)= -48.978 # GDT_score(maxd=12.000,maxw=4.700)= -47.675 # GDT_score(maxd=14.000,maxw=5.200)= -47.120 # GDT_score(maxd=14.000,maxw=5.500)= -45.241 # command:# request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_40543986.pdb -s /var/tmp/to_scwrl_40543986.seq -o /var/tmp/from_scwrl_40543986.pdb > /var/tmp/scwrl_40543986.log sh: /var/tmp/scwrl_40543986.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_40543986.pdb or /var/tmp/from_scwrl_40543986.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_40543986_b.pdb or /var/tmp/from_scwrl_40543986_b.pdb.gz for input Trying /var/tmp/from_scwrl_40543986_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_40543986_b.pdb or /var/tmp/from_scwrl_40543986_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_40543986_a.pdb or /var/tmp/from_scwrl_40543986_a.pdb.gz for input Trying /var/tmp/from_scwrl_40543986_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_40543986_a.pdb or /var/tmp/from_scwrl_40543986_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_40543986.pdb or /var/tmp/from_scwrl_40543986_b.pdb or /var/tmp/from_scwrl_40543986_a.pdb Error: no new SCWRL conformation added # command:# naming current conformation model2-scwrl # command:# ReadConformPDB reading from PDB file model3.ts-submitted looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -66.547 # GDT_score(maxd=8.000,maxw=2.900)= -68.963 # GDT_score(maxd=8.000,maxw=3.200)= -66.177 # GDT_score(maxd=8.000,maxw=3.500)= -63.264 # GDT_score(maxd=10.000,maxw=3.800)= -65.920 # GDT_score(maxd=10.000,maxw=4.000)= -63.967 # GDT_score(maxd=10.000,maxw=4.200)= -62.030 # GDT_score(maxd=12.000,maxw=4.300)= -65.733 # GDT_score(maxd=12.000,maxw=4.500)= -63.822 # GDT_score(maxd=12.000,maxw=4.700)= -61.923 # GDT_score(maxd=14.000,maxw=5.200)= -61.145 # GDT_score(maxd=14.000,maxw=5.500)= -58.596 # command:# request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1043518941.pdb -s /var/tmp/to_scwrl_1043518941.seq -o /var/tmp/from_scwrl_1043518941.pdb > /var/tmp/scwrl_1043518941.log sh: /var/tmp/scwrl_1043518941.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1043518941.pdb or /var/tmp/from_scwrl_1043518941.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1043518941_b.pdb or /var/tmp/from_scwrl_1043518941_b.pdb.gz for input Trying /var/tmp/from_scwrl_1043518941_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1043518941_b.pdb or /var/tmp/from_scwrl_1043518941_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1043518941_a.pdb or /var/tmp/from_scwrl_1043518941_a.pdb.gz for input Trying /var/tmp/from_scwrl_1043518941_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1043518941_a.pdb or /var/tmp/from_scwrl_1043518941_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1043518941.pdb or /var/tmp/from_scwrl_1043518941_b.pdb or /var/tmp/from_scwrl_1043518941_a.pdb Error: no new SCWRL conformation added # command:# naming current conformation model3-scwrl # command:# ReadConformPDB reading from PDB file model4.ts-submitted looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # command:# fraction of real conformation used = 0.964 # GDT_score = -50.540 # GDT_score(maxd=8.000,maxw=2.900)= -50.780 # GDT_score(maxd=8.000,maxw=3.200)= -49.216 # GDT_score(maxd=8.000,maxw=3.500)= -47.444 # GDT_score(maxd=10.000,maxw=3.800)= -49.585 # GDT_score(maxd=10.000,maxw=4.000)= -48.324 # GDT_score(maxd=10.000,maxw=4.200)= -47.073 # GDT_score(maxd=12.000,maxw=4.300)= -49.716 # GDT_score(maxd=12.000,maxw=4.500)= -48.454 # GDT_score(maxd=12.000,maxw=4.700)= -47.135 # GDT_score(maxd=14.000,maxw=5.200)= -46.596 # GDT_score(maxd=14.000,maxw=5.500)= -44.711 # command:# request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1480561976.pdb -s /var/tmp/to_scwrl_1480561976.seq -o /var/tmp/from_scwrl_1480561976.pdb > /var/tmp/scwrl_1480561976.log sh: /var/tmp/scwrl_1480561976.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1480561976.pdb or /var/tmp/from_scwrl_1480561976.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1480561976_b.pdb or /var/tmp/from_scwrl_1480561976_b.pdb.gz for input Trying /var/tmp/from_scwrl_1480561976_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1480561976_b.pdb or /var/tmp/from_scwrl_1480561976_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_1480561976_a.pdb or /var/tmp/from_scwrl_1480561976_a.pdb.gz for input Trying /var/tmp/from_scwrl_1480561976_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1480561976_a.pdb or /var/tmp/from_scwrl_1480561976_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1480561976.pdb or /var/tmp/from_scwrl_1480561976_b.pdb or /var/tmp/from_scwrl_1480561976_a.pdb Error: no new SCWRL conformation added # command:# naming current conformation model4-scwrl # command:# ReadConformPDB reading from PDB file model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # command:# fraction of real conformation used = 0.813 # GDT_score = -57.014 # GDT_score(maxd=8.000,maxw=2.900)= -57.474 # GDT_score(maxd=8.000,maxw=3.200)= -55.312 # GDT_score(maxd=8.000,maxw=3.500)= -53.128 # GDT_score(maxd=10.000,maxw=3.800)= -55.632 # GDT_score(maxd=10.000,maxw=4.000)= -54.146 # GDT_score(maxd=10.000,maxw=4.200)= -52.540 # GDT_score(maxd=12.000,maxw=4.300)= -55.537 # GDT_score(maxd=12.000,maxw=4.500)= -53.937 # GDT_score(maxd=12.000,maxw=4.700)= -52.349 # GDT_score(maxd=14.000,maxw=5.200)= -51.517 # GDT_score(maxd=14.000,maxw=5.500)= -49.223 # command:# request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_170572966.pdb -s /var/tmp/to_scwrl_170572966.seq -o /var/tmp/from_scwrl_170572966.pdb > /var/tmp/scwrl_170572966.log sh: /var/tmp/scwrl_170572966.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_170572966.pdb or /var/tmp/from_scwrl_170572966.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_170572966_b.pdb or /var/tmp/from_scwrl_170572966_b.pdb.gz for input Trying /var/tmp/from_scwrl_170572966_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_170572966_b.pdb or /var/tmp/from_scwrl_170572966_b.pdb.gz for input Warning: Couldn't open file /var/tmp/from_scwrl_170572966_a.pdb or /var/tmp/from_scwrl_170572966_a.pdb.gz for input Trying /var/tmp/from_scwrl_170572966_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_170572966_a.pdb or /var/tmp/from_scwrl_170572966_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_170572966.pdb or /var/tmp/from_scwrl_170572966_b.pdb or /var/tmp/from_scwrl_170572966_a.pdb Error: no new SCWRL conformation added # command:# naming current conformation model5-scwrl # command:# Prefix for input files set to decoys/ # command:# ReadConformPDB reading from PDB file T0331.try1-opt2.pdb looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -67.266 # GDT_score(maxd=8.000,maxw=2.900)= -67.763 # GDT_score(maxd=8.000,maxw=3.200)= -65.013 # GDT_score(maxd=8.000,maxw=3.500)= -62.328 # GDT_score(maxd=10.000,maxw=3.800)= -65.400 # GDT_score(maxd=10.000,maxw=4.000)= -63.538 # GDT_score(maxd=10.000,maxw=4.200)= -61.515 # GDT_score(maxd=12.000,maxw=4.300)= -65.202 # GDT_score(maxd=12.000,maxw=4.500)= -63.203 # GDT_score(maxd=12.000,maxw=4.700)= -61.224 # GDT_score(maxd=14.000,maxw=5.200)= -60.281 # GDT_score(maxd=14.000,maxw=5.500)= -57.623 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0331.try1-real.pdb for output Error: Couldn't open file T0331.try1-real.pdb for output superimposing iter= 0 total_weight= 1656.000 rmsd (weighted)= 6.101 (unweighted)= 15.439 superimposing iter= 1 total_weight= 4539.152 rmsd (weighted)= 2.678 (unweighted)= 15.707 superimposing iter= 2 total_weight= 2164.846 rmsd (weighted)= 1.803 (unweighted)= 15.828 superimposing iter= 3 total_weight= 1703.335 rmsd (weighted)= 1.414 (unweighted)= 15.866 superimposing iter= 4 total_weight= 1410.644 rmsd (weighted)= 1.231 (unweighted)= 15.871 superimposing iter= 5 total_weight= 1320.929 rmsd (weighted)= 1.110 (unweighted)= 15.867 EXPDTA T0331.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0331.try1-opt2.pdb ATOM 1 N MET A 1 13.840 31.983 8.698 1.00 0.00 ATOM 2 CA MET A 1 15.117 32.672 8.532 1.00 0.00 ATOM 3 CB MET A 1 14.900 34.182 8.422 1.00 0.00 ATOM 4 CG MET A 1 14.196 34.618 7.147 1.00 0.00 ATOM 5 SD MET A 1 13.902 36.396 7.087 1.00 0.00 ATOM 6 CE MET A 1 15.565 37.005 6.821 1.00 0.00 ATOM 7 O MET A 1 15.496 31.861 10.739 1.00 0.00 ATOM 8 C MET A 1 15.964 32.430 9.772 1.00 0.00 ATOM 9 N GLU A 2 17.263 32.859 9.680 1.00 0.00 ATOM 10 CA GLU A 2 18.197 32.515 10.753 1.00 0.00 ATOM 11 CB GLU A 2 19.558 33.104 10.364 1.00 0.00 ATOM 12 CG GLU A 2 20.268 32.364 9.232 1.00 0.00 ATOM 13 CD GLU A 2 19.789 32.645 7.835 1.00 0.00 ATOM 14 OE1 GLU A 2 18.866 33.486 7.601 1.00 0.00 ATOM 15 OE2 GLU A 2 20.358 31.999 6.932 1.00 0.00 ATOM 16 O GLU A 2 17.846 32.545 13.119 1.00 0.00 ATOM 17 C GLU A 2 17.713 33.161 12.048 1.00 0.00 ATOM 18 N LEU A 3 17.140 34.378 12.006 1.00 0.00 ATOM 19 CA LEU A 3 16.616 35.031 13.209 1.00 0.00 ATOM 20 CB LEU A 3 16.125 36.438 12.862 1.00 0.00 ATOM 21 CG LEU A 3 17.206 37.475 12.551 1.00 0.00 ATOM 22 CD1 LEU A 3 16.582 38.769 12.050 1.00 0.00 ATOM 23 CD2 LEU A 3 18.023 37.791 13.794 1.00 0.00 ATOM 24 O LEU A 3 15.338 34.067 14.998 1.00 0.00 ATOM 25 C LEU A 3 15.426 34.269 13.787 1.00 0.00 ATOM 26 N LYS A 4 14.522 33.798 12.921 1.00 0.00 ATOM 27 CA LYS A 4 13.343 33.050 13.350 1.00 0.00 ATOM 28 CB LYS A 4 12.435 32.748 12.155 1.00 0.00 ATOM 29 CG LYS A 4 11.728 33.968 11.588 1.00 0.00 ATOM 30 CD LYS A 4 10.844 33.596 10.409 1.00 0.00 ATOM 31 CE LYS A 4 10.158 34.819 9.825 1.00 0.00 ATOM 32 NZ LYS A 4 9.314 34.474 8.649 1.00 0.00 ATOM 33 O LYS A 4 13.209 31.361 15.036 1.00 0.00 ATOM 34 C LYS A 4 13.733 31.729 13.992 1.00 0.00 ATOM 35 N ASP A 5 14.670 31.025 13.362 1.00 0.00 ATOM 36 CA ASP A 5 15.138 29.749 13.856 1.00 0.00 ATOM 37 CB ASP A 5 16.090 29.100 12.849 1.00 0.00 ATOM 38 CG ASP A 5 15.369 28.569 11.625 1.00 0.00 ATOM 39 OD1 ASP A 5 14.124 28.479 11.660 1.00 0.00 ATOM 40 OD2 ASP A 5 16.050 28.245 10.629 1.00 0.00 ATOM 41 O ASP A 5 15.793 29.097 16.074 1.00 0.00 ATOM 42 C ASP A 5 15.860 29.949 15.185 1.00 0.00 ATOM 43 N ILE A 6 16.564 31.098 15.325 1.00 0.00 ATOM 44 CA ILE A 6 17.280 31.413 16.552 1.00 0.00 ATOM 45 CB ILE A 6 18.030 32.753 16.421 1.00 0.00 ATOM 46 CG1 ILE A 6 19.236 32.600 15.491 1.00 0.00 ATOM 47 CG2 ILE A 6 18.527 33.220 17.781 1.00 0.00 ATOM 48 CD1 ILE A 6 19.868 33.915 15.091 1.00 0.00 ATOM 49 O ILE A 6 16.389 30.946 18.737 1.00 0.00 ATOM 50 C ILE A 6 16.260 31.578 17.694 1.00 0.00 ATOM 51 N MET A 7 15.251 32.396 17.413 1.00 0.00 ATOM 52 CA MET A 7 14.187 32.626 18.388 1.00 0.00 ATOM 53 CB MET A 7 13.156 33.611 17.832 1.00 0.00 ATOM 54 CG MET A 7 12.020 33.928 18.792 1.00 0.00 ATOM 55 SD MET A 7 10.822 35.079 18.094 1.00 0.00 ATOM 56 CE MET A 7 9.986 34.025 16.914 1.00 0.00 ATOM 57 O MET A 7 12.937 31.220 19.869 1.00 0.00 ATOM 58 C MET A 7 13.397 31.366 18.735 1.00 0.00 ATOM 59 N HIS A 8 13.270 30.427 17.766 1.00 0.00 ATOM 60 CA HIS A 8 12.565 29.184 18.047 1.00 0.00 ATOM 61 CB HIS A 8 12.517 28.362 16.759 1.00 0.00 ATOM 62 CG HIS A 8 11.884 27.015 16.927 1.00 0.00 ATOM 63 CD2 HIS A 8 12.361 25.639 16.949 1.00 0.00 ATOM 64 ND1 HIS A 8 10.528 26.847 17.114 1.00 0.00 ATOM 65 CE1 HIS A 8 10.263 25.535 17.231 1.00 0.00 ATOM 66 NE2 HIS A 8 11.357 24.803 17.132 1.00 0.00 ATOM 67 O HIS A 8 12.624 27.772 19.985 1.00 0.00 ATOM 68 C HIS A 8 13.277 28.351 19.119 1.00 0.00 ATOM 69 N ILE A 9 14.592 28.307 19.032 1.00 0.00 ATOM 70 CA ILE A 9 15.406 27.577 19.997 1.00 0.00 ATOM 71 CB ILE A 9 16.866 27.644 19.564 1.00 0.00 ATOM 72 CG1 ILE A 9 17.043 27.010 18.158 1.00 0.00 ATOM 73 CG2 ILE A 9 17.745 26.924 20.620 1.00 0.00 ATOM 74 CD1 ILE A 9 18.449 27.065 17.569 1.00 0.00 ATOM 75 O ILE A 9 14.920 27.447 22.348 1.00 0.00 ATOM 76 C ILE A 9 15.128 28.171 21.374 1.00 0.00 ATOM 77 N LEU A 10 15.090 29.506 21.453 1.00 0.00 ATOM 78 CA LEU A 10 14.845 30.169 22.724 1.00 0.00 ATOM 79 CB LEU A 10 15.092 31.674 22.594 1.00 0.00 ATOM 80 CG LEU A 10 16.543 32.106 22.379 1.00 0.00 ATOM 81 CD1 LEU A 10 16.621 33.598 22.090 1.00 0.00 ATOM 82 CD2 LEU A 10 17.380 31.816 23.615 1.00 0.00 ATOM 83 O LEU A 10 13.152 29.790 24.410 1.00 0.00 ATOM 84 C LEU A 10 13.395 29.964 23.207 1.00 0.00 ATOM 85 N GLU A 11 12.444 29.970 22.270 1.00 0.00 ATOM 86 CA GLU A 11 11.035 29.700 22.608 1.00 0.00 ATOM 87 CB GLU A 11 10.150 29.839 21.367 1.00 0.00 ATOM 88 CG GLU A 11 8.669 29.620 21.634 1.00 0.00 ATOM 89 CD GLU A 11 7.821 29.800 20.390 1.00 0.00 ATOM 90 OE1 GLU A 11 8.391 30.106 19.322 1.00 0.00 ATOM 91 OE2 GLU A 11 6.588 29.632 20.484 1.00 0.00 ATOM 92 O GLU A 11 10.291 28.110 24.244 1.00 0.00 ATOM 93 C GLU A 11 10.913 28.282 23.182 1.00 0.00 ATOM 94 N ASP A 12 11.528 27.327 22.514 1.00 0.00 ATOM 95 CA ASP A 12 11.519 25.946 23.004 1.00 0.00 ATOM 96 CB ASP A 12 12.248 25.045 22.007 1.00 0.00 ATOM 97 CG ASP A 12 11.453 24.818 20.736 1.00 0.00 ATOM 98 OD1 ASP A 12 10.251 25.156 20.719 1.00 0.00 ATOM 99 OD2 ASP A 12 12.032 24.303 19.756 1.00 0.00 ATOM 100 O ASP A 12 11.764 25.064 25.221 1.00 0.00 ATOM 101 C ASP A 12 12.211 25.817 24.351 1.00 0.00 ATOM 102 N MET A 13 13.301 26.547 24.548 1.00 0.00 ATOM 103 CA MET A 13 14.037 26.504 25.801 1.00 0.00 ATOM 104 CB MET A 13 15.544 26.546 25.540 1.00 0.00 ATOM 105 CG MET A 13 16.393 26.236 26.763 1.00 0.00 ATOM 106 SD MET A 13 16.332 24.496 27.230 1.00 0.00 ATOM 107 CE MET A 13 16.889 24.581 28.930 1.00 0.00 ATOM 108 O MET A 13 13.475 28.769 26.259 1.00 0.00 ATOM 109 C MET A 13 13.720 27.659 26.728 1.00 0.00 ATOM 110 N LYS A 14 13.836 27.470 28.059 1.00 0.00 ATOM 111 CA LYS A 14 13.583 28.568 28.986 1.00 0.00 ATOM 112 CB LYS A 14 12.308 28.304 29.792 1.00 0.00 ATOM 113 CG LYS A 14 11.035 28.315 28.961 1.00 0.00 ATOM 114 CD LYS A 14 9.813 28.037 29.821 1.00 0.00 ATOM 115 CE LYS A 14 8.573 27.828 28.967 1.00 0.00 ATOM 116 NZ LYS A 14 7.353 27.630 29.797 1.00 0.00 ATOM 117 O LYS A 14 14.806 29.760 30.597 1.00 0.00 ATOM 118 C LYS A 14 14.807 28.779 29.830 1.00 0.00 ATOM 119 N VAL A 15 15.866 27.971 29.727 1.00 0.00 ATOM 120 CA VAL A 15 16.983 28.190 30.663 1.00 0.00 ATOM 121 CB VAL A 15 17.131 27.083 31.723 1.00 0.00 ATOM 122 CG1 VAL A 15 18.411 27.279 32.522 1.00 0.00 ATOM 123 CG2 VAL A 15 15.954 27.107 32.688 1.00 0.00 ATOM 124 O VAL A 15 18.275 27.321 28.857 1.00 0.00 ATOM 125 C VAL A 15 18.193 28.154 29.760 1.00 0.00 ATOM 126 N GLY A 16 19.075 29.087 29.939 1.00 0.00 ATOM 127 CA GLY A 16 20.283 29.118 29.129 1.00 0.00 ATOM 128 O GLY A 16 21.379 29.464 31.226 1.00 0.00 ATOM 129 C GLY A 16 21.504 29.204 30.013 1.00 0.00 ATOM 130 N VAL A 17 22.672 28.981 29.429 1.00 0.00 ATOM 131 CA VAL A 17 23.909 29.193 30.187 1.00 0.00 ATOM 132 CB VAL A 17 24.944 28.083 29.924 1.00 0.00 ATOM 133 CG1 VAL A 17 26.235 28.369 30.679 1.00 0.00 ATOM 134 CG2 VAL A 17 24.408 26.735 30.382 1.00 0.00 ATOM 135 O VAL A 17 24.891 30.717 28.607 1.00 0.00 ATOM 136 C VAL A 17 24.522 30.522 29.773 1.00 0.00 ATOM 137 N PHE A 18 24.733 31.454 30.815 1.00 0.00 ATOM 138 CA PHE A 18 25.279 32.783 30.579 1.00 0.00 ATOM 139 CB PHE A 18 24.619 33.806 31.505 1.00 0.00 ATOM 140 CG PHE A 18 23.194 34.117 31.147 1.00 0.00 ATOM 141 CD1 PHE A 18 22.620 33.588 30.004 1.00 0.00 ATOM 142 CD2 PHE A 18 22.425 34.940 31.953 1.00 0.00 ATOM 143 CE1 PHE A 18 21.310 33.874 29.674 1.00 0.00 ATOM 144 CE2 PHE A 18 21.115 35.226 31.623 1.00 0.00 ATOM 145 CZ PHE A 18 20.557 34.698 30.489 1.00 0.00 ATOM 146 O PHE A 18 27.158 32.087 31.883 1.00 0.00 ATOM 147 C PHE A 18 26.766 32.659 30.864 1.00 0.00 ATOM 148 N ALA A 19 27.614 33.114 29.931 1.00 0.00 ATOM 149 CA ALA A 19 29.058 33.100 30.122 1.00 0.00 ATOM 150 CB ALA A 19 29.814 32.372 29.021 1.00 0.00 ATOM 151 O ALA A 19 29.182 35.337 29.221 1.00 0.00 ATOM 152 C ALA A 19 29.496 34.578 30.140 1.00 0.00 ATOM 153 N THR A 20 30.213 34.976 31.179 1.00 0.00 ATOM 154 CA THR A 20 30.639 36.370 31.342 1.00 0.00 ATOM 155 CB THR A 20 29.771 37.100 32.381 1.00 0.00 ATOM 156 CG2 THR A 20 29.947 36.454 33.762 1.00 0.00 ATOM 157 OG1 THR A 20 30.174 38.474 32.447 1.00 0.00 ATOM 158 O THR A 20 32.677 35.571 32.241 1.00 0.00 ATOM 159 C THR A 20 32.108 36.512 31.710 1.00 0.00 ATOM 160 N LEU A 21 32.758 37.614 31.329 1.00 0.00 ATOM 161 CA LEU A 21 34.163 37.771 31.711 1.00 0.00 ATOM 162 CB LEU A 21 34.713 39.103 31.200 1.00 0.00 ATOM 163 CG LEU A 21 36.199 39.366 31.453 1.00 0.00 ATOM 164 CD1 LEU A 21 37.058 38.381 30.675 1.00 0.00 ATOM 165 CD2 LEU A 21 36.579 40.774 31.017 1.00 0.00 ATOM 166 O LEU A 21 33.577 38.507 33.922 1.00 0.00 ATOM 167 C LEU A 21 34.246 37.730 33.236 1.00 0.00 ATOM 168 N ASP A 22 35.127 36.747 33.757 1.00 0.00 ATOM 169 CA ASP A 22 35.298 36.675 35.212 1.00 0.00 ATOM 170 CB ASP A 22 35.991 35.369 35.607 1.00 0.00 ATOM 171 CG ASP A 22 36.084 35.190 37.108 1.00 0.00 ATOM 172 OD1 ASP A 22 35.651 36.101 37.843 1.00 0.00 ATOM 173 OD2 ASP A 22 36.590 34.137 37.550 1.00 0.00 ATOM 174 O ASP A 22 37.283 38.051 35.301 1.00 0.00 ATOM 175 C ASP A 22 36.150 37.837 35.739 1.00 0.00 ATOM 176 N GLU A 23 35.679 38.592 36.710 1.00 0.00 ATOM 177 CA GLU A 23 36.570 39.543 37.371 1.00 0.00 ATOM 178 CB GLU A 23 35.868 40.194 38.565 1.00 0.00 ATOM 179 CG GLU A 23 34.764 41.166 38.181 1.00 0.00 ATOM 180 CD GLU A 23 34.011 41.697 39.384 1.00 0.00 ATOM 181 OE1 GLU A 23 34.303 41.249 40.512 1.00 0.00 ATOM 182 OE2 GLU A 23 33.129 42.561 39.199 1.00 0.00 ATOM 183 O GLU A 23 38.917 39.481 37.876 1.00 0.00 ATOM 184 C GLU A 23 37.841 38.880 37.894 1.00 0.00 ATOM 185 N TYR A 24 37.717 37.641 38.359 1.00 0.00 ATOM 186 CA TYR A 24 38.860 36.907 38.894 1.00 0.00 ATOM 187 CB TYR A 24 38.396 35.630 39.597 1.00 0.00 ATOM 188 CG TYR A 24 37.672 35.878 40.901 1.00 0.00 ATOM 189 CD1 TYR A 24 36.284 35.833 40.963 1.00 0.00 ATOM 190 CD2 TYR A 24 38.376 36.155 42.065 1.00 0.00 ATOM 191 CE1 TYR A 24 35.613 36.059 42.149 1.00 0.00 ATOM 192 CE2 TYR A 24 37.722 36.384 43.261 1.00 0.00 ATOM 193 CZ TYR A 24 36.329 36.333 43.295 1.00 0.00 ATOM 194 OH TYR A 24 35.663 36.558 44.478 1.00 0.00 ATOM 195 O TYR A 24 40.959 36.046 38.114 1.00 0.00 ATOM 196 C TYR A 24 39.851 36.493 37.812 1.00 0.00 ATOM 197 N GLY A 25 39.449 36.622 36.554 1.00 0.00 ATOM 198 CA GLY A 25 40.333 36.239 35.471 1.00 0.00 ATOM 199 O GLY A 25 40.458 35.508 33.122 1.00 0.00 ATOM 200 C GLY A 25 39.884 35.426 34.246 1.00 0.00 ATOM 201 N ASN A 26 38.801 34.505 34.512 1.00 0.00 ATOM 202 CA ASN A 26 38.379 33.606 33.456 1.00 0.00 ATOM 203 CB ASN A 26 38.710 32.158 33.821 1.00 0.00 ATOM 204 CG ASN A 26 40.192 31.939 34.052 1.00 0.00 ATOM 205 ND2 ASN A 26 40.558 31.632 35.290 1.00 0.00 ATOM 206 OD1 ASN A 26 40.996 32.044 33.126 1.00 0.00 ATOM 207 O ASN A 26 36.124 34.089 34.138 1.00 0.00 ATOM 208 C ASN A 26 36.865 33.716 33.229 1.00 0.00 ATOM 209 N PRO A 27 36.389 33.395 32.106 1.00 0.00 ATOM 210 CA PRO A 27 34.958 33.385 31.807 1.00 0.00 ATOM 211 CB PRO A 27 34.877 32.793 30.398 1.00 0.00 ATOM 212 CG PRO A 27 36.192 33.127 29.777 1.00 0.00 ATOM 213 CD PRO A 27 37.216 32.989 30.869 1.00 0.00 ATOM 214 O PRO A 27 34.680 31.453 33.180 1.00 0.00 ATOM 215 C PRO A 27 34.202 32.531 32.820 1.00 0.00 ATOM 216 N HIS A 28 33.066 33.022 33.316 1.00 0.00 ATOM 217 CA HIS A 28 32.266 32.277 34.303 1.00 0.00 ATOM 218 CB HIS A 28 32.007 33.137 35.542 1.00 0.00 ATOM 219 CG HIS A 28 31.367 32.392 36.672 1.00 0.00 ATOM 220 CD2 HIS A 28 31.845 31.672 37.843 1.00 0.00 ATOM 221 ND1 HIS A 28 30.001 32.254 36.793 1.00 0.00 ATOM 222 CE1 HIS A 28 29.730 31.539 37.900 1.00 0.00 ATOM 223 NE2 HIS A 28 30.832 31.187 38.535 1.00 0.00 ATOM 224 O HIS A 28 30.327 32.646 32.960 1.00 0.00 ATOM 225 C HIS A 28 30.929 31.876 33.708 1.00 0.00 ATOM 226 N ALA A 29 30.526 30.630 33.940 1.00 0.00 ATOM 227 CA ALA A 29 29.230 30.182 33.516 1.00 0.00 ATOM 228 CB ALA A 29 29.304 28.754 32.996 1.00 0.00 ATOM 229 O ALA A 29 28.592 29.967 35.833 1.00 0.00 ATOM 230 C ALA A 29 28.240 30.216 34.662 1.00 0.00 ATOM 231 N ARG A 30 26.940 30.598 34.352 1.00 0.00 ATOM 232 CA ARG A 30 25.849 30.603 35.336 1.00 0.00 ATOM 233 CB ARG A 30 25.658 31.968 35.986 1.00 0.00 ATOM 234 CG ARG A 30 26.794 32.453 36.861 1.00 0.00 ATOM 235 CD ARG A 30 26.455 33.615 37.784 1.00 0.00 ATOM 236 NE ARG A 30 25.270 33.303 38.583 1.00 0.00 ATOM 237 CZ ARG A 30 25.342 32.595 39.709 1.00 0.00 ATOM 238 NH1 ARG A 30 26.496 32.173 40.215 1.00 0.00 ATOM 239 NH2 ARG A 30 24.195 32.304 40.334 1.00 0.00 ATOM 240 O ARG A 30 24.495 30.418 33.383 1.00 0.00 ATOM 241 C ARG A 30 24.579 30.245 34.596 1.00 0.00 ATOM 242 N HIS A 31 23.634 29.703 35.285 1.00 0.00 ATOM 243 CA HIS A 31 22.354 29.345 34.693 1.00 0.00 ATOM 244 CB HIS A 31 21.782 28.084 35.344 1.00 0.00 ATOM 245 CG HIS A 31 22.647 26.874 35.181 1.00 0.00 ATOM 246 CD2 HIS A 31 23.553 26.122 36.039 1.00 0.00 ATOM 247 ND1 HIS A 31 22.731 26.172 33.999 1.00 0.00 ATOM 248 CE1 HIS A 31 23.582 25.143 34.161 1.00 0.00 ATOM 249 NE2 HIS A 31 24.079 25.106 35.381 1.00 0.00 ATOM 250 O HIS A 31 21.267 31.091 35.946 1.00 0.00 ATOM 251 C HIS A 31 21.369 30.503 34.866 1.00 0.00 ATOM 252 N ALA A 32 20.699 30.839 33.792 1.00 0.00 ATOM 253 CA ALA A 32 19.729 31.926 33.832 1.00 0.00 ATOM 254 CB ALA A 32 20.381 33.209 33.347 1.00 0.00 ATOM 255 O ALA A 32 18.599 31.019 31.924 1.00 0.00 ATOM 256 C ALA A 32 18.483 31.525 33.047 1.00 0.00 ATOM 257 N HIS A 33 17.286 31.744 33.642 1.00 0.00 ATOM 258 CA HIS A 33 16.046 31.704 32.864 1.00 0.00 ATOM 259 CB HIS A 33 14.852 31.834 33.777 1.00 0.00 ATOM 260 CG HIS A 33 14.712 30.682 34.710 1.00 0.00 ATOM 261 CD2 HIS A 33 14.349 29.397 34.487 1.00 0.00 ATOM 262 ND1 HIS A 33 15.056 30.765 36.037 1.00 0.00 ATOM 263 CE1 HIS A 33 14.920 29.577 36.596 1.00 0.00 ATOM 264 NE2 HIS A 33 14.493 28.730 35.678 1.00 0.00 ATOM 265 O HIS A 33 16.524 33.950 32.087 1.00 0.00 ATOM 266 C HIS A 33 15.977 32.848 31.860 1.00 0.00 ATOM 267 N ILE A 34 15.278 32.630 30.767 1.00 0.00 ATOM 268 CA ILE A 34 15.090 33.656 29.741 1.00 0.00 ATOM 269 CB ILE A 34 15.994 33.405 28.521 1.00 0.00 ATOM 270 CG1 ILE A 34 15.707 32.027 27.918 1.00 0.00 ATOM 271 CG2 ILE A 34 17.461 33.458 28.923 1.00 0.00 ATOM 272 CD1 ILE A 34 16.451 31.758 26.628 1.00 0.00 ATOM 273 O ILE A 34 12.967 32.672 29.057 1.00 0.00 ATOM 274 C ILE A 34 13.649 33.710 29.221 1.00 0.00 ATOM 275 N THR A 35 13.184 34.937 28.979 1.00 0.00 ATOM 276 CA THR A 35 11.912 35.141 28.321 1.00 0.00 ATOM 277 CB THR A 35 10.928 35.746 29.362 1.00 0.00 ATOM 278 CG2 THR A 35 9.565 36.033 28.693 1.00 0.00 ATOM 279 OG1 THR A 35 10.714 34.777 30.407 1.00 0.00 ATOM 280 O THR A 35 12.805 37.201 27.455 1.00 0.00 ATOM 281 C THR A 35 12.126 36.195 27.234 1.00 0.00 ATOM 282 N ALA A 36 11.576 36.096 26.040 1.00 0.00 ATOM 283 CA ALA A 36 11.787 36.987 24.904 1.00 0.00 ATOM 284 CB ALA A 36 11.384 36.301 23.608 1.00 0.00 ATOM 285 O ALA A 36 9.807 38.218 25.488 1.00 0.00 ATOM 286 C ALA A 36 10.958 38.270 25.040 1.00 0.00 ATOM 287 N ALA A 37 11.550 39.413 24.698 1.00 0.00 ATOM 288 CA ALA A 37 10.808 40.695 24.742 1.00 0.00 ATOM 289 CB ALA A 37 11.771 41.858 24.919 1.00 0.00 ATOM 290 O ALA A 37 10.235 40.319 22.433 1.00 0.00 ATOM 291 C ALA A 37 10.053 40.970 23.470 1.00 0.00 ATOM 292 N ASN A 38 9.361 42.180 23.425 1.00 0.00 ATOM 293 CA ASN A 38 8.704 42.659 22.216 1.00 0.00 ATOM 294 CB ASN A 38 8.280 44.122 22.359 1.00 0.00 ATOM 295 CG ASN A 38 7.096 44.298 23.291 1.00 0.00 ATOM 296 ND2 ASN A 38 6.869 45.530 23.731 1.00 0.00 ATOM 297 OD1 ASN A 38 6.397 43.335 23.608 1.00 0.00 ATOM 298 O ASN A 38 8.952 42.375 19.812 1.00 0.00 ATOM 299 C ASN A 38 9.504 42.606 20.892 1.00 0.00 ATOM 300 N GLU A 39 10.811 42.817 21.001 1.00 0.00 ATOM 301 CA GLU A 39 11.702 42.751 19.846 1.00 0.00 ATOM 302 CB GLU A 39 12.883 43.708 20.025 1.00 0.00 ATOM 303 CG GLU A 39 12.483 45.167 20.167 1.00 0.00 ATOM 304 CD GLU A 39 11.712 45.680 18.967 1.00 0.00 ATOM 305 OE1 GLU A 39 12.197 45.501 17.829 1.00 0.00 ATOM 306 OE2 GLU A 39 10.625 46.261 19.162 1.00 0.00 ATOM 307 O GLU A 39 13.364 41.266 18.975 1.00 0.00 ATOM 308 C GLU A 39 12.370 41.378 19.702 1.00 0.00 ATOM 309 N GLU A 40 11.882 40.370 20.360 1.00 0.00 ATOM 310 CA GLU A 40 12.357 38.995 20.258 1.00 0.00 ATOM 311 CB GLU A 40 12.418 38.678 18.763 1.00 0.00 ATOM 312 CG GLU A 40 11.074 38.750 18.057 1.00 0.00 ATOM 313 CD GLU A 40 11.173 38.434 16.578 1.00 0.00 ATOM 314 OE1 GLU A 40 12.297 38.173 16.102 1.00 0.00 ATOM 315 OE2 GLU A 40 10.128 38.448 15.896 1.00 0.00 ATOM 316 O GLU A 40 14.497 37.856 20.342 1.00 0.00 ATOM 317 C GLU A 40 13.761 38.756 20.806 1.00 0.00 ATOM 318 N GLY A 41 14.196 39.568 21.810 1.00 0.00 ATOM 319 CA GLY A 41 15.501 39.436 22.419 1.00 0.00 ATOM 320 O GLY A 41 14.331 38.985 24.449 1.00 0.00 ATOM 321 C GLY A 41 15.361 38.795 23.794 1.00 0.00 ATOM 322 N ILE A 42 16.403 38.060 24.254 1.00 0.00 ATOM 323 CA ILE A 42 16.357 37.546 25.619 1.00 0.00 ATOM 324 CB ILE A 42 17.591 36.682 25.940 1.00 0.00 ATOM 325 CG1 ILE A 42 17.636 35.456 25.027 1.00 0.00 ATOM 326 CG2 ILE A 42 17.546 36.206 27.385 1.00 0.00 ATOM 327 CD1 ILE A 42 16.475 34.506 25.222 1.00 0.00 ATOM 328 O ILE A 42 17.047 39.546 26.767 1.00 0.00 ATOM 329 C ILE A 42 16.267 38.596 26.720 1.00 0.00 ATOM 330 N PHE A 43 15.298 38.408 27.635 1.00 0.00 ATOM 331 CA PHE A 43 15.110 39.224 28.819 1.00 0.00 ATOM 332 CB PHE A 43 13.649 39.669 28.886 1.00 0.00 ATOM 333 CG PHE A 43 13.316 40.755 27.935 1.00 0.00 ATOM 334 CD1 PHE A 43 12.755 40.467 26.675 1.00 0.00 ATOM 335 CD2 PHE A 43 13.500 42.089 28.312 1.00 0.00 ATOM 336 CE1 PHE A 43 12.402 41.504 25.806 1.00 0.00 ATOM 337 CE2 PHE A 43 13.185 43.142 27.458 1.00 0.00 ATOM 338 CZ PHE A 43 12.618 42.866 26.192 1.00 0.00 ATOM 339 O PHE A 43 14.798 37.251 30.166 1.00 0.00 ATOM 340 C PHE A 43 15.340 38.359 30.054 1.00 0.00 ATOM 341 N PHE A 44 16.166 38.855 30.956 1.00 0.00 ATOM 342 CA PHE A 44 16.540 38.104 32.156 1.00 0.00 ATOM 343 CB PHE A 44 18.038 37.863 32.184 1.00 0.00 ATOM 344 CG PHE A 44 18.477 36.989 33.323 1.00 0.00 ATOM 345 CD1 PHE A 44 18.019 35.680 33.429 1.00 0.00 ATOM 346 CD2 PHE A 44 19.368 37.466 34.280 1.00 0.00 ATOM 347 CE1 PHE A 44 18.443 34.857 34.470 1.00 0.00 ATOM 348 CE2 PHE A 44 19.799 36.654 35.325 1.00 0.00 ATOM 349 CZ PHE A 44 19.336 35.346 35.420 1.00 0.00 ATOM 350 O PHE A 44 16.376 40.246 33.228 1.00 0.00 ATOM 351 C PHE A 44 16.395 39.019 33.357 1.00 0.00 ATOM 352 N MET A 45 16.133 38.437 34.513 1.00 0.00 ATOM 353 CA MET A 45 15.989 39.144 35.772 1.00 0.00 ATOM 354 CB MET A 45 14.589 38.928 36.350 1.00 0.00 ATOM 355 CG MET A 45 13.472 39.520 35.506 1.00 0.00 ATOM 356 SD MET A 45 11.832 39.131 36.151 1.00 0.00 ATOM 357 CE MET A 45 11.821 40.102 37.655 1.00 0.00 ATOM 358 O MET A 45 16.981 37.477 37.201 1.00 0.00 ATOM 359 C MET A 45 17.000 38.654 36.785 1.00 0.00 ATOM 360 N THR A 46 17.935 39.531 37.135 1.00 0.00 ATOM 361 CA THR A 46 19.107 39.097 37.892 1.00 0.00 ATOM 362 CB THR A 46 20.353 39.307 37.070 1.00 0.00 ATOM 363 CG2 THR A 46 21.573 38.811 37.838 1.00 0.00 ATOM 364 OG1 THR A 46 20.299 38.471 35.892 1.00 0.00 ATOM 365 O THR A 46 19.135 41.175 39.155 1.00 0.00 ATOM 366 C THR A 46 19.356 39.968 39.150 1.00 0.00 ATOM 367 N SER A 47 19.828 39.322 40.201 1.00 0.00 ATOM 368 CA SER A 47 20.012 39.942 41.511 1.00 0.00 ATOM 369 CB SER A 47 20.261 38.874 42.578 1.00 0.00 ATOM 370 OG SER A 47 20.521 39.465 43.839 1.00 0.00 ATOM 371 O SER A 47 22.283 40.551 41.034 1.00 0.00 ATOM 372 C SER A 47 21.220 40.875 41.561 1.00 0.00 ATOM 373 N PRO A 48 21.043 42.040 42.178 1.00 0.00 ATOM 374 CA PRO A 48 22.133 43.013 42.293 1.00 0.00 ATOM 375 CB PRO A 48 21.528 44.105 43.168 1.00 0.00 ATOM 376 CG PRO A 48 20.082 44.061 42.805 1.00 0.00 ATOM 377 CD PRO A 48 19.806 42.571 42.774 1.00 0.00 ATOM 378 O PRO A 48 24.436 42.874 42.623 1.00 0.00 ATOM 379 C PRO A 48 23.346 42.411 42.913 1.00 0.00 ATOM 380 N GLU A 49 23.246 41.334 43.807 1.00 0.00 ATOM 381 CA GLU A 49 24.375 40.753 44.479 1.00 0.00 ATOM 382 CB GLU A 49 23.951 40.289 45.873 1.00 0.00 ATOM 383 CG GLU A 49 23.565 41.422 46.813 1.00 0.00 ATOM 384 CD GLU A 49 23.138 40.925 48.179 1.00 0.00 ATOM 385 OE1 GLU A 49 23.076 39.692 48.371 1.00 0.00 ATOM 386 OE2 GLU A 49 22.866 41.767 49.059 1.00 0.00 ATOM 387 O GLU A 49 25.961 38.991 44.161 1.00 0.00 ATOM 388 C GLU A 49 24.921 39.517 43.757 1.00 0.00 ATOM 389 N THR A 50 24.223 39.035 42.741 1.00 0.00 ATOM 390 CA THR A 50 24.741 37.826 42.056 1.00 0.00 ATOM 391 CB THR A 50 23.739 37.297 41.012 1.00 0.00 ATOM 392 CG2 THR A 50 22.424 36.922 41.679 1.00 0.00 ATOM 393 OG1 THR A 50 23.490 38.309 40.030 1.00 0.00 ATOM 394 O THR A 50 26.306 39.284 40.978 1.00 0.00 ATOM 395 C THR A 50 26.069 38.150 41.387 1.00 0.00 ATOM 396 N HIS A 51 26.913 37.222 41.320 1.00 0.00 ATOM 397 CA HIS A 51 28.197 37.429 40.666 1.00 0.00 ATOM 398 CB HIS A 51 29.046 36.157 40.746 1.00 0.00 ATOM 399 CG HIS A 51 29.605 35.889 42.108 1.00 0.00 ATOM 400 CD2 HIS A 51 29.449 34.843 43.108 1.00 0.00 ATOM 401 ND1 HIS A 51 30.505 36.733 42.722 1.00 0.00 ATOM 402 CE1 HIS A 51 30.824 36.230 43.929 1.00 0.00 ATOM 403 NE2 HIS A 51 30.193 35.097 44.166 1.00 0.00 ATOM 404 O HIS A 51 28.847 38.631 38.664 1.00 0.00 ATOM 405 C HIS A 51 28.087 37.770 39.170 1.00 0.00 ATOM 406 N PHE A 52 27.179 37.094 38.451 1.00 0.00 ATOM 407 CA PHE A 52 27.062 37.384 37.024 1.00 0.00 ATOM 408 CB PHE A 52 26.124 36.370 36.384 1.00 0.00 ATOM 409 CG PHE A 52 26.159 36.411 34.882 1.00 0.00 ATOM 410 CD1 PHE A 52 27.082 35.640 34.176 1.00 0.00 ATOM 411 CD2 PHE A 52 25.292 37.236 34.171 1.00 0.00 ATOM 412 CE1 PHE A 52 27.121 35.684 32.773 1.00 0.00 ATOM 413 CE2 PHE A 52 25.336 37.290 32.777 1.00 0.00 ATOM 414 CZ PHE A 52 26.249 36.509 32.087 1.00 0.00 ATOM 415 O PHE A 52 27.149 39.508 35.933 1.00 0.00 ATOM 416 C PHE A 52 26.720 38.870 36.880 1.00 0.00 ATOM 417 N TYR A 53 25.920 39.402 37.818 1.00 0.00 ATOM 418 CA TYR A 53 25.492 40.790 37.703 1.00 0.00 ATOM 419 CB TYR A 53 24.503 41.104 38.827 1.00 0.00 ATOM 420 CG TYR A 53 24.034 42.541 38.848 1.00 0.00 ATOM 421 CD1 TYR A 53 23.059 42.985 37.962 1.00 0.00 ATOM 422 CD2 TYR A 53 24.567 43.452 39.752 1.00 0.00 ATOM 423 CE1 TYR A 53 22.625 44.296 37.973 1.00 0.00 ATOM 424 CE2 TYR A 53 24.145 44.766 39.776 1.00 0.00 ATOM 425 CZ TYR A 53 23.165 45.184 38.877 1.00 0.00 ATOM 426 OH TYR A 53 22.734 46.492 38.890 1.00 0.00 ATOM 427 O TYR A 53 26.881 42.625 37.023 1.00 0.00 ATOM 428 C TYR A 53 26.711 41.705 37.817 1.00 0.00 ATOM 429 N ASP A 54 27.578 41.476 38.822 1.00 0.00 ATOM 430 CA ASP A 54 28.771 42.291 39.002 1.00 0.00 ATOM 431 CB ASP A 54 29.545 41.810 40.232 1.00 0.00 ATOM 432 CG ASP A 54 28.898 42.243 41.533 1.00 0.00 ATOM 433 OD1 ASP A 54 27.996 43.104 41.490 1.00 0.00 ATOM 434 OD2 ASP A 54 29.295 41.720 42.595 1.00 0.00 ATOM 435 O ASP A 54 30.212 43.099 37.271 1.00 0.00 ATOM 436 C ASP A 54 29.634 42.132 37.750 1.00 0.00 ATOM 437 N GLN A 55 29.692 40.914 37.185 1.00 0.00 ATOM 438 CA GLN A 55 30.465 40.669 35.976 1.00 0.00 ATOM 439 CB GLN A 55 30.378 39.196 35.572 1.00 0.00 ATOM 440 CG GLN A 55 31.170 38.259 36.469 1.00 0.00 ATOM 441 CD GLN A 55 31.048 36.808 36.045 1.00 0.00 ATOM 442 OE1 GLN A 55 30.034 36.159 36.303 1.00 0.00 ATOM 443 NE2 GLN A 55 32.085 36.294 35.393 1.00 0.00 ATOM 444 O GLN A 55 30.765 42.142 34.080 1.00 0.00 ATOM 445 C GLN A 55 29.974 41.482 34.776 1.00 0.00 ATOM 446 N LEU A 56 28.665 41.473 34.555 1.00 0.00 ATOM 447 CA LEU A 56 28.063 42.276 33.474 1.00 0.00 ATOM 448 CB LEU A 56 26.572 41.964 33.343 1.00 0.00 ATOM 449 CG LEU A 56 26.213 40.564 32.838 1.00 0.00 ATOM 450 CD1 LEU A 56 24.711 40.337 32.903 1.00 0.00 ATOM 451 CD2 LEU A 56 26.660 40.383 31.396 1.00 0.00 ATOM 452 O LEU A 56 28.335 44.538 32.709 1.00 0.00 ATOM 453 C LEU A 56 28.193 43.779 33.688 1.00 0.00 ATOM 454 N MET A 57 28.102 44.211 34.954 1.00 0.00 ATOM 455 CA MET A 57 28.374 45.621 35.315 1.00 0.00 ATOM 456 CB MET A 57 28.218 45.828 36.823 1.00 0.00 ATOM 457 CG MET A 57 26.786 45.716 37.320 1.00 0.00 ATOM 458 SD MET A 57 25.697 46.952 36.587 1.00 0.00 ATOM 459 CE MET A 57 26.327 48.450 37.341 1.00 0.00 ATOM 460 O MET A 57 29.990 47.145 34.368 1.00 0.00 ATOM 461 C MET A 57 29.794 46.065 34.922 1.00 0.00 ATOM 462 N GLY A 58 30.781 45.220 35.175 1.00 0.00 ATOM 463 CA GLY A 58 32.157 45.545 34.826 1.00 0.00 ATOM 464 O GLY A 58 33.259 46.079 32.750 1.00 0.00 ATOM 465 C GLY A 58 32.438 45.356 33.320 1.00 0.00 ATOM 466 N ASP A 59 31.762 44.395 32.685 1.00 0.00 ATOM 467 CA ASP A 59 31.878 44.207 31.217 1.00 0.00 ATOM 468 CB ASP A 59 33.091 43.336 30.884 1.00 0.00 ATOM 469 CG ASP A 59 33.290 43.163 29.391 1.00 0.00 ATOM 470 OD1 ASP A 59 32.416 43.609 28.619 1.00 0.00 ATOM 471 OD2 ASP A 59 34.320 42.579 28.992 1.00 0.00 ATOM 472 O ASP A 59 30.414 42.322 30.911 1.00 0.00 ATOM 473 C ASP A 59 30.615 43.517 30.704 1.00 0.00 ATOM 474 N GLN A 60 29.740 44.232 29.973 1.00 0.00 ATOM 475 CA GLN A 60 28.462 43.728 29.477 1.00 0.00 ATOM 476 CB GLN A 60 27.609 44.879 28.940 1.00 0.00 ATOM 477 CG GLN A 60 28.164 45.529 27.683 1.00 0.00 ATOM 478 CD GLN A 60 29.110 46.673 27.988 1.00 0.00 ATOM 479 OE1 GLN A 60 29.896 46.607 28.933 1.00 0.00 ATOM 480 NE2 GLN A 60 29.038 47.728 27.185 1.00 0.00 ATOM 481 O GLN A 60 27.521 42.124 27.984 1.00 0.00 ATOM 482 C GLN A 60 28.540 42.695 28.346 1.00 0.00 ATOM 483 N ARG A 61 29.740 42.440 27.817 1.00 0.00 ATOM 484 CA ARG A 61 29.874 41.510 26.696 1.00 0.00 ATOM 485 CB ARG A 61 31.193 41.749 25.959 1.00 0.00 ATOM 486 CG ARG A 61 31.376 40.893 24.718 1.00 0.00 ATOM 487 CD ARG A 61 32.694 41.198 24.025 1.00 0.00 ATOM 488 NE ARG A 61 32.878 40.395 22.819 1.00 0.00 ATOM 489 CZ ARG A 61 34.003 40.351 22.115 1.00 0.00 ATOM 490 NH1 ARG A 61 34.078 39.591 21.030 1.00 0.00 ATOM 491 NH2 ARG A 61 35.054 41.066 22.497 1.00 0.00 ATOM 492 O ARG A 61 30.762 39.582 27.830 1.00 0.00 ATOM 493 C ARG A 61 29.851 40.055 27.162 1.00 0.00 ATOM 494 N VAL A 62 28.929 39.298 26.681 1.00 0.00 ATOM 495 CA VAL A 62 28.641 37.966 27.228 1.00 0.00 ATOM 496 CB VAL A 62 27.525 38.019 28.288 1.00 0.00 ATOM 497 CG1 VAL A 62 27.961 38.861 29.478 1.00 0.00 ATOM 498 CG2 VAL A 62 26.262 38.631 27.703 1.00 0.00 ATOM 499 O VAL A 62 28.011 37.343 24.991 1.00 0.00 ATOM 500 C VAL A 62 28.195 36.992 26.173 1.00 0.00 ATOM 501 N ALA A 63 28.037 35.746 26.604 1.00 0.00 ATOM 502 CA ALA A 63 27.574 34.670 25.736 1.00 0.00 ATOM 503 CB ALA A 63 28.651 33.603 25.594 1.00 0.00 ATOM 504 O ALA A 63 26.309 33.972 27.597 1.00 0.00 ATOM 505 C ALA A 63 26.349 34.079 26.374 1.00 0.00 ATOM 506 N MET A 64 25.359 33.682 25.571 1.00 0.00 ATOM 507 CA MET A 64 24.236 32.917 26.086 1.00 0.00 ATOM 508 CB MET A 64 22.947 33.733 25.988 1.00 0.00 ATOM 509 CG MET A 64 21.709 33.004 26.486 1.00 0.00 ATOM 510 SD MET A 64 20.240 34.048 26.492 1.00 0.00 ATOM 511 CE MET A 64 19.884 34.141 24.739 1.00 0.00 ATOM 512 O MET A 64 23.930 31.690 24.031 1.00 0.00 ATOM 513 C MET A 64 24.094 31.636 25.254 1.00 0.00 ATOM 514 N THR A 65 24.268 30.485 25.762 1.00 0.00 ATOM 515 CA THR A 65 24.076 29.234 24.996 1.00 0.00 ATOM 516 CB THR A 65 25.225 28.240 25.242 1.00 0.00 ATOM 517 CG2 THR A 65 24.995 26.957 24.458 1.00 0.00 ATOM 518 OG1 THR A 65 26.464 28.825 24.823 1.00 0.00 ATOM 519 O THR A 65 22.551 28.311 26.592 1.00 0.00 ATOM 520 C THR A 65 22.782 28.554 25.394 1.00 0.00 ATOM 521 N ALA A 66 21.944 28.278 24.393 1.00 0.00 ATOM 522 CA ALA A 66 20.713 27.530 24.603 1.00 0.00 ATOM 523 CB ALA A 66 19.506 28.400 24.290 1.00 0.00 ATOM 524 O ALA A 66 21.122 26.322 22.534 1.00 0.00 ATOM 525 C ALA A 66 20.673 26.297 23.691 1.00 0.00 ATOM 526 N ILE A 67 20.246 25.063 24.192 1.00 0.00 ATOM 527 CA ILE A 67 20.300 23.772 23.545 1.00 0.00 ATOM 528 CB ILE A 67 21.607 23.029 23.877 1.00 0.00 ATOM 529 CG1 ILE A 67 21.752 21.786 22.997 1.00 0.00 ATOM 530 CG2 ILE A 67 21.620 22.594 25.334 1.00 0.00 ATOM 531 CD1 ILE A 67 23.143 21.189 23.008 1.00 0.00 ATOM 532 O ILE A 67 18.270 23.383 24.748 1.00 0.00 ATOM 533 C ILE A 67 19.035 22.994 23.865 1.00 0.00 ATOM 534 N SER A 68 18.814 21.937 23.072 1.00 0.00 ATOM 535 CA SER A 68 17.638 21.111 23.294 1.00 0.00 ATOM 536 CB SER A 68 17.666 19.958 22.290 1.00 0.00 ATOM 537 OG SER A 68 17.466 20.428 20.968 1.00 0.00 ATOM 538 O SER A 68 18.738 20.191 25.220 1.00 0.00 ATOM 539 C SER A 68 17.677 20.560 24.715 1.00 0.00 ATOM 540 N GLU A 69 16.534 20.513 25.359 1.00 0.00 ATOM 541 CA GLU A 69 16.448 20.024 26.729 1.00 0.00 ATOM 542 CB GLU A 69 15.008 20.106 27.240 1.00 0.00 ATOM 543 CG GLU A 69 14.521 21.523 27.497 1.00 0.00 ATOM 544 CD GLU A 69 13.063 21.570 27.916 1.00 0.00 ATOM 545 OE1 GLU A 69 12.412 20.505 27.919 1.00 0.00 ATOM 546 OE2 GLU A 69 12.574 22.673 28.239 1.00 0.00 ATOM 547 O GLU A 69 17.146 18.208 28.180 1.00 0.00 ATOM 548 C GLU A 69 16.878 18.583 27.012 1.00 0.00 ATOM 549 N GLU A 70 16.959 17.767 25.949 1.00 0.00 ATOM 550 CA GLU A 70 17.422 16.397 26.089 1.00 0.00 ATOM 551 CB GLU A 70 16.606 15.467 25.188 1.00 0.00 ATOM 552 CG GLU A 70 15.140 15.357 25.578 1.00 0.00 ATOM 553 CD GLU A 70 14.357 14.453 24.646 1.00 0.00 ATOM 554 OE1 GLU A 70 14.975 13.853 23.741 1.00 0.00 ATOM 555 OE2 GLU A 70 13.125 14.346 24.819 1.00 0.00 ATOM 556 O GLU A 70 19.447 15.181 25.876 1.00 0.00 ATOM 557 C GLU A 70 18.926 16.309 25.844 1.00 0.00 ATOM 558 N GLY A 71 19.625 17.458 25.580 1.00 0.00 ATOM 559 CA GLY A 71 21.059 17.433 25.317 1.00 0.00 ATOM 560 O GLY A 71 22.607 16.821 23.642 1.00 0.00 ATOM 561 C GLY A 71 21.442 17.139 23.899 1.00 0.00 ATOM 562 N TYR A 72 20.462 17.165 22.945 1.00 0.00 ATOM 563 CA TYR A 72 20.686 16.774 21.569 1.00 0.00 ATOM 564 CB TYR A 72 19.425 16.143 20.978 1.00 0.00 ATOM 565 CG TYR A 72 19.091 14.784 21.554 1.00 0.00 ATOM 566 CD1 TYR A 72 18.189 14.658 22.604 1.00 0.00 ATOM 567 CD2 TYR A 72 19.680 13.634 21.047 1.00 0.00 ATOM 568 CE1 TYR A 72 17.879 13.422 23.135 1.00 0.00 ATOM 569 CE2 TYR A 72 19.382 12.389 21.568 1.00 0.00 ATOM 570 CZ TYR A 72 18.473 12.291 22.621 1.00 0.00 ATOM 571 OH TYR A 72 18.166 11.058 23.151 1.00 0.00 ATOM 572 O TYR A 72 20.455 19.110 20.957 1.00 0.00 ATOM 573 C TYR A 72 21.060 18.058 20.776 1.00 0.00 ATOM 574 N LEU A 73 22.061 17.922 19.912 1.00 0.00 ATOM 575 CA LEU A 73 22.457 18.997 19.005 1.00 0.00 ATOM 576 CB LEU A 73 23.568 18.486 18.060 1.00 0.00 ATOM 577 CG LEU A 73 24.215 19.453 17.062 1.00 0.00 ATOM 578 CD1 LEU A 73 24.765 20.696 17.760 1.00 0.00 ATOM 579 CD2 LEU A 73 25.324 18.723 16.313 1.00 0.00 ATOM 580 O LEU A 73 21.281 20.728 17.832 1.00 0.00 ATOM 581 C LEU A 73 21.310 19.540 18.155 1.00 0.00 ATOM 582 N ILE A 74 20.366 18.679 17.783 1.00 0.00 ATOM 583 CA ILE A 74 19.245 19.118 16.963 1.00 0.00 ATOM 584 CB ILE A 74 18.200 18.136 16.715 1.00 0.00 ATOM 585 CG1 ILE A 74 17.213 18.693 15.689 1.00 0.00 ATOM 586 CG2 ILE A 74 17.470 17.704 17.980 1.00 0.00 ATOM 587 CD1 ILE A 74 17.846 19.006 14.348 1.00 0.00 ATOM 588 O ILE A 74 18.012 21.150 17.261 1.00 0.00 ATOM 589 C ILE A 74 18.426 20.112 17.782 1.00 0.00 ATOM 590 N GLN A 75 20.322 20.640 17.842 1.00 0.00 ATOM 591 CA GLN A 75 20.792 21.995 17.553 1.00 0.00 ATOM 592 CB GLN A 75 19.671 22.830 16.930 1.00 0.00 ATOM 593 CG GLN A 75 18.502 23.095 17.866 1.00 0.00 ATOM 594 CD GLN A 75 17.357 23.812 17.177 1.00 0.00 ATOM 595 OE1 GLN A 75 17.486 24.258 16.038 1.00 0.00 ATOM 596 NE2 GLN A 75 16.230 23.925 17.870 1.00 0.00 ATOM 597 O GLN A 75 20.755 22.359 19.938 1.00 0.00 ATOM 598 C GLN A 75 21.249 22.673 18.845 1.00 0.00 ATOM 599 N VAL A 76 22.231 23.560 18.725 1.00 0.00 ATOM 600 CA VAL A 76 22.619 24.456 19.831 1.00 0.00 ATOM 601 CB VAL A 76 23.933 24.000 20.493 1.00 0.00 ATOM 602 CG1 VAL A 76 25.079 24.056 19.495 1.00 0.00 ATOM 603 CG2 VAL A 76 24.276 24.899 21.670 1.00 0.00 ATOM 604 O VAL A 76 23.208 26.002 18.093 1.00 0.00 ATOM 605 C VAL A 76 22.787 25.827 19.260 1.00 0.00 ATOM 606 N VAL A 77 22.447 26.834 20.052 1.00 0.00 ATOM 607 CA VAL A 77 22.681 28.224 19.673 1.00 0.00 ATOM 608 CB VAL A 77 21.309 28.908 19.536 1.00 0.00 ATOM 609 CG1 VAL A 77 21.478 30.368 19.143 1.00 0.00 ATOM 610 CG2 VAL A 77 20.473 28.218 18.469 1.00 0.00 ATOM 611 O VAL A 77 23.246 28.889 21.905 1.00 0.00 ATOM 612 C VAL A 77 23.496 28.988 20.704 1.00 0.00 ATOM 613 N ARG A 78 24.464 29.754 20.217 1.00 0.00 ATOM 614 CA ARG A 78 25.312 30.555 21.085 1.00 0.00 ATOM 615 CB ARG A 78 26.812 30.264 20.990 1.00 0.00 ATOM 616 CG ARG A 78 27.672 31.139 21.887 1.00 0.00 ATOM 617 CD ARG A 78 29.138 30.748 21.796 1.00 0.00 ATOM 618 NE ARG A 78 29.976 31.557 22.678 1.00 0.00 ATOM 619 CZ ARG A 78 31.303 31.511 22.697 1.00 0.00 ATOM 620 NH1 ARG A 78 31.982 32.283 23.534 1.00 0.00 ATOM 621 NH2 ARG A 78 31.950 30.690 21.882 1.00 0.00 ATOM 622 O ARG A 78 25.429 32.367 19.522 1.00 0.00 ATOM 623 C ARG A 78 25.116 31.998 20.656 1.00 0.00 ATOM 624 N VAL A 79 24.556 32.795 21.552 1.00 0.00 ATOM 625 CA VAL A 79 24.327 34.201 21.267 1.00 0.00 ATOM 626 CB VAL A 79 23.013 34.698 21.899 1.00 0.00 ATOM 627 CG1 VAL A 79 22.855 36.196 21.691 1.00 0.00 ATOM 628 CG2 VAL A 79 21.820 33.996 21.266 1.00 0.00 ATOM 629 O VAL A 79 25.755 34.782 23.074 1.00 0.00 ATOM 630 C VAL A 79 25.487 34.957 21.886 1.00 0.00 ATOM 631 N GLU A 80 26.134 35.813 21.091 1.00 0.00 ATOM 632 CA GLU A 80 27.096 36.814 21.617 1.00 0.00 ATOM 633 CB GLU A 80 28.271 36.986 20.653 1.00 0.00 ATOM 634 CG GLU A 80 29.308 37.998 21.112 1.00 0.00 ATOM 635 CD GLU A 80 30.443 38.161 20.121 1.00 0.00 ATOM 636 OE1 GLU A 80 30.426 37.470 19.080 1.00 0.00 ATOM 637 OE2 GLU A 80 31.346 38.981 20.382 1.00 0.00 ATOM 638 O GLU A 80 25.741 38.563 20.750 1.00 0.00 ATOM 639 C GLU A 80 26.343 38.110 21.740 1.00 0.00 ATOM 640 N GLY A 81 26.352 38.709 22.937 1.00 0.00 ATOM 641 CA GLY A 81 25.456 39.844 23.216 1.00 0.00 ATOM 642 O GLY A 81 27.191 40.581 24.706 1.00 0.00 ATOM 643 C GLY A 81 26.118 40.853 24.139 1.00 0.00 ATOM 644 N THR A 82 25.508 42.046 24.222 1.00 0.00 ATOM 645 CA THR A 82 25.856 43.058 25.225 1.00 0.00 ATOM 646 CB THR A 82 26.130 44.426 24.575 1.00 0.00 ATOM 647 CG2 THR A 82 26.472 45.462 25.634 1.00 0.00 ATOM 648 OG1 THR A 82 27.231 44.314 23.664 1.00 0.00 ATOM 649 O THR A 82 23.580 43.394 25.749 1.00 0.00 ATOM 650 C THR A 82 24.682 43.162 26.187 1.00 0.00 ATOM 651 N ALA A 83 24.883 42.926 27.474 1.00 0.00 ATOM 652 CA ALA A 83 23.758 42.990 28.388 1.00 0.00 ATOM 653 CB ALA A 83 24.038 42.188 29.651 1.00 0.00 ATOM 654 O ALA A 83 24.468 45.184 29.041 1.00 0.00 ATOM 655 C ALA A 83 23.521 44.448 28.805 1.00 0.00 ATOM 656 N ARG A 84 22.262 44.879 28.812 1.00 0.00 ATOM 657 CA ARG A 84 21.925 46.253 29.203 1.00 0.00 ATOM 658 CB ARG A 84 21.960 47.293 28.430 1.00 0.00 ATOM 659 CG ARG A 84 23.315 47.961 28.617 1.00 0.00 ATOM 660 CD ARG A 84 23.592 48.922 27.467 1.00 0.00 ATOM 661 NE ARG A 84 22.516 49.896 27.310 1.00 0.00 ATOM 662 CZ ARG A 84 22.322 50.637 26.224 1.00 0.00 ATOM 663 NH1 ARG A 84 23.132 50.525 25.178 1.00 0.00 ATOM 664 NH2 ARG A 84 21.313 51.490 26.185 1.00 0.00 ATOM 665 O ARG A 84 19.797 45.548 29.990 1.00 0.00 ATOM 666 C ARG A 84 20.822 46.190 30.236 1.00 0.00 ATOM 667 N PRO A 85 21.020 46.855 31.380 1.00 0.00 ATOM 668 CA PRO A 85 19.971 46.970 32.383 1.00 0.00 ATOM 669 CB PRO A 85 20.699 47.499 33.621 1.00 0.00 ATOM 670 CG PRO A 85 21.898 48.201 33.078 1.00 0.00 ATOM 671 CD PRO A 85 22.290 47.455 31.835 1.00 0.00 ATOM 672 O PRO A 85 19.273 49.044 31.385 1.00 0.00 ATOM 673 C PRO A 85 18.919 47.954 31.867 1.00 0.00 ATOM 674 N VAL A 86 17.653 47.545 31.931 1.00 0.00 ATOM 675 CA VAL A 86 16.531 48.330 31.402 1.00 0.00 ATOM 676 CB VAL A 86 15.299 47.485 31.256 1.00 0.00 ATOM 677 CG1 VAL A 86 14.829 47.007 32.573 1.00 0.00 ATOM 678 CG2 VAL A 86 14.139 48.252 30.540 1.00 0.00 ATOM 679 O VAL A 86 16.480 49.581 33.444 1.00 0.00 ATOM 680 C VAL A 86 16.350 49.600 32.209 1.00 0.00 ATOM 681 N GLU A 87 16.045 50.696 31.514 1.00 0.00 ATOM 682 CA GLU A 87 15.710 51.957 32.165 1.00 0.00 ATOM 683 CB GLU A 87 15.588 53.079 31.131 1.00 0.00 ATOM 684 CG GLU A 87 16.899 53.444 30.454 1.00 0.00 ATOM 685 CD GLU A 87 16.749 54.593 29.476 1.00 0.00 ATOM 686 OE1 GLU A 87 15.613 55.080 29.303 1.00 0.00 ATOM 687 OE2 GLU A 87 17.768 55.005 28.884 1.00 0.00 ATOM 688 O GLU A 87 13.623 50.899 32.682 1.00 0.00 ATOM 689 C GLU A 87 14.388 51.825 32.928 1.00 0.00 ATOM 690 N ASN A 88 14.142 52.729 33.870 1.00 0.00 ATOM 691 CA ASN A 88 12.885 52.754 34.624 1.00 0.00 ATOM 692 CB ASN A 88 12.799 54.022 35.476 1.00 0.00 ATOM 693 CG ASN A 88 13.716 53.976 36.682 1.00 0.00 ATOM 694 ND2 ASN A 88 13.954 55.133 37.288 1.00 0.00 ATOM 695 OD1 ASN A 88 14.204 52.911 37.063 1.00 0.00 ATOM 696 O ASN A 88 10.648 52.065 34.050 1.00 0.00 ATOM 697 C ASN A 88 11.630 52.726 33.725 1.00 0.00 ATOM 698 N ASP A 89 11.683 53.434 32.593 1.00 0.00 ATOM 699 CA ASP A 89 10.564 53.494 31.657 1.00 0.00 ATOM 700 CB ASP A 89 10.854 54.501 30.543 1.00 0.00 ATOM 701 CG ASP A 89 10.795 55.938 31.023 1.00 0.00 ATOM 702 OD1 ASP A 89 10.294 56.168 32.144 1.00 0.00 ATOM 703 OD2 ASP A 89 11.249 56.833 30.281 1.00 0.00 ATOM 704 O ASP A 89 9.158 51.908 30.541 1.00 0.00 ATOM 705 C ASP A 89 10.280 52.165 30.990 1.00 0.00 ATOM 706 N TYR A 90 11.261 51.279 30.887 1.00 0.00 ATOM 707 CA TYR A 90 11.086 49.977 30.245 1.00 0.00 ATOM 708 CB TYR A 90 12.320 49.798 29.235 1.00 0.00 ATOM 709 CG TYR A 90 12.190 50.536 27.922 1.00 0.00 ATOM 710 CD1 TYR A 90 12.563 51.877 27.807 1.00 0.00 ATOM 711 CD2 TYR A 90 11.693 49.890 26.793 1.00 0.00 ATOM 712 CE1 TYR A 90 12.447 52.554 26.592 1.00 0.00 ATOM 713 CE2 TYR A 90 11.568 50.558 25.574 1.00 0.00 ATOM 714 CZ TYR A 90 11.950 51.889 25.484 1.00 0.00 ATOM 715 OH TYR A 90 11.838 52.542 24.274 1.00 0.00 ATOM 716 O TYR A 90 10.316 47.763 30.791 1.00 0.00 ATOM 717 C TYR A 90 10.697 48.853 31.222 1.00 0.00 ATOM 718 N LEU A 91 10.755 49.065 32.486 1.00 0.00 ATOM 719 CA LEU A 91 10.597 48.038 33.527 1.00 0.00 ATOM 720 CB LEU A 91 10.904 48.592 34.920 1.00 0.00 ATOM 721 CG LEU A 91 12.365 48.946 35.203 1.00 0.00 ATOM 722 CD1 LEU A 91 12.498 49.648 36.547 1.00 0.00 ATOM 723 CD2 LEU A 91 13.225 47.692 35.236 1.00 0.00 ATOM 724 O LEU A 91 9.051 46.201 33.745 1.00 0.00 ATOM 725 C LEU A 91 9.197 47.437 33.603 1.00 0.00 ATOM 726 N LYS A 92 8.175 48.295 33.497 1.00 0.00 ATOM 727 CA LYS A 92 6.785 47.844 33.643 1.00 0.00 ATOM 728 CB LYS A 92 5.821 49.026 33.524 1.00 0.00 ATOM 729 CG LYS A 92 4.358 48.656 33.704 1.00 0.00 ATOM 730 CD LYS A 92 3.466 49.886 33.644 1.00 0.00 ATOM 731 CE LYS A 92 1.999 49.510 33.775 1.00 0.00 ATOM 732 NZ LYS A 92 1.112 50.702 33.694 1.00 0.00 ATOM 733 O LYS A 92 5.813 45.779 32.915 1.00 0.00 ATOM 734 C LYS A 92 6.370 46.823 32.579 1.00 0.00 ATOM 735 N THR A 93 6.669 47.107 31.308 1.00 0.00 ATOM 736 CA THR A 93 6.389 46.152 30.227 1.00 0.00 ATOM 737 CB THR A 93 6.739 46.741 28.848 1.00 0.00 ATOM 738 CG2 THR A 93 6.482 45.718 27.752 1.00 0.00 ATOM 739 OG1 THR A 93 5.931 47.898 28.601 1.00 0.00 ATOM 740 O THR A 93 6.697 43.772 30.214 1.00 0.00 ATOM 741 C THR A 93 7.198 44.891 30.429 1.00 0.00 ATOM 742 N VAL A 94 8.501 44.982 30.800 1.00 0.00 ATOM 743 CA VAL A 94 9.341 43.814 31.024 1.00 0.00 ATOM 744 CB VAL A 94 10.682 44.290 31.452 1.00 0.00 ATOM 745 CG1 VAL A 94 11.476 43.113 32.009 1.00 0.00 ATOM 746 CG2 VAL A 94 11.371 44.938 30.227 1.00 0.00 ATOM 747 O VAL A 94 8.694 41.695 31.951 1.00 0.00 ATOM 748 C VAL A 94 8.757 42.914 32.111 1.00 0.00 ATOM 749 N PHE A 95 8.343 43.516 33.190 1.00 0.00 ATOM 750 CA PHE A 95 7.776 42.738 34.285 1.00 0.00 ATOM 751 CB PHE A 95 7.409 43.481 35.515 1.00 0.00 ATOM 752 CG PHE A 95 8.565 44.247 36.144 1.00 0.00 ATOM 753 CD1 PHE A 95 9.817 43.609 36.224 1.00 0.00 ATOM 754 CD2 PHE A 95 8.343 45.503 36.667 1.00 0.00 ATOM 755 CE1 PHE A 95 10.881 44.323 36.793 1.00 0.00 ATOM 756 CE2 PHE A 95 9.434 46.212 37.271 1.00 0.00 ATOM 757 CZ PHE A 95 10.683 45.581 37.312 1.00 0.00 ATOM 758 O PHE A 95 6.284 40.870 34.172 1.00 0.00 ATOM 759 C PHE A 95 6.469 42.050 33.908 1.00 0.00 ATOM 760 N ALA A 96 5.558 42.788 33.282 1.00 0.00 ATOM 761 CA ALA A 96 4.275 42.210 32.900 1.00 0.00 ATOM 762 CB ALA A 96 3.478 43.198 32.061 1.00 0.00 ATOM 763 O ALA A 96 3.778 39.912 32.328 1.00 0.00 ATOM 764 C ALA A 96 4.427 40.937 32.079 1.00 0.00 ATOM 765 N ASP A 97 5.350 40.937 30.936 1.00 0.00 ATOM 766 CA ASP A 97 5.558 39.827 30.042 1.00 0.00 ATOM 767 CB ASP A 97 6.283 40.287 28.776 1.00 0.00 ATOM 768 CG ASP A 97 5.400 41.125 27.871 1.00 0.00 ATOM 769 OD1 ASP A 97 4.171 41.136 28.086 1.00 0.00 ATOM 770 OD2 ASP A 97 5.939 41.770 26.947 1.00 0.00 ATOM 771 O ASP A 97 6.074 37.535 30.550 1.00 0.00 ATOM 772 C ASP A 97 6.398 38.719 30.674 1.00 0.00 ATOM 773 N ASN A 98 7.521 39.113 31.313 1.00 0.00 ATOM 774 CA ASN A 98 8.432 38.110 31.869 1.00 0.00 ATOM 775 CB ASN A 98 9.637 38.822 32.487 1.00 0.00 ATOM 776 CG ASN A 98 10.621 39.316 31.446 1.00 0.00 ATOM 777 ND2 ASN A 98 11.465 40.265 31.834 1.00 0.00 ATOM 778 OD1 ASN A 98 10.619 38.849 30.307 1.00 0.00 ATOM 779 O ASN A 98 7.861 36.105 33.058 1.00 0.00 ATOM 780 C ASN A 98 7.730 37.327 32.985 1.00 0.00 ATOM 781 N PRO A 99 6.993 38.019 33.857 1.00 0.00 ATOM 782 CA PRO A 99 6.240 37.311 34.904 1.00 0.00 ATOM 783 CB PRO A 99 5.755 38.385 35.851 1.00 0.00 ATOM 784 CG PRO A 99 6.808 39.451 35.690 1.00 0.00 ATOM 785 CD PRO A 99 7.095 39.391 34.228 1.00 0.00 ATOM 786 O PRO A 99 4.757 35.420 35.101 1.00 0.00 ATOM 787 C PRO A 99 5.139 36.363 34.416 1.00 0.00 ATOM 788 N TYR A 100 5.660 34.936 32.199 1.00 0.00 ATOM 789 CA TYR A 100 6.450 33.716 32.064 1.00 0.00 ATOM 790 CB TYR A 100 7.705 33.980 31.229 1.00 0.00 ATOM 791 CG TYR A 100 7.436 34.129 29.749 1.00 0.00 ATOM 792 CD1 TYR A 100 7.465 35.379 29.143 1.00 0.00 ATOM 793 CD2 TYR A 100 7.152 33.021 28.962 1.00 0.00 ATOM 794 CE1 TYR A 100 7.221 35.525 27.791 1.00 0.00 ATOM 795 CE2 TYR A 100 6.905 33.148 27.608 1.00 0.00 ATOM 796 CZ TYR A 100 6.942 34.413 27.026 1.00 0.00 ATOM 797 OH TYR A 100 6.698 34.555 25.679 1.00 0.00 ATOM 798 O TYR A 100 6.924 31.917 33.576 1.00 0.00 ATOM 799 C TYR A 100 6.926 33.134 33.403 1.00 0.00 ATOM 800 N TYR A 101 7.328 34.001 34.331 1.00 0.00 ATOM 801 CA TYR A 101 7.882 33.571 35.616 1.00 0.00 ATOM 802 CB TYR A 101 9.369 33.917 35.702 1.00 0.00 ATOM 803 CG TYR A 101 10.203 33.316 34.591 1.00 0.00 ATOM 804 CD1 TYR A 101 10.612 34.089 33.513 1.00 0.00 ATOM 805 CD2 TYR A 101 10.576 31.979 34.626 1.00 0.00 ATOM 806 CE1 TYR A 101 11.374 33.549 32.493 1.00 0.00 ATOM 807 CE2 TYR A 101 11.337 31.422 33.615 1.00 0.00 ATOM 808 CZ TYR A 101 11.735 32.219 32.545 1.00 0.00 ATOM 809 OH TYR A 101 12.493 31.680 31.532 1.00 0.00 ATOM 810 O TYR A 101 7.719 35.140 37.432 1.00 0.00 ATOM 811 C TYR A 101 7.155 34.267 36.785 1.00 0.00 ATOM 812 N GLN A 102 5.927 33.835 37.070 1.00 0.00 ATOM 813 CA GLN A 102 5.142 34.501 38.090 1.00 0.00 ATOM 814 CB GLN A 102 3.730 33.911 38.149 1.00 0.00 ATOM 815 CG GLN A 102 2.797 34.631 39.108 1.00 0.00 ATOM 816 CD GLN A 102 2.556 36.076 38.713 1.00 0.00 ATOM 817 OE1 GLN A 102 2.312 36.377 37.544 1.00 0.00 ATOM 818 NE2 GLN A 102 2.627 36.975 39.688 1.00 0.00 ATOM 819 O GLN A 102 5.842 35.281 40.246 1.00 0.00 ATOM 820 C GLN A 102 5.780 34.339 39.464 1.00 0.00 ATOM 821 N HIS A 103 6.279 33.153 39.754 1.00 0.00 ATOM 822 CA HIS A 103 6.851 32.896 41.065 1.00 0.00 ATOM 823 CB HIS A 103 7.237 31.421 41.204 1.00 0.00 ATOM 824 CG HIS A 103 7.802 31.069 42.545 1.00 0.00 ATOM 825 CD2 HIS A 103 9.112 30.689 43.053 1.00 0.00 ATOM 826 ND1 HIS A 103 7.038 31.050 43.692 1.00 0.00 ATOM 827 CE1 HIS A 103 7.817 30.700 44.731 1.00 0.00 ATOM 828 NE2 HIS A 103 9.063 30.481 44.355 1.00 0.00 ATOM 829 O HIS A 103 8.248 34.273 42.440 1.00 0.00 ATOM 830 C HIS A 103 8.105 33.720 41.350 1.00 0.00 ATOM 831 N ILE A 104 9.007 33.808 40.384 1.00 0.00 ATOM 832 CA ILE A 104 10.232 34.558 40.630 1.00 0.00 ATOM 833 CB ILE A 104 11.196 34.470 39.432 1.00 0.00 ATOM 834 CG1 ILE A 104 11.724 33.042 39.275 1.00 0.00 ATOM 835 CG2 ILE A 104 12.381 35.402 39.635 1.00 0.00 ATOM 836 CD1 ILE A 104 12.462 32.805 37.977 1.00 0.00 ATOM 837 O ILE A 104 10.539 36.583 41.854 1.00 0.00 ATOM 838 C ILE A 104 10.000 36.040 40.896 1.00 0.00 ATOM 839 N TYR A 105 9.180 36.693 40.080 1.00 0.00 ATOM 840 CA TYR A 105 8.912 38.116 40.301 1.00 0.00 ATOM 841 CB TYR A 105 8.087 38.689 39.146 1.00 0.00 ATOM 842 CG TYR A 105 7.834 40.176 39.254 1.00 0.00 ATOM 843 CD1 TYR A 105 8.842 41.092 38.978 1.00 0.00 ATOM 844 CD2 TYR A 105 6.588 40.660 39.630 1.00 0.00 ATOM 845 CE1 TYR A 105 8.619 42.451 39.075 1.00 0.00 ATOM 846 CE2 TYR A 105 6.347 42.017 39.731 1.00 0.00 ATOM 847 CZ TYR A 105 7.376 42.914 39.450 1.00 0.00 ATOM 848 OH TYR A 105 7.153 44.268 39.546 1.00 0.00 ATOM 849 O TYR A 105 8.335 39.352 42.285 1.00 0.00 ATOM 850 C TYR A 105 8.138 38.349 41.596 1.00 0.00 ATOM 851 N LYS A 106 7.261 37.412 41.953 1.00 0.00 ATOM 852 CA LYS A 106 6.526 37.539 43.199 1.00 0.00 ATOM 853 CB LYS A 106 5.486 36.424 43.325 1.00 0.00 ATOM 854 CG LYS A 106 4.625 36.514 44.574 1.00 0.00 ATOM 855 CD LYS A 106 3.557 35.434 44.587 1.00 0.00 ATOM 856 CE LYS A 106 2.711 35.510 45.849 1.00 0.00 ATOM 857 NZ LYS A 106 1.673 34.442 45.887 1.00 0.00 ATOM 858 O LYS A 106 7.324 38.223 45.351 1.00 0.00 ATOM 859 C LYS A 106 7.471 37.452 44.408 1.00 0.00 ATOM 860 N ASP A 107 8.538 36.529 44.377 1.00 0.00 ATOM 861 CA ASP A 107 9.514 36.463 45.467 1.00 0.00 ATOM 862 CB ASP A 107 10.565 35.389 45.183 1.00 0.00 ATOM 863 CG ASP A 107 10.020 33.982 45.337 1.00 0.00 ATOM 864 OD1 ASP A 107 8.908 33.834 45.888 1.00 0.00 ATOM 865 OD2 ASP A 107 10.702 33.030 44.905 1.00 0.00 ATOM 866 O ASP A 107 10.532 38.250 46.740 1.00 0.00 ATOM 867 C ASP A 107 10.224 37.815 45.625 1.00 0.00 ATOM 868 N GLU A 108 10.530 38.457 44.497 1.00 0.00 ATOM 869 CA GLU A 108 11.130 39.799 44.507 1.00 0.00 ATOM 870 CB GLU A 108 12.313 39.965 43.736 1.00 0.00 ATOM 871 CG GLU A 108 13.498 39.330 44.467 1.00 0.00 ATOM 872 CD GLU A 108 13.539 39.711 45.949 1.00 0.00 ATOM 873 OE1 GLU A 108 13.348 38.821 46.813 1.00 0.00 ATOM 874 OE2 GLU A 108 13.752 40.904 46.248 1.00 0.00 ATOM 875 O GLU A 108 9.652 41.643 44.244 1.00 0.00 ATOM 876 C GLU A 108 10.288 40.960 45.035 1.00 0.00 ATOM 877 N SER A 109 10.269 41.246 46.288 1.00 0.00 ATOM 878 CA SER A 109 9.446 42.313 46.853 1.00 0.00 ATOM 879 CB SER A 109 9.037 41.977 48.289 1.00 0.00 ATOM 880 OG SER A 109 10.167 41.933 49.144 1.00 0.00 ATOM 881 O SER A 109 9.660 44.698 46.860 1.00 0.00 ATOM 882 C SER A 109 10.238 43.613 46.841 1.00 0.00 ATOM 883 N SER A 110 11.608 43.482 46.844 1.00 0.00 ATOM 884 CA SER A 110 12.468 44.659 46.815 1.00 0.00 ATOM 885 CB SER A 110 13.635 44.479 47.787 1.00 0.00 ATOM 886 OG SER A 110 14.507 43.450 47.353 1.00 0.00 ATOM 887 O SER A 110 12.977 44.030 44.553 1.00 0.00 ATOM 888 C SER A 110 13.044 44.899 45.419 1.00 0.00 ATOM 889 N ASP A 111 13.657 46.054 45.188 1.00 0.00 ATOM 890 CA ASP A 111 14.276 46.280 43.866 1.00 0.00 ATOM 891 CB ASP A 111 14.685 47.745 43.709 1.00 0.00 ATOM 892 CG ASP A 111 15.814 48.139 44.640 1.00 0.00 ATOM 893 OD1 ASP A 111 16.284 47.270 45.405 1.00 0.00 ATOM 894 OD2 ASP A 111 16.229 49.316 44.606 1.00 0.00 ATOM 895 O ASP A 111 16.215 45.663 42.639 1.00 0.00 ATOM 896 C ASP A 111 15.537 45.438 43.633 1.00 0.00 ATOM 897 N THR A 112 15.831 44.471 44.567 1.00 0.00 ATOM 898 CA THR A 112 17.034 43.639 44.368 1.00 0.00 ATOM 899 CB THR A 112 18.083 43.891 45.467 1.00 0.00 ATOM 900 CG2 THR A 112 18.546 45.340 45.439 1.00 0.00 ATOM 901 OG1 THR A 112 17.510 43.612 46.750 1.00 0.00 ATOM 902 O THR A 112 17.248 41.260 43.993 1.00 0.00 ATOM 903 C THR A 112 16.555 42.178 44.415 1.00 0.00 ATOM 904 N MET A 113 17.175 42.909 42.542 1.00 0.00 ATOM 905 CA MET A 113 16.768 42.181 41.316 1.00 0.00 ATOM 906 CB MET A 113 15.646 41.188 41.629 1.00 0.00 ATOM 907 CG MET A 113 15.232 40.327 40.448 1.00 0.00 ATOM 908 SD MET A 113 13.952 39.129 40.874 1.00 0.00 ATOM 909 CE MET A 113 14.911 37.912 41.772 1.00 0.00 ATOM 910 O MET A 113 15.370 43.937 40.455 1.00 0.00 ATOM 911 C MET A 113 16.343 43.198 40.266 1.00 0.00 ATOM 912 N GLN A 114 17.006 43.127 39.087 1.00 0.00 ATOM 913 CA GLN A 114 16.719 44.021 37.973 1.00 0.00 ATOM 914 CB GLN A 114 17.819 45.081 37.905 1.00 0.00 ATOM 915 CG GLN A 114 17.897 45.975 39.133 1.00 0.00 ATOM 916 CD GLN A 114 18.965 47.043 39.010 1.00 0.00 ATOM 917 OE1 GLN A 114 19.746 47.046 38.058 1.00 0.00 ATOM 918 NE2 GLN A 114 19.004 47.954 39.975 1.00 0.00 ATOM 919 O GLN A 114 17.397 42.276 36.421 1.00 0.00 ATOM 920 C GLN A 114 16.686 43.274 36.639 1.00 0.00 ATOM 921 N VAL A 115 15.867 43.798 35.739 1.00 0.00 ATOM 922 CA VAL A 115 15.735 43.256 34.404 1.00 0.00 ATOM 923 CB VAL A 115 14.403 43.712 33.758 1.00 0.00 ATOM 924 CG1 VAL A 115 14.347 43.296 32.301 1.00 0.00 ATOM 925 CG2 VAL A 115 13.221 43.116 34.531 1.00 0.00 ATOM 926 O VAL A 115 17.189 44.926 33.485 1.00 0.00 ATOM 927 C VAL A 115 16.853 43.734 33.506 1.00 0.00 ATOM 928 N PHE A 116 17.434 42.789 32.769 1.00 0.00 ATOM 929 CA PHE A 116 18.436 43.083 31.749 1.00 0.00 ATOM 930 CB PHE A 116 19.753 42.307 32.004 1.00 0.00 ATOM 931 CG PHE A 116 20.337 42.752 33.345 1.00 0.00 ATOM 932 CD1 PHE A 116 21.081 43.913 33.402 1.00 0.00 ATOM 933 CD2 PHE A 116 20.086 42.022 34.497 1.00 0.00 ATOM 934 CE1 PHE A 116 21.594 44.345 34.620 1.00 0.00 ATOM 935 CE2 PHE A 116 20.594 42.474 35.718 1.00 0.00 ATOM 936 CZ PHE A 116 21.357 43.607 35.771 1.00 0.00 ATOM 937 O PHE A 116 17.522 41.305 30.402 1.00 0.00 ATOM 938 C PHE A 116 18.035 42.440 30.428 1.00 0.00 ATOM 939 N GLN A 117 18.354 43.118 29.326 1.00 0.00 ATOM 940 CA GLN A 117 18.109 42.576 27.974 1.00 0.00 ATOM 941 CB GLN A 117 17.522 43.677 27.098 1.00 0.00 ATOM 942 CG GLN A 117 16.110 44.059 27.497 1.00 0.00 ATOM 943 CD GLN A 117 15.561 45.080 26.490 1.00 0.00 ATOM 944 OE1 GLN A 117 15.288 46.217 26.875 1.00 0.00 ATOM 945 NE2 GLN A 117 15.405 44.657 25.237 1.00 0.00 ATOM 946 O GLN A 117 20.443 42.963 27.595 1.00 0.00 ATOM 947 C GLN A 117 19.477 42.236 27.371 1.00 0.00 ATOM 948 N ILE A 118 19.554 41.107 26.664 1.00 0.00 ATOM 949 CA ILE A 118 20.750 40.743 25.905 1.00 0.00 ATOM 950 CB ILE A 118 20.947 39.216 25.858 1.00 0.00 ATOM 951 CG1 ILE A 118 21.101 38.656 27.275 1.00 0.00 ATOM 952 CG2 ILE A 118 22.195 38.864 25.064 1.00 0.00 ATOM 953 CD1 ILE A 118 21.086 37.144 27.338 1.00 0.00 ATOM 954 O ILE A 118 19.860 40.712 23.639 1.00 0.00 ATOM 955 C ILE A 118 20.621 41.261 24.457 1.00 0.00 ATOM 956 N TYR A 119 21.368 42.320 24.158 1.00 0.00 ATOM 957 CA TYR A 119 21.378 42.932 22.831 1.00 0.00 ATOM 958 CB TYR A 119 21.260 44.192 22.622 1.00 0.00 ATOM 959 CG TYR A 119 21.751 44.646 21.288 1.00 0.00 ATOM 960 CD1 TYR A 119 21.185 44.219 20.065 1.00 0.00 ATOM 961 CD2 TYR A 119 22.816 45.584 21.223 1.00 0.00 ATOM 962 CE1 TYR A 119 21.664 44.712 18.830 1.00 0.00 ATOM 963 CE2 TYR A 119 23.313 46.070 20.013 1.00 0.00 ATOM 964 CZ TYR A 119 22.728 45.624 18.828 1.00 0.00 ATOM 965 OH TYR A 119 23.231 46.151 17.665 1.00 0.00 ATOM 966 O TYR A 119 23.483 42.059 22.170 1.00 0.00 ATOM 967 C TYR A 119 22.288 42.113 21.930 1.00 0.00 ATOM 968 N ALA A 120 21.714 41.412 20.937 1.00 0.00 ATOM 969 CA ALA A 120 22.497 40.546 20.047 1.00 0.00 ATOM 970 CB ALA A 120 21.595 39.785 19.042 1.00 0.00 ATOM 971 O ALA A 120 23.380 42.349 18.696 1.00 0.00 ATOM 972 C ALA A 120 23.588 41.258 19.237 1.00 0.00 ATOM 973 N GLY A 121 24.763 40.633 19.226 1.00 0.00 ATOM 974 CA GLY A 121 25.908 41.052 18.409 1.00 0.00 ATOM 975 O GLY A 121 26.267 40.370 16.097 1.00 0.00 ATOM 976 C GLY A 121 26.071 40.023 17.267 1.00 0.00 ATOM 977 N HIS A 122 26.027 38.743 17.614 1.00 0.00 ATOM 978 CA HIS A 122 26.271 37.681 16.626 1.00 0.00 ATOM 979 CB HIS A 122 27.779 37.498 16.446 1.00 0.00 ATOM 980 CG HIS A 122 28.465 38.690 15.854 1.00 0.00 ATOM 981 CD2 HIS A 122 29.362 39.724 16.350 1.00 0.00 ATOM 982 ND1 HIS A 122 28.327 39.049 14.530 1.00 0.00 ATOM 983 CE1 HIS A 122 29.057 40.153 14.298 1.00 0.00 ATOM 984 NE2 HIS A 122 29.681 40.564 15.384 1.00 0.00 ATOM 985 O HIS A 122 25.530 36.214 18.334 1.00 0.00 ATOM 986 C HIS A 122 25.652 36.384 17.130 1.00 0.00 ATOM 987 N GLY A 123 25.268 35.473 16.225 1.00 0.00 ATOM 988 CA GLY A 123 24.797 34.144 16.622 1.00 0.00 ATOM 989 O GLY A 123 25.923 33.103 14.803 1.00 0.00 ATOM 990 C GLY A 123 25.609 33.026 15.973 1.00 0.00 ATOM 991 N PHE A 124 25.939 31.979 16.734 1.00 0.00 ATOM 992 CA PHE A 124 26.555 30.776 16.115 1.00 0.00 ATOM 993 CB PHE A 124 27.886 30.452 16.796 1.00 0.00 ATOM 994 CG PHE A 124 28.923 31.527 16.641 1.00 0.00 ATOM 995 CD1 PHE A 124 29.028 32.546 17.571 1.00 0.00 ATOM 996 CD2 PHE A 124 29.793 31.521 15.565 1.00 0.00 ATOM 997 CE1 PHE A 124 29.982 33.536 17.430 1.00 0.00 ATOM 998 CE2 PHE A 124 30.748 32.511 15.424 1.00 0.00 ATOM 999 CZ PHE A 124 30.845 33.515 16.351 1.00 0.00 ATOM 1000 O PHE A 124 25.267 29.327 17.507 1.00 0.00 ATOM 1001 C PHE A 124 25.561 29.645 16.354 1.00 0.00 ATOM 1002 N TYR A 125 25.034 29.102 15.270 1.00 0.00 ATOM 1003 CA TYR A 125 23.991 28.078 15.325 1.00 0.00 ATOM 1004 CB TYR A 125 22.659 28.309 15.467 1.00 0.00 ATOM 1005 CG TYR A 125 21.754 27.227 14.916 1.00 0.00 ATOM 1006 CD1 TYR A 125 21.565 26.024 15.596 1.00 0.00 ATOM 1007 CD2 TYR A 125 21.084 27.411 13.707 1.00 0.00 ATOM 1008 CE1 TYR A 125 20.726 25.028 15.083 1.00 0.00 ATOM 1009 CE2 TYR A 125 20.249 26.422 13.184 1.00 0.00 ATOM 1010 CZ TYR A 125 20.073 25.239 13.879 1.00 0.00 ATOM 1011 OH TYR A 125 19.236 24.274 13.369 1.00 0.00 ATOM 1012 O TYR A 125 24.785 26.626 13.606 1.00 0.00 ATOM 1013 C TYR A 125 24.468 26.737 14.788 1.00 0.00 ATOM 1014 N HIS A 126 24.561 25.576 15.562 1.00 0.00 ATOM 1015 CA HIS A 126 24.992 24.293 15.031 1.00 0.00 ATOM 1016 CB HIS A 126 26.043 23.661 15.946 1.00 0.00 ATOM 1017 CG HIS A 126 27.299 24.466 16.070 1.00 0.00 ATOM 1018 CD2 HIS A 126 27.825 25.430 17.026 1.00 0.00 ATOM 1019 ND1 HIS A 126 28.316 24.406 15.142 1.00 0.00 ATOM 1020 CE1 HIS A 126 29.305 25.235 15.522 1.00 0.00 ATOM 1021 NE2 HIS A 126 29.016 25.852 16.652 1.00 0.00 ATOM 1022 O HIS A 126 23.035 23.183 15.941 1.00 0.00 ATOM 1023 C HIS A 126 23.759 23.384 14.948 1.00 0.00 ATOM 1024 N SER A 127 23.471 22.908 13.736 1.00 0.00 ATOM 1025 CA SER A 127 22.283 22.080 13.507 1.00 0.00 ATOM 1026 CB SER A 127 21.951 22.021 12.015 1.00 0.00 ATOM 1027 OG SER A 127 22.948 21.317 11.297 1.00 0.00 ATOM 1028 O SER A 127 23.690 20.282 14.312 1.00 0.00 ATOM 1029 C SER A 127 22.555 20.651 14.014 1.00 0.00 ATOM 1030 N LEU A 128 21.512 19.829 13.992 1.00 0.00 ATOM 1031 CA LEU A 128 21.550 18.419 14.376 1.00 0.00 ATOM 1032 CB LEU A 128 20.165 17.786 14.227 1.00 0.00 ATOM 1033 CG LEU A 128 20.027 16.339 14.704 1.00 0.00 ATOM 1034 CD1 LEU A 128 20.349 16.227 16.187 1.00 0.00 ATOM 1035 CD2 LEU A 128 18.608 15.835 14.487 1.00 0.00 ATOM 1036 O LEU A 128 23.088 16.600 14.072 1.00 0.00 ATOM 1037 C LEU A 128 22.499 17.561 13.554 1.00 0.00 ATOM 1038 N THR A 129 22.657 17.917 12.279 1.00 0.00 ATOM 1039 CA THR A 129 23.566 17.227 11.353 1.00 0.00 ATOM 1040 CB THR A 129 23.082 17.344 9.895 1.00 0.00 ATOM 1041 CG2 THR A 129 21.692 16.743 9.746 1.00 0.00 ATOM 1042 OG1 THR A 129 23.034 18.724 9.514 1.00 0.00 ATOM 1043 O THR A 129 25.896 17.275 10.781 1.00 0.00 ATOM 1044 C THR A 129 24.962 17.800 11.406 1.00 0.00 ATOM 1045 N GLN A 130 25.221 18.935 12.225 1.00 0.00 ATOM 1046 CA GLN A 130 26.538 19.469 12.463 1.00 0.00 ATOM 1047 CB GLN A 130 27.594 18.370 12.335 1.00 0.00 ATOM 1048 CG GLN A 130 27.490 17.284 13.394 1.00 0.00 ATOM 1049 CD GLN A 130 28.520 16.187 13.205 1.00 0.00 ATOM 1050 OE1 GLN A 130 29.302 16.213 12.255 1.00 0.00 ATOM 1051 NE2 GLN A 130 28.522 15.217 14.111 1.00 0.00 ATOM 1052 O GLN A 130 28.205 20.836 11.351 1.00 0.00 ATOM 1053 C GLN A 130 27.002 20.587 11.522 1.00 0.00 ATOM 1054 N GLY A 131 25.937 21.213 10.811 1.00 0.00 ATOM 1055 CA GLY A 131 26.296 22.322 9.943 1.00 0.00 ATOM 1056 O GLY A 131 25.520 23.811 11.676 1.00 0.00 ATOM 1057 C GLY A 131 26.381 23.587 10.831 1.00 0.00 ATOM 1058 N HIS A 132 27.421 24.388 10.622 1.00 0.00 ATOM 1059 CA HIS A 132 27.649 25.616 11.391 1.00 0.00 ATOM 1060 CB HIS A 132 29.122 25.744 11.785 1.00 0.00 ATOM 1061 CG HIS A 132 29.418 26.938 12.636 1.00 0.00 ATOM 1062 CD2 HIS A 132 28.623 27.946 13.325 1.00 0.00 ATOM 1063 ND1 HIS A 132 30.702 27.332 12.947 1.00 0.00 ATOM 1064 CE1 HIS A 132 30.649 28.430 13.720 1.00 0.00 ATOM 1065 NE2 HIS A 132 29.404 28.805 13.952 1.00 0.00 ATOM 1066 O HIS A 132 27.956 27.291 9.705 1.00 0.00 ATOM 1067 C HIS A 132 27.313 26.929 10.698 1.00 0.00 ATOM 1068 N LYS A 133 26.211 27.689 11.212 1.00 0.00 ATOM 1069 CA LYS A 133 25.776 28.940 10.598 1.00 0.00 ATOM 1070 CB LYS A 133 24.276 28.897 10.299 1.00 0.00 ATOM 1071 CG LYS A 133 23.878 27.847 9.275 1.00 0.00 ATOM 1072 CD LYS A 133 22.376 27.852 9.034 1.00 0.00 ATOM 1073 CE LYS A 133 21.980 26.814 7.996 1.00 0.00 ATOM 1074 NZ LYS A 133 20.524 26.866 7.688 1.00 0.00 ATOM 1075 O LYS A 133 25.499 30.165 12.650 1.00 0.00 ATOM 1076 C LYS A 133 26.042 30.105 11.540 1.00 0.00 ATOM 1077 N TYR A 134 26.883 31.023 11.099 1.00 0.00 ATOM 1078 CA TYR A 134 27.057 32.296 11.790 1.00 0.00 ATOM 1079 CB TYR A 134 28.378 32.928 11.435 1.00 0.00 ATOM 1080 CG TYR A 134 28.791 34.229 12.029 1.00 0.00 ATOM 1081 CD1 TYR A 134 28.596 34.504 13.372 1.00 0.00 ATOM 1082 CD2 TYR A 134 29.473 35.191 11.271 1.00 0.00 ATOM 1083 CE1 TYR A 134 29.017 35.752 13.909 1.00 0.00 ATOM 1084 CE2 TYR A 134 29.915 36.382 11.802 1.00 0.00 ATOM 1085 CZ TYR A 134 29.698 36.657 13.107 1.00 0.00 ATOM 1086 OH TYR A 134 30.147 37.836 13.611 1.00 0.00 ATOM 1087 O TYR A 134 25.772 33.401 10.090 1.00 0.00 ATOM 1088 C TYR A 134 25.992 33.268 11.300 1.00 0.00 ATOM 1089 N ILE A 135 25.297 33.946 12.210 1.00 0.00 ATOM 1090 CA ILE A 135 24.185 34.812 11.835 1.00 0.00 ATOM 1091 CB ILE A 135 22.901 34.447 12.602 1.00 0.00 ATOM 1092 CG1 ILE A 135 22.497 33.000 12.308 1.00 0.00 ATOM 1093 CG2 ILE A 135 21.756 35.360 12.190 1.00 0.00 ATOM 1094 CD1 ILE A 135 21.367 32.495 13.177 1.00 0.00 ATOM 1095 O ILE A 135 24.718 36.634 13.307 1.00 0.00 ATOM 1096 C ILE A 135 24.532 36.262 12.148 1.00 0.00 ATOM 1097 N PHE A 136 24.636 37.055 11.075 1.00 0.00 ATOM 1098 CA PHE A 136 24.964 38.458 11.230 1.00 0.00 ATOM 1099 CB PHE A 136 25.175 39.122 9.848 1.00 0.00 ATOM 1100 CG PHE A 136 25.416 40.605 9.920 1.00 0.00 ATOM 1101 CD1 PHE A 136 26.668 41.105 10.268 1.00 0.00 ATOM 1102 CD2 PHE A 136 24.375 41.505 9.687 1.00 0.00 ATOM 1103 CE1 PHE A 136 26.886 42.480 10.388 1.00 0.00 ATOM 1104 CE2 PHE A 136 24.579 42.882 9.802 1.00 0.00 ATOM 1105 CZ PHE A 136 25.836 43.371 10.154 1.00 0.00 ATOM 1106 O PHE A 136 23.966 39.979 12.815 1.00 0.00 ATOM 1107 C PHE A 136 23.774 39.175 11.861 1.00 0.00 ATOM 1108 N SER A 137 22.400 38.918 11.441 1.00 0.00 ATOM 1109 CA SER A 137 21.210 39.581 11.927 1.00 0.00 ATOM 1110 CB SER A 137 19.950 39.163 11.166 1.00 0.00 ATOM 1111 OG SER A 137 19.643 37.799 11.395 1.00 0.00 ATOM 1112 O SER A 137 20.225 40.161 14.021 1.00 0.00 ATOM 1113 C SER A 137 20.896 39.341 13.397 1.00 0.00 ATOM 1114 N ILE A 138 21.403 38.256 13.975 1.00 0.00 ATOM 1115 CA ILE A 138 21.100 38.008 15.381 1.00 0.00 ATOM 1116 CB ILE A 138 21.620 36.632 15.835 1.00 0.00 ATOM 1117 CG1 ILE A 138 20.904 36.187 17.112 1.00 0.00 ATOM 1118 CG2 ILE A 138 23.114 36.693 16.116 1.00 0.00 ATOM 1119 CD1 ILE A 138 21.149 34.739 17.477 1.00 0.00 ATOM 1120 O ILE A 138 21.390 39.168 17.466 1.00 0.00 ATOM 1121 C ILE A 138 21.720 39.073 16.286 1.00 0.00 ATOM 1122 N GLY A 139 22.564 39.906 15.753 1.00 0.00 ATOM 1123 CA GLY A 139 23.173 40.966 16.537 1.00 0.00 ATOM 1124 O GLY A 139 23.109 43.358 16.740 1.00 0.00 ATOM 1125 C GLY A 139 22.684 42.350 16.162 1.00 0.00 ATOM 1126 N GLN A 140 21.772 42.399 15.195 1.00 0.00 ATOM 1127 CA GLN A 140 21.222 43.657 14.709 1.00 0.00 ATOM 1128 CB GLN A 140 20.277 43.408 13.531 1.00 0.00 ATOM 1129 CG GLN A 140 20.977 42.964 12.257 1.00 0.00 ATOM 1130 CD GLN A 140 20.015 42.770 11.101 1.00 0.00 ATOM 1131 OE1 GLN A 140 18.826 43.068 11.213 1.00 0.00 ATOM 1132 NE2 GLN A 140 20.528 42.268 9.983 1.00 0.00 ATOM 1133 O GLN A 140 19.689 43.777 16.536 1.00 0.00 ATOM 1134 C GLN A 140 20.428 44.396 15.774 1.00 0.00 ATOM 1135 N GLY A 141 20.358 45.888 16.371 1.00 0.00 ATOM 1136 CA GLY A 141 19.696 46.630 17.430 1.00 0.00 ATOM 1137 O GLY A 141 17.776 46.396 18.816 1.00 0.00 ATOM 1138 C GLY A 141 18.235 46.324 17.679 1.00 0.00 ATOM 1139 N GLU A 142 17.513 45.919 16.588 1.00 0.00 ATOM 1140 CA GLU A 142 16.082 45.628 16.710 1.00 0.00 ATOM 1141 CB GLU A 142 15.530 45.171 15.357 1.00 0.00 ATOM 1142 CG GLU A 142 15.449 46.273 14.314 1.00 0.00 ATOM 1143 CD GLU A 142 14.983 45.763 12.965 1.00 0.00 ATOM 1144 OE1 GLU A 142 14.807 44.536 12.820 1.00 0.00 ATOM 1145 OE2 GLU A 142 14.794 46.592 12.050 1.00 0.00 ATOM 1146 O GLU A 142 14.724 44.446 18.266 1.00 0.00 ATOM 1147 C GLU A 142 15.820 44.527 17.729 1.00 0.00 ATOM 1148 N HIS A 143 16.824 43.698 18.026 1.00 0.00 ATOM 1149 CA HIS A 143 16.653 42.604 18.976 1.00 0.00 ATOM 1150 CB HIS A 143 17.454 41.391 18.514 1.00 0.00 ATOM 1151 CG HIS A 143 16.862 40.756 17.300 1.00 0.00 ATOM 1152 CD2 HIS A 143 17.201 40.841 15.993 1.00 0.00 ATOM 1153 ND1 HIS A 143 15.718 39.986 17.353 1.00 0.00 ATOM 1154 CE1 HIS A 143 15.404 39.594 16.131 1.00 0.00 ATOM 1155 NE2 HIS A 143 16.286 40.100 15.289 1.00 0.00 ATOM 1156 O HIS A 143 16.670 42.219 21.339 1.00 0.00 ATOM 1157 C HIS A 143 17.032 42.948 20.412 1.00 0.00 ATOM 1158 N SER A 144 17.677 44.090 20.618 1.00 0.00 ATOM 1159 CA SER A 144 18.037 44.522 21.967 1.00 0.00 ATOM 1160 CB SER A 144 19.392 45.232 21.999 1.00 0.00 ATOM 1161 OG SER A 144 19.333 46.470 21.309 1.00 0.00 ATOM 1162 O SER A 144 16.823 45.650 23.711 1.00 0.00 ATOM 1163 C SER A 144 16.965 45.465 22.505 1.00 0.00 ATOM 1164 N GLU A 145 19.283 45.349 24.389 1.00 0.00 ATOM 1165 CA GLU A 145 19.384 46.588 25.126 1.00 0.00 ATOM 1166 CB GLU A 145 20.111 47.648 24.295 1.00 0.00 ATOM 1167 CG GLU A 145 21.558 47.306 23.982 1.00 0.00 ATOM 1168 CD GLU A 145 22.241 48.371 23.145 1.00 0.00 ATOM 1169 OE1 GLU A 145 21.575 49.367 22.794 1.00 0.00 ATOM 1170 OE2 GLU A 145 23.442 48.208 22.843 1.00 0.00 ATOM 1171 O GLU A 145 17.028 46.932 24.842 1.00 0.00 ATOM 1172 C GLU A 145 18.045 47.193 25.492 1.00 0.00 ATOM 1173 N VAL A 146 18.082 48.017 26.545 1.00 0.00 ATOM 1174 CA VAL A 146 16.865 48.709 26.995 1.00 0.00 ATOM 1175 CB VAL A 146 17.126 49.544 28.261 1.00 0.00 ATOM 1176 CG1 VAL A 146 15.904 50.380 28.610 1.00 0.00 ATOM 1177 CG2 VAL A 146 17.440 48.637 29.443 1.00 0.00 ATOM 1178 O VAL A 146 15.208 49.637 25.510 1.00 0.00 ATOM 1179 C VAL A 146 16.367 49.631 25.901 1.00 0.00 ATOM 1180 N ARG A 147 17.285 50.461 25.379 1.00 0.00 ATOM 1181 CA ARG A 147 16.929 51.401 24.329 1.00 0.00 ATOM 1182 CB ARG A 147 18.129 52.243 23.880 1.00 0.00 ATOM 1183 CG ARG A 147 17.751 53.422 22.958 1.00 0.00 ATOM 1184 CD ARG A 147 18.954 54.332 22.669 1.00 0.00 ATOM 1185 NE ARG A 147 19.552 54.878 23.893 1.00 0.00 ATOM 1186 CZ ARG A 147 19.068 55.910 24.586 1.00 0.00 ATOM 1187 NH1 ARG A 147 17.966 56.541 24.185 1.00 0.00 ATOM 1188 NH2 ARG A 147 19.687 56.308 25.696 1.00 0.00 ATOM 1189 O ARG A 147 15.322 51.007 22.554 1.00 0.00 ATOM 1190 C ARG A 147 16.367 50.676 23.117 1.00 0.00 ATOM 1191 N ALA A 148 17.139 49.618 22.635 1.00 0.00 ATOM 1192 CA ALA A 148 16.700 48.911 21.427 1.00 0.00 ATOM 1193 CB ALA A 148 17.654 47.752 21.113 1.00 0.00 ATOM 1194 O ALA A 148 14.474 48.408 20.703 1.00 0.00 ATOM 1195 C ALA A 148 15.298 48.330 21.605 1.00 0.00 ATOM 1196 N LEU A 149 15.061 47.711 22.752 1.00 0.00 ATOM 1197 CA LEU A 149 13.754 47.108 23.044 1.00 0.00 ATOM 1198 CB LEU A 149 13.537 46.910 24.481 1.00 0.00 ATOM 1199 CG LEU A 149 12.176 46.342 24.907 1.00 0.00 ATOM 1200 CD1 LEU A 149 11.805 45.064 24.169 1.00 0.00 ATOM 1201 CD2 LEU A 149 12.145 46.126 26.429 1.00 0.00 ATOM 1202 O LEU A 149 11.609 47.912 22.361 1.00 0.00 ATOM 1203 C LEU A 149 12.665 48.163 22.933 1.00 0.00 ENDMDL EXPDTA 2hhzA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hhzA ATOM 1 N MET 1 12.883 31.492 6.880 1.00 0.00 ATOM 2 CA MET 1 12.879 31.603 8.373 1.00 0.00 ATOM 3 CB MET 1 13.676 30.456 9.020 1.00 0.00 ATOM 4 CG MET 1 13.731 30.524 10.567 1.00 0.00 ATOM 5 SD MET 1 13.473 28.826 11.573 1.00 0.00 ATOM 6 CE MET 1 11.840 28.106 10.660 1.00 0.00 ATOM 7 O MET 1 14.291 33.551 8.162 1.00 0.00 ATOM 8 C MET 1 13.416 32.976 8.814 1.00 0.00 ATOM 9 N GLU 2 12.868 33.503 9.906 1.00 0.00 ATOM 10 CA GLU 2 13.186 34.850 10.343 1.00 0.00 ATOM 11 CB GLU 2 12.065 35.828 9.960 1.00 0.00 ATOM 12 CG GLU 2 10.691 35.476 10.507 1.00 0.00 ATOM 13 CD GLU 2 9.572 36.320 9.890 1.00 0.00 ATOM 14 OE1 GLU 2 9.814 37.524 9.606 1.00 0.00 ATOM 15 OE2 GLU 2 8.455 35.768 9.691 1.00 0.00 ATOM 16 O GLU 2 13.302 33.903 12.550 1.00 0.00 ATOM 17 C GLU 2 13.478 34.895 11.838 1.00 0.00 ATOM 18 N LEU 3 13.942 36.052 12.293 1.00 0.00 ATOM 19 CA LEU 3 14.414 36.197 13.655 1.00 0.00 ATOM 20 CB LEU 3 15.088 37.550 13.867 1.00 0.00 ATOM 21 CG LEU 3 15.763 37.767 15.226 1.00 0.00 ATOM 22 CD1 LEU 3 17.045 36.982 15.317 1.00 0.00 ATOM 23 CD2 LEU 3 16.028 39.260 15.462 1.00 0.00 ATOM 24 O LEU 3 13.595 35.381 15.708 1.00 0.00 ATOM 25 C LEU 3 13.321 35.984 14.677 1.00 0.00 ATOM 26 N LYS 4 12.108 36.467 14.391 1.00 0.00 ATOM 27 CA LYS 4 10.936 36.302 15.286 1.00 0.00 ATOM 28 CB LYS 4 9.593 36.698 14.612 1.00 0.00 ATOM 29 CG LYS 4 9.437 38.156 14.115 1.00 0.00 ATOM 30 O LYS 4 10.549 34.525 16.831 1.00 0.00 ATOM 31 C LYS 4 10.812 34.850 15.682 1.00 0.00 ATOM 32 N ASP 5 11.003 33.981 14.703 1.00 0.00 ATOM 33 CA ASP 5 10.827 32.553 14.900 1.00 0.00 ATOM 34 CB ASP 5 10.626 31.874 13.556 1.00 0.00 ATOM 35 CG ASP 5 9.469 32.476 12.785 1.00 0.00 ATOM 36 OD1 ASP 5 9.631 33.604 12.266 1.00 0.00 ATOM 37 OD2 ASP 5 8.402 31.839 12.725 1.00 0.00 ATOM 38 O ASP 5 11.774 31.127 16.577 1.00 0.00 ATOM 39 C ASP 5 11.986 31.924 15.658 1.00 0.00 ATOM 40 N ILE 6 13.208 32.297 15.303 1.00 0.00 ATOM 41 CA ILE 6 14.358 31.808 16.047 1.00 0.00 ATOM 42 CB ILE 6 15.694 32.308 15.451 1.00 0.00 ATOM 43 CG1 ILE 6 15.928 31.702 14.062 1.00 0.00 ATOM 44 CG2 ILE 6 16.922 31.941 16.367 1.00 0.00 ATOM 45 CD1 ILE 6 17.290 32.085 13.473 1.00 0.00 ATOM 46 O ILE 6 14.393 31.398 18.393 1.00 0.00 ATOM 47 C ILE 6 14.198 32.202 17.510 1.00 0.00 ATOM 48 N MET 7 13.790 33.431 17.769 1.00 0.00 ATOM 49 CA MET 7 13.757 33.917 19.131 1.00 0.00 ATOM 50 CB MET 7 13.637 35.425 19.148 1.00 0.00 ATOM 51 CG MET 7 14.853 36.106 18.561 1.00 0.00 ATOM 52 SD MET 7 16.410 36.065 19.671 1.00 0.00 ATOM 53 CE MET 7 17.324 34.556 18.802 1.00 0.00 ATOM 54 O MET 7 12.660 33.076 21.077 1.00 0.00 ATOM 55 C MET 7 12.604 33.275 19.864 1.00 0.00 ATOM 56 N HIS 8 11.562 32.904 19.149 1.00 0.00 ATOM 57 CA HIS 8 10.476 32.213 19.811 1.00 0.00 ATOM 58 CB HIS 8 9.267 32.090 18.893 1.00 0.00 ATOM 59 CG HIS 8 8.089 31.491 19.570 1.00 0.00 ATOM 60 CD2 HIS 8 7.220 30.531 19.172 1.00 0.00 ATOM 61 ND1 HIS 8 7.725 31.839 20.855 1.00 0.00 ATOM 62 CE1 HIS 8 6.661 31.139 21.207 1.00 0.00 ATOM 63 NE2 HIS 8 6.336 30.338 20.204 1.00 0.00 ATOM 64 O HIS 8 10.618 30.400 21.403 1.00 0.00 ATOM 65 C HIS 8 10.944 30.830 20.296 1.00 0.00 ATOM 66 N ILE 9 11.726 30.165 19.454 1.00 0.00 ATOM 67 CA ILE 9 12.324 28.875 19.775 1.00 0.00 ATOM 68 CB ILE 9 13.149 28.332 18.575 1.00 0.00 ATOM 69 CG1 ILE 9 12.205 27.882 17.428 1.00 0.00 ATOM 70 CG2 ILE 9 14.015 27.171 19.003 1.00 0.00 ATOM 71 CD1 ILE 9 12.928 27.451 16.128 1.00 0.00 ATOM 72 O ILE 9 13.107 28.183 21.907 1.00 0.00 ATOM 73 C ILE 9 13.201 28.987 20.994 1.00 0.00 ATOM 74 N LEU 10 14.040 30.015 21.016 1.00 0.00 ATOM 75 CA LEU 10 14.932 30.254 22.131 1.00 0.00 ATOM 76 CB LEU 10 15.806 31.467 21.826 1.00 0.00 ATOM 77 CG LEU 10 16.696 31.956 22.947 1.00 0.00 ATOM 78 CD1 LEU 10 17.579 30.808 23.462 1.00 0.00 ATOM 79 CD2 LEU 10 17.484 33.128 22.473 1.00 0.00 ATOM 80 O LEU 10 14.487 29.884 24.428 1.00 0.00 ATOM 81 C LEU 10 14.181 30.487 23.409 1.00 0.00 ATOM 82 N GLU 11 13.180 31.347 23.349 1.00 0.00 ATOM 83 CA GLU 11 12.345 31.620 24.496 1.00 0.00 ATOM 84 CB GLU 11 11.216 32.583 24.111 1.00 0.00 ATOM 85 CG GLU 11 10.427 33.103 25.303 1.00 0.00 ATOM 86 CD GLU 11 9.362 34.137 24.919 1.00 0.00 ATOM 87 OE1 GLU 11 9.701 35.336 24.651 1.00 0.00 ATOM 88 OE2 GLU 11 8.173 33.736 24.904 1.00 0.00 ATOM 89 O GLU 11 11.681 30.170 26.297 1.00 0.00 ATOM 90 C GLU 11 11.759 30.338 25.066 1.00 0.00 ATOM 91 N ASP 12 11.317 29.442 24.184 1.00 0.00 ATOM 92 CA ASP 12 10.745 28.147 24.634 1.00 0.00 ATOM 93 CB ASP 12 9.999 27.432 23.500 1.00 0.00 ATOM 94 CG ASP 12 8.740 28.146 23.090 1.00 0.00 ATOM 95 OD1 ASP 12 8.173 28.867 23.935 1.00 0.00 ATOM 96 OD2 ASP 12 8.323 27.996 21.916 1.00 0.00 ATOM 97 O ASP 12 11.380 26.225 25.965 1.00 0.00 ATOM 98 C ASP 12 11.768 27.174 25.252 1.00 0.00 ATOM 99 N MET 13 13.058 27.404 24.987 1.00 0.00 ATOM 100 CA MET 13 14.146 26.664 25.665 1.00 0.00 ATOM 101 CB MET 13 15.490 26.993 25.011 1.00 0.00 ATOM 102 CG MET 13 15.609 26.358 23.655 1.00 0.00 ATOM 103 SD MET 13 17.199 26.766 22.720 1.00 0.00 ATOM 104 CE MET 13 16.552 26.124 21.030 1.00 0.00 ATOM 105 O MET 13 14.824 26.144 27.894 1.00 0.00 ATOM 106 C MET 13 14.209 26.920 27.173 1.00 0.00 ATOM 107 N LYS 14 13.634 28.042 27.605 1.00 0.00 ATOM 108 CA LYS 14 13.435 28.417 29.011 1.00 0.00 ATOM 109 CB LYS 14 12.656 27.317 29.727 1.00 0.00 ATOM 110 CG LYS 14 11.175 27.194 29.256 1.00 0.00 ATOM 111 O LYS 14 14.645 29.650 30.726 1.00 0.00 ATOM 112 C LYS 14 14.705 28.820 29.812 1.00 0.00 ATOM 113 N VAL 15 15.837 28.220 29.472 1.00 0.00 ATOM 114 CA VAL 15 17.052 28.314 30.259 1.00 0.00 ATOM 115 CB VAL 15 17.188 27.098 31.204 1.00 0.00 ATOM 116 CG1 VAL 15 18.578 26.989 31.723 1.00 0.00 ATOM 117 CG2 VAL 15 16.223 27.230 32.360 1.00 0.00 ATOM 118 O VAL 15 18.214 27.608 28.324 1.00 0.00 ATOM 119 C VAL 15 18.221 28.327 29.302 1.00 0.00 ATOM 120 N GLY 16 19.216 29.157 29.587 1.00 0.00 ATOM 121 CA GLY 16 20.473 29.151 28.850 1.00 0.00 ATOM 122 O GLY 16 21.465 29.477 30.989 1.00 0.00 ATOM 123 C GLY 16 21.632 29.211 29.807 1.00 0.00 ATOM 124 N VAL 17 22.815 28.937 29.304 1.00 0.00 ATOM 125 CA VAL 17 24.026 29.129 30.082 1.00 0.00 ATOM 126 CB VAL 17 25.051 27.957 29.892 1.00 0.00 ATOM 127 CG1 VAL 17 26.438 28.293 30.528 1.00 0.00 ATOM 128 CG2 VAL 17 24.527 26.702 30.461 1.00 0.00 ATOM 129 O VAL 17 24.728 30.687 28.400 1.00 0.00 ATOM 130 C VAL 17 24.566 30.471 29.603 1.00 0.00 ATOM 131 N PHE 18 24.777 31.379 30.542 1.00 0.00 ATOM 132 CA PHE 18 25.343 32.702 30.251 1.00 0.00 ATOM 133 CB PHE 18 24.455 33.809 30.887 1.00 0.00 ATOM 134 CG PHE 18 23.078 33.904 30.262 1.00 0.00 ATOM 135 CD1 PHE 18 22.123 32.969 30.537 1.00 0.00 ATOM 136 CD2 PHE 18 22.762 34.912 29.382 1.00 0.00 ATOM 137 CE1 PHE 18 20.847 33.036 29.971 1.00 0.00 ATOM 138 CE2 PHE 18 21.503 34.975 28.804 1.00 0.00 ATOM 139 CZ PHE 18 20.563 34.022 29.088 1.00 0.00 ATOM 140 O PHE 18 27.001 32.573 31.959 1.00 0.00 ATOM 141 C PHE 18 26.774 32.827 30.783 1.00 0.00 ATOM 142 N ALA 19 27.700 33.196 29.890 1.00 0.00 ATOM 143 CA ALA 19 29.129 33.389 30.206 1.00 0.00 ATOM 144 CB ALA 19 30.049 32.697 29.165 1.00 0.00 ATOM 145 O ALA 19 29.172 35.562 29.229 1.00 0.00 ATOM 146 C ALA 19 29.449 34.862 30.214 1.00 0.00 ATOM 147 N THR 20 30.023 35.303 31.327 1.00 0.00 ATOM 148 CA THR 20 30.385 36.669 31.571 1.00 0.00 ATOM 149 CB THR 20 29.407 37.296 32.601 1.00 0.00 ATOM 150 CG2 THR 20 28.028 37.485 31.963 1.00 0.00 ATOM 151 OG1 THR 20 29.372 36.503 33.823 1.00 0.00 ATOM 152 O THR 20 32.493 35.793 32.407 1.00 0.00 ATOM 153 C THR 20 31.848 36.789 32.096 1.00 0.00 ATOM 154 N LEU 21 32.329 38.028 32.247 1.00 0.00 ATOM 155 CA LEU 21 33.706 38.304 32.661 1.00 0.00 ATOM 156 CB LEU 21 34.415 39.128 31.566 1.00 0.00 ATOM 157 CG LEU 21 34.333 38.565 30.124 1.00 0.00 ATOM 158 CD1 LEU 21 34.920 39.542 29.101 1.00 0.00 ATOM 159 CD2 LEU 21 35.030 37.195 30.016 1.00 0.00 ATOM 160 O LEU 21 32.974 39.929 34.243 1.00 0.00 ATOM 161 C LEU 21 33.768 39.047 33.974 1.00 0.00 ATOM 162 N ASP 22 34.721 38.688 34.809 1.00 0.00 ATOM 163 CA ASP 22 34.985 39.474 35.972 1.00 0.00 ATOM 164 CB ASP 22 35.378 38.599 37.136 1.00 0.00 ATOM 165 CG ASP 22 36.699 37.927 36.952 1.00 0.00 ATOM 166 OD1 ASP 22 37.537 38.390 36.159 1.00 0.00 ATOM 167 OD2 ASP 22 36.905 36.917 37.647 1.00 0.00 ATOM 168 O ASP 22 36.312 40.819 34.462 1.00 0.00 ATOM 169 C ASP 22 36.012 40.580 35.633 1.00 0.00 ATOM 170 N GLU 23 36.471 41.283 36.656 1.00 0.00 ATOM 171 CA GLU 23 37.287 42.493 36.492 1.00 0.00 ATOM 172 CB GLU 23 37.285 43.331 37.803 1.00 0.00 ATOM 173 CG GLU 23 37.963 42.738 39.024 1.00 0.00 ATOM 174 CD GLU 23 37.089 41.813 39.884 1.00 0.00 ATOM 175 OE1 GLU 23 36.132 41.169 39.387 1.00 0.00 ATOM 176 OE2 GLU 23 37.400 41.716 41.076 1.00 0.00 ATOM 177 O GLU 23 39.490 43.017 35.654 1.00 0.00 ATOM 178 C GLU 23 38.716 42.152 36.051 1.00 0.00 ATOM 179 N TYR 24 39.057 40.880 36.167 1.00 0.00 ATOM 180 CA TYR 24 40.317 40.376 35.714 1.00 0.00 ATOM 181 CB TYR 24 40.801 39.320 36.676 1.00 0.00 ATOM 182 CG TYR 24 40.916 39.792 38.084 1.00 0.00 ATOM 183 CD1 TYR 24 41.763 40.847 38.416 1.00 0.00 ATOM 184 CD2 TYR 24 40.201 39.179 39.101 1.00 0.00 ATOM 185 CE1 TYR 24 41.885 41.281 39.726 1.00 0.00 ATOM 186 CE2 TYR 24 40.322 39.605 40.421 1.00 0.00 ATOM 187 CZ TYR 24 41.166 40.648 40.720 1.00 0.00 ATOM 188 OH TYR 24 41.277 41.059 42.024 1.00 0.00 ATOM 189 O TYR 24 41.121 39.198 33.848 1.00 0.00 ATOM 190 C TYR 24 40.173 39.748 34.353 1.00 0.00 ATOM 191 N GLY 25 38.987 39.750 33.783 1.00 0.00 ATOM 192 CA GLY 25 38.768 39.130 32.465 1.00 0.00 ATOM 193 O GLY 25 38.446 37.007 31.464 1.00 0.00 ATOM 194 C GLY 25 38.562 37.642 32.506 1.00 0.00 ATOM 195 N ASN 26 38.520 37.081 33.711 1.00 0.00 ATOM 196 CA ASN 26 38.283 35.661 33.907 1.00 0.00 ATOM 197 CB ASN 26 38.443 35.262 35.381 1.00 0.00 ATOM 198 CG ASN 26 39.840 35.463 35.928 1.00 0.00 ATOM 199 ND2 ASN 26 39.932 35.602 37.257 1.00 0.00 ATOM 200 OD1 ASN 26 40.825 35.451 35.203 1.00 0.00 ATOM 201 O ASN 26 35.934 36.021 33.829 1.00 0.00 ATOM 202 C ASN 26 36.868 35.306 33.515 1.00 0.00 ATOM 203 N PRO 27 36.691 34.155 32.871 1.00 0.00 ATOM 204 CA PRO 27 35.338 33.742 32.485 1.00 0.00 ATOM 205 CB PRO 27 35.584 32.740 31.386 1.00 0.00 ATOM 206 CG PRO 27 36.912 32.123 31.760 1.00 0.00 ATOM 207 CD PRO 27 37.715 33.160 32.476 1.00 0.00 ATOM 208 O PRO 27 35.190 32.307 34.361 1.00 0.00 ATOM 209 C PRO 27 34.591 33.049 33.598 1.00 0.00 ATOM 210 N HIS 28 33.279 33.269 33.610 1.00 0.00 ATOM 211 CA HIS 28 32.324 32.647 34.518 1.00 0.00 ATOM 212 CB HIS 28 31.963 33.603 35.664 1.00 0.00 ATOM 213 CG HIS 28 33.149 34.071 36.458 1.00 0.00 ATOM 214 CD2 HIS 28 33.960 35.145 36.285 1.00 0.00 ATOM 215 ND1 HIS 28 33.637 33.390 37.553 1.00 0.00 ATOM 216 CE1 HIS 28 34.702 34.021 38.024 1.00 0.00 ATOM 217 NE2 HIS 28 34.903 35.103 37.280 1.00 0.00 ATOM 218 O HIS 28 30.807 32.914 32.710 1.00 0.00 ATOM 219 C HIS 28 31.088 32.273 33.709 1.00 0.00 ATOM 220 N ALA 29 30.439 31.170 34.068 1.00 0.00 ATOM 221 CA ALA 29 29.288 30.635 33.313 1.00 0.00 ATOM 222 CB ALA 29 29.740 29.683 32.185 1.00 0.00 ATOM 223 O ALA 29 28.692 29.215 35.223 1.00 0.00 ATOM 224 C ALA 29 28.299 29.953 34.285 1.00 0.00 ATOM 225 N ARG 30 27.023 30.284 34.096 1.00 0.00 ATOM 226 CA ARG 30 25.920 29.706 34.874 1.00 0.00 ATOM 227 CB ARG 30 25.695 30.426 36.230 1.00 0.00 ATOM 228 CG ARG 30 24.875 31.689 36.144 1.00 0.00 ATOM 229 CD ARG 30 25.589 32.751 35.343 1.00 0.00 ATOM 230 NE ARG 30 26.657 33.368 36.113 1.00 0.00 ATOM 231 CZ ARG 30 27.636 34.141 35.635 1.00 0.00 ATOM 232 NH1 ARG 30 27.844 34.328 34.360 1.00 0.00 ATOM 233 NH2 ARG 30 28.475 34.700 36.489 1.00 0.00 ATOM 234 O ARG 30 24.426 30.442 33.122 1.00 0.00 ATOM 235 C ARG 30 24.615 29.671 34.078 1.00 0.00 ATOM 236 N HIS 31 23.728 28.758 34.491 1.00 0.00 ATOM 237 CA HIS 31 22.358 28.722 33.964 1.00 0.00 ATOM 238 CB HIS 31 21.645 27.418 34.327 1.00 0.00 ATOM 239 CG HIS 31 22.240 26.200 33.684 1.00 0.00 ATOM 240 CD2 HIS 31 22.005 25.621 32.485 1.00 0.00 ATOM 241 ND1 HIS 31 23.214 25.434 34.293 1.00 0.00 ATOM 242 CE1 HIS 31 23.570 24.453 33.486 1.00 0.00 ATOM 243 NE2 HIS 31 22.847 24.540 32.385 1.00 0.00 ATOM 244 O HIS 31 21.565 30.200 35.708 1.00 0.00 ATOM 245 C HIS 31 21.547 29.890 34.498 1.00 0.00 ATOM 246 N ALA 32 20.762 30.484 33.626 1.00 0.00 ATOM 247 CA ALA 32 19.790 31.478 34.051 1.00 0.00 ATOM 248 CB ALA 32 20.366 32.883 33.884 1.00 0.00 ATOM 249 O ALA 32 18.644 30.956 32.012 1.00 0.00 ATOM 250 C ALA 32 18.553 31.318 33.190 1.00 0.00 ATOM 251 N HIS 33 17.411 31.639 33.777 1.00 0.00 ATOM 252 CA HIS 33 16.144 31.614 33.072 1.00 0.00 ATOM 253 CB HIS 33 15.014 31.828 34.071 1.00 0.00 ATOM 254 CG HIS 33 13.661 31.574 33.498 1.00 0.00 ATOM 255 CD2 HIS 33 12.733 32.424 32.987 1.00 0.00 ATOM 256 ND1 HIS 33 13.134 30.304 33.378 1.00 0.00 ATOM 257 CE1 HIS 33 11.937 30.385 32.819 1.00 0.00 ATOM 258 NE2 HIS 33 11.672 31.658 32.571 1.00 0.00 ATOM 259 O HIS 33 16.470 33.819 32.120 1.00 0.00 ATOM 260 C HIS 33 16.072 32.667 31.947 1.00 0.00 ATOM 261 N ILE 34 15.608 32.255 30.777 1.00 0.00 ATOM 262 CA ILE 34 15.312 33.206 29.709 1.00 0.00 ATOM 263 CB ILE 34 15.361 32.504 28.347 1.00 0.00 ATOM 264 CG1 ILE 34 16.769 32.016 28.036 1.00 0.00 ATOM 265 CG2 ILE 34 14.904 33.414 27.248 1.00 0.00 ATOM 266 CD1 ILE 34 16.783 30.994 26.933 1.00 0.00 ATOM 267 O ILE 34 12.932 33.059 29.725 1.00 0.00 ATOM 268 C ILE 34 13.906 33.747 29.957 1.00 0.00 ATOM 269 N THR 35 13.795 34.966 30.461 1.00 0.00 ATOM 270 CA THR 35 12.489 35.549 30.735 1.00 0.00 ATOM 271 CB THR 35 12.589 36.810 31.630 1.00 0.00 ATOM 272 CG2 THR 35 12.530 36.425 33.112 1.00 0.00 ATOM 273 OG1 THR 35 13.826 37.481 31.374 1.00 0.00 ATOM 274 O THR 35 10.533 35.718 29.393 1.00 0.00 ATOM 275 C THR 35 11.738 35.861 29.447 1.00 0.00 ATOM 276 N ALA 36 12.441 36.290 28.411 1.00 0.00 ATOM 277 CA ALA 36 11.795 36.509 27.124 1.00 0.00 ATOM 278 CB ALA 36 10.961 37.808 27.142 1.00 0.00 ATOM 279 O ALA 36 13.996 36.813 26.348 1.00 0.00 ATOM 280 C ALA 36 12.844 36.571 26.055 1.00 0.00 ATOM 281 N ALA 37 12.450 36.355 24.814 1.00 0.00 ATOM 282 CA ALA 37 13.379 36.514 23.697 1.00 0.00 ATOM 283 CB ALA 37 14.232 35.282 23.553 1.00 0.00 ATOM 284 O ALA 37 11.703 36.099 22.050 1.00 0.00 ATOM 285 C ALA 37 12.610 36.825 22.416 1.00 0.00 ATOM 286 N ASN 38 12.982 37.906 21.735 1.00 0.00 ATOM 287 CA ASN 38 12.245 38.379 20.565 1.00 0.00 ATOM 288 CB ASN 38 11.039 39.190 21.041 1.00 0.00 ATOM 289 CG ASN 38 11.410 40.242 22.064 1.00 0.00 ATOM 290 ND2 ASN 38 10.820 40.156 23.243 1.00 0.00 ATOM 291 OD1 ASN 38 12.225 41.118 21.794 1.00 0.00 ATOM 292 O ASN 38 14.332 39.279 19.852 1.00 0.00 ATOM 293 C ASN 38 13.141 39.214 19.649 1.00 0.00 ATOM 294 N GLU 39 12.593 39.881 18.653 1.00 0.00 ATOM 295 CA GLU 39 13.429 40.682 17.763 1.00 0.00 ATOM 296 CB GLU 39 12.587 41.360 16.691 1.00 0.00 ATOM 297 CG GLU 39 11.820 40.408 15.840 1.00 0.00 ATOM 298 CD GLU 39 10.970 41.118 14.809 1.00 0.00 ATOM 299 OE1 GLU 39 10.149 41.973 15.204 1.00 0.00 ATOM 300 OE2 GLU 39 11.128 40.792 13.614 1.00 0.00 ATOM 301 O GLU 39 15.242 42.210 17.951 1.00 0.00 ATOM 302 C GLU 39 14.239 41.749 18.479 1.00 0.00 ATOM 303 N GLU 40 13.818 42.142 19.676 1.00 0.00 ATOM 304 CA GLU 40 14.515 43.177 20.401 1.00 0.00 ATOM 305 CB GLU 40 13.595 43.931 21.358 1.00 0.00 ATOM 306 CG GLU 40 12.341 44.501 20.719 1.00 0.00 ATOM 307 CD GLU 40 12.629 45.252 19.450 1.00 0.00 ATOM 308 OE1 GLU 40 13.605 46.053 19.423 1.00 0.00 ATOM 309 OE2 GLU 40 11.870 45.036 18.478 1.00 0.00 ATOM 310 O GLU 40 16.513 43.402 21.604 1.00 0.00 ATOM 311 C GLU 40 15.657 42.637 21.194 1.00 0.00 ATOM 312 N GLY 41 15.699 41.330 21.406 1.00 0.00 ATOM 313 CA GLY 41 16.801 40.734 22.151 1.00 0.00 ATOM 314 O GLY 41 15.271 39.148 23.050 1.00 0.00 ATOM 315 C GLY 41 16.386 39.656 23.116 1.00 0.00 ATOM 316 N ILE 42 17.322 39.304 23.992 1.00 0.00 ATOM 317 CA ILE 42 17.177 38.238 24.948 1.00 0.00 ATOM 318 CB ILE 42 18.340 37.228 24.812 1.00 0.00 ATOM 319 CG1 ILE 42 18.350 36.639 23.391 1.00 0.00 ATOM 320 CG2 ILE 42 18.263 36.189 25.949 1.00 0.00 ATOM 321 CD1 ILE 42 19.645 35.963 22.912 1.00 0.00 ATOM 322 O ILE 42 18.114 39.529 26.728 1.00 0.00 ATOM 323 C ILE 42 17.189 38.836 26.360 1.00 0.00 ATOM 324 N PHE 43 16.153 38.533 27.141 1.00 0.00 ATOM 325 CA PHE 43 15.958 39.081 28.465 1.00 0.00 ATOM 326 CB PHE 43 14.594 39.730 28.558 1.00 0.00 ATOM 327 CG PHE 43 14.375 40.832 27.544 1.00 0.00 ATOM 328 CD1 PHE 43 14.028 40.535 26.242 1.00 0.00 ATOM 329 CD2 PHE 43 14.550 42.173 27.892 1.00 0.00 ATOM 330 CE1 PHE 43 13.841 41.552 25.306 1.00 0.00 ATOM 331 CE2 PHE 43 14.353 43.180 26.965 1.00 0.00 ATOM 332 CZ PHE 43 14.003 42.868 25.677 1.00 0.00 ATOM 333 O PHE 43 15.628 36.876 29.408 1.00 0.00 ATOM 334 C PHE 43 16.095 38.014 29.541 1.00 0.00 ATOM 335 N PHE 44 16.737 38.409 30.624 1.00 0.00 ATOM 336 CA PHE 44 16.985 37.526 31.728 1.00 0.00 ATOM 337 CB PHE 44 18.237 36.670 31.494 1.00 0.00 ATOM 338 CG PHE 44 19.495 37.444 31.307 1.00 0.00 ATOM 339 CD1 PHE 44 19.848 37.922 30.059 1.00 0.00 ATOM 340 CD2 PHE 44 20.354 37.651 32.351 1.00 0.00 ATOM 341 CE1 PHE 44 21.018 38.627 29.873 1.00 0.00 ATOM 342 CE2 PHE 44 21.528 38.338 32.151 1.00 0.00 ATOM 343 CZ PHE 44 21.858 38.816 30.903 1.00 0.00 ATOM 344 O PHE 44 17.111 39.565 32.894 1.00 0.00 ATOM 345 C PHE 44 17.070 38.362 32.975 1.00 0.00 ATOM 346 N MET 45 17.041 37.716 34.124 1.00 0.00 ATOM 347 CA MET 45 17.087 38.425 35.383 1.00 0.00 ATOM 348 CB MET 45 15.807 38.220 36.132 1.00 0.00 ATOM 349 CG MET 45 14.601 38.844 35.526 1.00 0.00 ATOM 350 SD MET 45 13.253 38.473 36.847 1.00 0.00 ATOM 351 CE MET 45 12.268 40.197 36.832 1.00 0.00 ATOM 352 O MET 45 18.598 36.734 36.178 1.00 0.00 ATOM 353 C MET 45 18.189 37.902 36.277 1.00 0.00 ATOM 354 N THR 46 18.656 38.776 37.160 1.00 0.00 ATOM 355 CA THR 46 19.497 38.362 38.242 1.00 0.00 ATOM 356 CB THR 46 21.020 38.100 37.841 1.00 0.00 ATOM 357 CG2 THR 46 21.666 39.280 37.095 1.00 0.00 ATOM 358 OG1 THR 46 21.788 37.716 39.021 1.00 0.00 ATOM 359 O THR 46 18.688 40.345 39.184 1.00 0.00 ATOM 360 C THR 46 19.354 39.352 39.328 1.00 0.00 ATOM 361 N SER 47 19.944 39.044 40.453 1.00 0.00 ATOM 362 CA SER 47 19.796 39.871 41.602 1.00 0.00 ATOM 363 CB SER 47 19.479 38.952 42.774 1.00 0.00 ATOM 364 OG SER 47 19.565 39.665 43.968 1.00 0.00 ATOM 365 O SER 47 22.153 40.272 41.600 1.00 0.00 ATOM 366 C SER 47 21.055 40.716 41.846 1.00 0.00 ATOM 367 N PRO 48 20.893 41.944 42.347 1.00 0.00 ATOM 368 CA PRO 48 22.020 42.737 42.838 1.00 0.00 ATOM 369 CB PRO 48 21.338 43.856 43.647 1.00 0.00 ATOM 370 CG PRO 48 20.003 44.020 42.998 1.00 0.00 ATOM 371 CD PRO 48 19.611 42.653 42.485 1.00 0.00 ATOM 372 O PRO 48 22.374 40.989 44.380 1.00 0.00 ATOM 373 C PRO 48 22.874 41.935 43.787 1.00 0.00 ATOM 374 N GLU 49 24.139 42.291 43.965 1.00 0.00 ATOM 375 CA GLU 49 24.963 41.548 44.925 1.00 0.00 ATOM 376 CB GLU 49 24.418 41.726 46.365 1.00 0.00 ATOM 377 O GLU 49 25.426 39.196 45.360 1.00 0.00 ATOM 378 C GLU 49 25.123 40.036 44.544 1.00 0.00 ATOM 379 N THR 50 24.916 39.673 43.296 1.00 0.00 ATOM 380 CA THR 50 25.405 38.394 42.861 1.00 0.00 ATOM 381 CB THR 50 24.359 37.593 42.080 1.00 0.00 ATOM 382 CG2 THR 50 23.152 37.374 42.933 1.00 0.00 ATOM 383 OG1 THR 50 23.981 38.333 40.913 1.00 0.00 ATOM 384 O THR 50 26.614 39.831 41.360 1.00 0.00 ATOM 385 C THR 50 26.548 38.725 41.939 1.00 0.00 ATOM 386 N HIS 51 27.402 37.730 41.743 1.00 0.00 ATOM 387 CA HIS 51 28.554 37.884 40.907 1.00 0.00 ATOM 388 CB HIS 51 29.485 36.670 41.072 1.00 0.00 ATOM 389 CG HIS 51 29.910 36.430 42.498 1.00 0.00 ATOM 390 CD2 HIS 51 29.860 35.320 43.266 1.00 0.00 ATOM 391 ND1 HIS 51 30.525 37.392 43.256 1.00 0.00 ATOM 392 CE1 HIS 51 30.796 36.905 44.457 1.00 0.00 ATOM 393 NE2 HIS 51 30.395 35.648 44.494 1.00 0.00 ATOM 394 O HIS 51 28.711 38.865 38.771 1.00 0.00 ATOM 395 C HIS 51 28.102 38.067 39.492 1.00 0.00 ATOM 396 N PHE 52 27.049 37.336 39.080 1.00 0.00 ATOM 397 CA PHE 52 26.519 37.474 37.670 1.00 0.00 ATOM 398 CB PHE 52 25.256 36.602 37.533 1.00 0.00 ATOM 399 CG PHE 52 24.672 36.475 36.172 1.00 0.00 ATOM 400 CD1 PHE 52 25.384 36.688 35.022 1.00 0.00 ATOM 401 CD2 PHE 52 23.384 36.006 36.055 1.00 0.00 ATOM 402 CE1 PHE 52 24.795 36.493 33.790 1.00 0.00 ATOM 403 CE2 PHE 52 22.832 35.788 34.835 1.00 0.00 ATOM 404 CZ PHE 52 23.514 36.040 33.723 1.00 0.00 ATOM 405 O PHE 52 26.690 39.576 36.536 1.00 0.00 ATOM 406 C PHE 52 26.236 38.964 37.492 1.00 0.00 ATOM 407 N TYR 53 25.580 39.565 38.500 1.00 0.00 ATOM 408 CA TYR 53 25.149 40.974 38.390 1.00 0.00 ATOM 409 CB TYR 53 24.261 41.341 39.585 1.00 0.00 ATOM 410 CG TYR 53 23.830 42.798 39.712 1.00 0.00 ATOM 411 CD1 TYR 53 24.636 43.731 40.327 1.00 0.00 ATOM 412 CD2 TYR 53 22.580 43.223 39.253 1.00 0.00 ATOM 413 CE1 TYR 53 24.218 45.055 40.494 1.00 0.00 ATOM 414 CE2 TYR 53 22.170 44.547 39.385 1.00 0.00 ATOM 415 CZ TYR 53 22.994 45.461 39.999 1.00 0.00 ATOM 416 OH TYR 53 22.580 46.782 40.155 1.00 0.00 ATOM 417 O TYR 53 26.477 42.735 37.438 1.00 0.00 ATOM 418 C TYR 53 26.356 41.892 38.325 1.00 0.00 ATOM 419 N ASP 54 27.262 41.713 39.279 1.00 0.00 ATOM 420 CA ASP 54 28.515 42.456 39.271 1.00 0.00 ATOM 421 CB ASP 54 29.414 41.910 40.314 1.00 0.00 ATOM 422 CG ASP 54 28.953 42.272 41.683 1.00 0.00 ATOM 423 OD1 ASP 54 27.847 42.880 41.737 1.00 0.00 ATOM 424 OD2 ASP 54 29.685 41.952 42.653 1.00 0.00 ATOM 425 O ASP 54 29.743 43.341 37.445 1.00 0.00 ATOM 426 C ASP 54 29.242 42.355 37.961 1.00 0.00 ATOM 427 N GLN 55 29.344 41.150 37.458 1.00 0.00 ATOM 428 CA GLN 55 30.120 40.953 36.222 1.00 0.00 ATOM 429 CB GLN 55 30.255 39.469 35.925 1.00 0.00 ATOM 430 CG GLN 55 31.272 38.793 36.868 1.00 0.00 ATOM 431 CD GLN 55 31.027 37.328 37.056 1.00 0.00 ATOM 432 OE1 GLN 55 30.478 36.689 36.171 1.00 0.00 ATOM 433 NE2 GLN 55 31.400 36.786 38.220 1.00 0.00 ATOM 434 O GLN 55 30.163 42.459 34.398 1.00 0.00 ATOM 435 C GLN 55 29.488 41.709 35.096 1.00 0.00 ATOM 436 N LEU 56 28.180 41.540 34.925 1.00 0.00 ATOM 437 CA LEU 56 27.456 42.203 33.797 1.00 0.00 ATOM 438 CB LEU 56 25.973 41.809 33.797 1.00 0.00 ATOM 439 CG LEU 56 25.625 40.392 33.373 1.00 0.00 ATOM 440 CD1 LEU 56 24.235 40.025 33.839 1.00 0.00 ATOM 441 CD2 LEU 56 25.783 40.312 31.850 1.00 0.00 ATOM 442 O LEU 56 27.729 44.443 32.946 1.00 0.00 ATOM 443 C LEU 56 27.558 43.712 33.925 1.00 0.00 ATOM 444 N MET 57 27.480 44.186 35.156 1.00 0.00 ATOM 445 CA MET 57 27.559 45.613 35.364 1.00 0.00 ATOM 446 CB MET 57 27.169 45.995 36.794 1.00 0.00 ATOM 447 CG MET 57 25.691 45.826 37.119 1.00 0.00 ATOM 448 SD MET 57 24.490 46.949 36.037 1.00 0.00 ATOM 449 CE MET 57 24.914 48.554 37.078 1.00 0.00 ATOM 450 O MET 57 29.091 47.274 34.662 1.00 0.00 ATOM 451 C MET 57 28.947 46.127 35.062 1.00 0.00 ATOM 452 N GLY 58 29.967 45.298 35.269 1.00 0.00 ATOM 453 CA GLY 58 31.333 45.744 35.040 1.00 0.00 ATOM 454 O GLY 58 32.637 46.294 33.106 1.00 0.00 ATOM 455 C GLY 58 31.769 45.589 33.595 1.00 0.00 ATOM 456 N ASP 59 31.139 44.683 32.888 1.00 0.00 ATOM 457 CA ASP 59 31.525 44.385 31.543 1.00 0.00 ATOM 458 CB ASP 59 32.673 43.381 31.599 1.00 0.00 ATOM 459 CG ASP 59 33.335 43.142 30.235 1.00 0.00 ATOM 460 OD1 ASP 59 32.670 43.294 29.183 1.00 0.00 ATOM 461 OD2 ASP 59 34.544 42.806 30.249 1.00 0.00 ATOM 462 O ASP 59 29.839 42.710 31.203 1.00 0.00 ATOM 463 C ASP 59 30.320 43.777 30.825 1.00 0.00 ATOM 464 N GLN 60 29.861 44.453 29.783 1.00 0.00 ATOM 465 CA GLN 60 28.653 44.072 29.063 1.00 0.00 ATOM 466 CB GLN 60 28.256 45.200 28.131 1.00 0.00 ATOM 467 CG GLN 60 27.705 46.414 28.840 1.00 0.00 ATOM 468 CD GLN 60 26.844 47.287 27.912 1.00 0.00 ATOM 469 OE1 GLN 60 26.884 47.104 26.656 1.00 0.00 ATOM 470 NE2 GLN 60 26.068 48.268 28.518 1.00 0.00 ATOM 471 O GLN 60 27.733 42.303 27.712 1.00 0.00 ATOM 472 C GLN 60 28.762 42.828 28.222 1.00 0.00 ATOM 473 N ARG 61 30.001 42.379 28.004 1.00 0.00 ATOM 474 CA ARG 61 30.235 41.290 27.060 1.00 0.00 ATOM 475 CB ARG 61 31.721 41.148 26.742 1.00 0.00 ATOM 476 CG ARG 61 32.234 42.259 25.859 1.00 0.00 ATOM 477 CD ARG 61 33.718 42.145 25.638 1.00 0.00 ATOM 478 NE ARG 61 34.493 42.403 26.817 1.00 0.00 ATOM 479 CZ ARG 61 35.796 42.160 26.916 1.00 0.00 ATOM 480 NH1 ARG 61 36.498 41.662 25.909 1.00 0.00 ATOM 481 NH2 ARG 61 36.412 42.442 28.034 1.00 0.00 ATOM 482 O ARG 61 29.912 39.594 28.735 1.00 0.00 ATOM 483 C ARG 61 29.674 39.994 27.573 1.00 0.00 ATOM 484 N VAL 62 28.878 39.351 26.732 1.00 0.00 ATOM 485 CA VAL 62 28.268 38.091 27.171 1.00 0.00 ATOM 486 CB VAL 62 26.827 38.353 27.799 1.00 0.00 ATOM 487 CG1 VAL 62 25.848 38.875 26.720 1.00 0.00 ATOM 488 CG2 VAL 62 26.297 37.117 28.431 1.00 0.00 ATOM 489 O VAL 62 28.118 37.442 24.851 1.00 0.00 ATOM 490 C VAL 62 28.233 37.076 26.040 1.00 0.00 ATOM 491 N ALA 63 28.380 35.794 26.382 1.00 0.00 ATOM 492 CA ALA 63 28.067 34.698 25.431 1.00 0.00 ATOM 493 CB ALA 63 29.303 33.846 25.121 1.00 0.00 ATOM 494 O ALA 63 26.957 33.612 27.243 1.00 0.00 ATOM 495 C ALA 63 26.970 33.826 26.052 1.00 0.00 ATOM 496 N MET 64 26.044 33.317 25.251 1.00 0.00 ATOM 497 CA MET 64 25.009 32.435 25.825 1.00 0.00 ATOM 498 CB MET 64 23.680 33.176 25.901 1.00 0.00 ATOM 499 CG MET 64 22.505 32.349 26.540 1.00 0.00 ATOM 500 SD MET 64 20.845 32.732 25.602 1.00 0.00 ATOM 501 CE MET 64 21.364 32.011 23.820 1.00 0.00 ATOM 502 O MET 64 24.875 31.345 23.724 1.00 0.00 ATOM 503 C MET 64 24.841 31.220 24.938 1.00 0.00 ATOM 504 N THR 65 24.645 30.051 25.536 1.00 0.00 ATOM 505 CA THR 65 24.210 28.903 24.758 1.00 0.00 ATOM 506 CB THR 65 25.359 27.874 24.566 1.00 0.00 ATOM 507 CG2 THR 65 24.925 26.734 23.644 1.00 0.00 ATOM 508 OG1 THR 65 26.491 28.558 24.007 1.00 0.00 ATOM 509 O THR 65 22.882 28.273 26.651 1.00 0.00 ATOM 510 C THR 65 22.995 28.298 25.417 1.00 0.00 ATOM 511 N ALA 66 22.067 27.870 24.587 1.00 0.00 ATOM 512 CA ALA 66 20.836 27.247 25.059 1.00 0.00 ATOM 513 CB ALA 66 19.650 28.252 25.031 1.00 0.00 ATOM 514 O ALA 66 21.011 26.039 22.991 1.00 0.00 ATOM 515 C ALA 66 20.579 26.059 24.156 1.00 0.00 ATOM 516 N ILE 67 19.873 25.079 24.698 1.00 0.00 ATOM 517 CA ILE 67 19.646 23.806 24.014 1.00 0.00 ATOM 518 CB ILE 67 20.769 22.803 24.326 1.00 0.00 ATOM 519 CG1 ILE 67 20.580 21.504 23.545 1.00 0.00 ATOM 520 CG2 ILE 67 20.824 22.498 25.825 1.00 0.00 ATOM 521 CD1 ILE 67 21.805 20.597 23.611 1.00 0.00 ATOM 522 O ILE 67 17.927 23.374 25.610 1.00 0.00 ATOM 523 C ILE 67 18.301 23.251 24.456 1.00 0.00 ATOM 524 N SER 68 17.550 22.708 23.512 1.00 0.00 ATOM 525 CA SER 68 16.272 22.082 23.799 1.00 0.00 ATOM 526 CB SER 68 15.108 22.827 23.159 1.00 0.00 ATOM 527 OG SER 68 13.850 22.246 23.499 1.00 0.00 ATOM 528 O SER 68 16.651 20.619 22.000 1.00 0.00 ATOM 529 C SER 68 16.337 20.735 23.183 1.00 0.00 ATOM 530 N GLU 69 16.070 19.725 24.012 1.00 0.00 ATOM 531 CA GLU 69 15.648 18.400 23.558 1.00 0.00 ATOM 532 CB GLU 69 16.578 17.326 24.157 1.00 0.00 ATOM 533 CG GLU 69 18.091 17.814 24.140 1.00 0.00 ATOM 534 CD GLU 69 19.100 16.759 24.585 1.00 0.00 ATOM 535 O GLU 69 13.671 17.073 24.017 1.00 0.00 ATOM 536 C GLU 69 14.143 18.203 23.881 1.00 0.00 ATOM 537 N GLU 70 13.393 19.315 23.979 1.00 0.00 ATOM 538 CA GLU 70 11.903 19.273 24.040 1.00 0.00 ATOM 539 CB GLU 70 11.279 20.598 24.550 1.00 0.00 ATOM 540 O GLU 70 11.782 19.400 21.601 1.00 0.00 ATOM 541 C GLU 70 11.332 18.902 22.652 1.00 0.00 ATOM 542 N GLY 71 10.341 18.017 22.666 1.00 0.00 ATOM 543 CA GLY 71 9.852 17.348 21.457 1.00 0.00 ATOM 544 O GLY 71 11.810 15.904 21.447 1.00 0.00 ATOM 545 C GLY 71 10.892 16.438 20.804 1.00 0.00 ATOM 546 N TYR 72 10.767 16.318 19.498 1.00 0.00 ATOM 547 CA TYR 72 11.597 15.442 18.753 1.00 0.00 ATOM 548 CB TYR 72 10.763 14.700 17.711 1.00 0.00 ATOM 549 CG TYR 72 10.349 15.506 16.522 1.00 0.00 ATOM 550 CD1 TYR 72 9.230 16.321 16.588 1.00 0.00 ATOM 551 CD2 TYR 72 11.050 15.427 15.325 1.00 0.00 ATOM 552 CE1 TYR 72 8.823 17.071 15.501 1.00 0.00 ATOM 553 CE2 TYR 72 10.659 16.163 14.226 1.00 0.00 ATOM 554 CZ TYR 72 9.534 16.994 14.315 1.00 0.00 ATOM 555 OH TYR 72 9.101 17.756 13.238 1.00 0.00 ATOM 556 O TYR 72 13.440 15.522 17.361 1.00 0.00 ATOM 557 C TYR 72 12.718 16.151 18.080 1.00 0.00 ATOM 558 N LEU 73 12.867 17.450 18.287 1.00 0.00 ATOM 559 CA LEU 73 13.980 18.172 17.710 1.00 0.00 ATOM 560 CB LEU 73 13.526 19.533 17.183 1.00 0.00 ATOM 561 CG LEU 73 12.593 19.482 15.989 1.00 0.00 ATOM 562 CD1 LEU 73 12.404 20.874 15.440 1.00 0.00 ATOM 563 CD2 LEU 73 13.175 18.566 14.944 1.00 0.00 ATOM 564 O LEU 73 14.796 18.369 19.930 1.00 0.00 ATOM 565 C LEU 73 15.075 18.358 18.737 1.00 0.00 ATOM 566 N ILE 74 16.320 18.482 18.271 1.00 0.00 ATOM 567 CA ILE 74 17.433 18.900 19.132 1.00 0.00 ATOM 568 CB ILE 74 18.657 17.939 19.148 1.00 0.00 ATOM 569 CG1 ILE 74 18.224 16.503 19.478 1.00 0.00 ATOM 570 CG2 ILE 74 19.729 18.476 20.172 1.00 0.00 ATOM 571 CD1 ILE 74 17.931 16.294 20.946 1.00 0.00 ATOM 572 O ILE 74 18.499 20.316 17.548 1.00 0.00 ATOM 573 C ILE 74 17.935 20.224 18.626 1.00 0.00 ATOM 574 N GLN 75 17.734 21.255 19.420 1.00 0.00 ATOM 575 CA GLN 75 17.943 22.599 18.936 1.00 0.00 ATOM 576 CB GLN 75 16.623 23.334 18.940 1.00 0.00 ATOM 577 CG GLN 75 15.739 22.840 17.849 1.00 0.00 ATOM 578 CD GLN 75 14.360 23.386 17.941 1.00 0.00 ATOM 579 OE1 GLN 75 13.636 23.086 18.868 1.00 0.00 ATOM 580 NE2 GLN 75 13.974 24.180 16.962 1.00 0.00 ATOM 581 O GLN 75 18.826 23.288 21.043 1.00 0.00 ATOM 582 C GLN 75 18.943 23.301 19.803 1.00 0.00 ATOM 583 N VAL 76 19.927 23.911 19.143 1.00 0.00 ATOM 584 CA VAL 76 20.982 24.642 19.810 1.00 0.00 ATOM 585 CB VAL 76 22.361 23.963 19.599 1.00 0.00 ATOM 586 CG1 VAL 76 23.427 24.805 20.175 1.00 0.00 ATOM 587 CG2 VAL 76 22.359 22.616 20.260 1.00 0.00 ATOM 588 O VAL 76 20.938 26.293 18.085 1.00 0.00 ATOM 589 C VAL 76 20.996 26.073 19.296 1.00 0.00 ATOM 590 N VAL 77 21.037 27.025 20.235 1.00 0.00 ATOM 591 CA VAL 77 21.266 28.425 19.915 1.00 0.00 ATOM 592 CB VAL 77 20.032 29.343 20.278 1.00 0.00 ATOM 593 CG1 VAL 77 20.337 30.815 20.030 1.00 0.00 ATOM 594 CG2 VAL 77 18.826 28.969 19.477 1.00 0.00 ATOM 595 O VAL 77 22.621 28.650 21.880 1.00 0.00 ATOM 596 C VAL 77 22.500 28.902 20.671 1.00 0.00 ATOM 597 N ARG 78 23.403 29.576 19.948 1.00 0.00 ATOM 598 CA ARG 78 24.564 30.259 20.525 1.00 0.00 ATOM 599 CB ARG 78 25.874 29.667 19.994 1.00 0.00 ATOM 600 CG ARG 78 26.221 28.294 20.575 1.00 0.00 ATOM 601 CD ARG 78 27.493 27.704 19.970 1.00 0.00 ATOM 602 NE ARG 78 28.702 28.433 20.377 1.00 0.00 ATOM 603 CZ ARG 78 29.887 28.282 19.803 1.00 0.00 ATOM 604 NH1 ARG 78 30.038 27.425 18.809 1.00 0.00 ATOM 605 NH2 ARG 78 30.928 28.998 20.212 1.00 0.00 ATOM 606 O ARG 78 24.345 32.079 18.954 1.00 0.00 ATOM 607 C ARG 78 24.533 31.740 20.135 1.00 0.00 ATOM 608 N VAL 79 24.724 32.617 21.120 1.00 0.00 ATOM 609 CA VAL 79 24.735 34.050 20.880 1.00 0.00 ATOM 610 CB VAL 79 23.482 34.734 21.467 1.00 0.00 ATOM 611 CG1 VAL 79 23.596 36.264 21.410 1.00 0.00 ATOM 612 CG2 VAL 79 22.275 34.287 20.713 1.00 0.00 ATOM 613 O VAL 79 26.413 34.262 22.559 1.00 0.00 ATOM 614 C VAL 79 25.985 34.661 21.501 1.00 0.00 ATOM 615 N GLU 80 26.595 35.623 20.807 1.00 0.00 ATOM 616 CA GLU 80 27.666 36.409 21.425 1.00 0.00 ATOM 617 CB GLU 80 28.978 36.148 20.674 1.00 0.00 ATOM 618 CG GLU 80 29.514 34.752 20.929 1.00 0.00 ATOM 619 CD GLU 80 30.581 34.315 19.944 1.00 0.00 ATOM 620 OE1 GLU 80 30.990 35.177 19.125 1.00 0.00 ATOM 621 OE2 GLU 80 31.009 33.120 20.025 1.00 0.00 ATOM 622 O GLU 80 26.952 38.339 20.197 1.00 0.00 ATOM 623 C GLU 80 27.263 37.879 21.295 1.00 0.00 ATOM 624 N GLY 81 27.241 38.610 22.382 1.00 0.00 ATOM 625 CA GLY 81 26.939 40.033 22.247 1.00 0.00 ATOM 626 O GLY 81 28.082 40.531 24.313 1.00 0.00 ATOM 627 C GLY 81 27.164 40.825 23.507 1.00 0.00 ATOM 628 N THR 82 26.323 41.843 23.672 1.00 0.00 ATOM 629 CA THR 82 26.428 42.763 24.810 1.00 0.00 ATOM 630 CB THR 82 26.929 44.171 24.341 1.00 0.00 ATOM 631 CG2 THR 82 28.360 44.130 23.964 1.00 0.00 ATOM 632 OG1 THR 82 26.197 44.577 23.185 1.00 0.00 ATOM 633 O THR 82 24.025 42.982 24.914 1.00 0.00 ATOM 634 C THR 82 25.072 42.873 25.550 1.00 0.00 ATOM 635 N ALA 83 25.124 42.859 26.888 1.00 0.00 ATOM 636 CA ALA 83 23.952 42.993 27.743 1.00 0.00 ATOM 637 CB ALA 83 23.804 41.751 28.688 1.00 0.00 ATOM 638 O ALA 83 25.005 44.747 29.040 1.00 0.00 ATOM 639 C ALA 83 23.963 44.275 28.584 1.00 0.00 ATOM 640 N ARG 84 22.778 44.811 28.818 1.00 0.00 ATOM 641 CA ARG 84 22.606 46.024 29.634 1.00 0.00 ATOM 642 CB ARG 84 22.338 47.236 28.766 1.00 0.00 ATOM 643 CG ARG 84 21.043 47.122 28.017 1.00 0.00 ATOM 644 CD ARG 84 20.871 48.227 27.037 1.00 0.00 ATOM 645 NE ARG 84 19.674 47.999 26.234 1.00 0.00 ATOM 646 CZ ARG 84 19.418 48.559 25.070 1.00 0.00 ATOM 647 NH1 ARG 84 20.246 49.444 24.555 1.00 0.00 ATOM 648 NH2 ARG 84 18.305 48.242 24.421 1.00 0.00 ATOM 649 O ARG 84 20.478 45.089 30.277 1.00 0.00 ATOM 650 C ARG 84 21.439 45.837 30.577 1.00 0.00 ATOM 651 N PRO 85 21.491 46.536 31.720 1.00 0.00 ATOM 652 CA PRO 85 20.331 46.458 32.585 1.00 0.00 ATOM 653 CB PRO 85 20.830 47.079 33.881 1.00 0.00 ATOM 654 CG PRO 85 21.856 48.061 33.439 1.00 0.00 ATOM 655 CD PRO 85 22.519 47.457 32.226 1.00 0.00 ATOM 656 O PRO 85 19.450 48.265 31.236 1.00 0.00 ATOM 657 C PRO 85 19.198 47.271 31.927 1.00 0.00 ATOM 658 N VAL 86 17.955 46.854 32.119 1.00 0.00 ATOM 659 CA VAL 86 16.846 47.649 31.635 1.00 0.00 ATOM 660 CB VAL 86 16.269 47.041 30.331 1.00 0.00 ATOM 661 CG1 VAL 86 17.338 47.072 29.233 1.00 0.00 ATOM 662 CG2 VAL 86 15.739 45.591 30.549 1.00 0.00 ATOM 663 O VAL 86 15.591 46.940 33.538 1.00 0.00 ATOM 664 C VAL 86 15.800 47.829 32.722 1.00 0.00 ATOM 665 N GLU 87 15.152 49.002 32.716 1.00 0.00 ATOM 666 CA GLU 87 14.070 49.350 33.635 1.00 0.00 ATOM 667 CB GLU 87 14.266 50.772 34.166 1.00 0.00 ATOM 668 CG GLU 87 15.535 50.956 35.020 1.00 0.00 ATOM 669 CD GLU 87 15.708 49.882 36.109 1.00 0.00 ATOM 670 OE1 GLU 87 14.980 49.962 37.123 1.00 0.00 ATOM 671 OE2 GLU 87 16.568 48.971 35.945 1.00 0.00 ATOM 672 O GLU 87 12.634 48.967 31.766 1.00 0.00 ATOM 673 C GLU 87 12.711 49.214 32.959 1.00 0.00 ATOM 674 N ASN 88 11.638 49.349 33.742 1.00 0.00 ATOM 675 CA ASN 88 10.261 49.232 33.234 1.00 0.00 ATOM 676 CB ASN 88 9.285 49.476 34.366 1.00 0.00 ATOM 677 CG ASN 88 9.332 48.394 35.430 1.00 0.00 ATOM 678 ND2 ASN 88 8.637 48.628 36.544 1.00 0.00 ATOM 679 OD1 ASN 88 9.981 47.373 35.263 1.00 0.00 ATOM 680 O ASN 88 9.184 49.843 31.180 1.00 0.00 ATOM 681 C ASN 88 9.918 50.185 32.101 1.00 0.00 ATOM 682 N ASP 89 10.436 51.398 32.218 1.00 0.00 ATOM 683 CA ASP 89 10.337 52.414 31.179 1.00 0.00 ATOM 684 CB ASP 89 11.348 53.556 31.458 1.00 0.00 ATOM 685 CG ASP 89 10.833 54.585 32.461 1.00 0.00 ATOM 686 OD1 ASP 89 9.706 54.406 32.981 1.00 0.00 ATOM 687 OD2 ASP 89 11.542 55.594 32.711 1.00 0.00 ATOM 688 O ASP 89 9.848 52.010 28.866 1.00 0.00 ATOM 689 C ASP 89 10.611 51.796 29.809 1.00 0.00 ATOM 690 N TYR 90 11.695 51.029 29.712 1.00 0.00 ATOM 691 CA TYR 90 12.085 50.434 28.441 1.00 0.00 ATOM 692 CB TYR 90 13.572 50.071 28.427 1.00 0.00 ATOM 693 CG TYR 90 13.926 49.316 27.186 1.00 0.00 ATOM 694 CD1 TYR 90 13.963 49.957 25.953 1.00 0.00 ATOM 695 CD2 TYR 90 14.169 47.946 27.221 1.00 0.00 ATOM 696 CE1 TYR 90 14.245 49.261 24.809 1.00 0.00 ATOM 697 CE2 TYR 90 14.447 47.260 26.082 1.00 0.00 ATOM 698 CZ TYR 90 14.489 47.935 24.876 1.00 0.00 ATOM 699 OH TYR 90 14.773 47.253 23.744 1.00 0.00 ATOM 700 O TYR 90 10.771 48.997 27.029 1.00 0.00 ATOM 701 C TYR 90 11.255 49.190 28.144 1.00 0.00 ATOM 702 N LEU 91 11.094 48.342 29.152 1.00 0.00 ATOM 703 CA LEU 91 10.346 47.104 28.982 1.00 0.00 ATOM 704 CB LEU 91 10.310 46.296 30.294 1.00 0.00 ATOM 705 CG LEU 91 11.683 45.794 30.762 1.00 0.00 ATOM 706 CD1 LEU 91 11.717 45.518 32.284 1.00 0.00 ATOM 707 CD2 LEU 91 12.088 44.577 29.950 1.00 0.00 ATOM 708 O LEU 91 8.498 46.618 27.584 1.00 0.00 ATOM 709 C LEU 91 8.945 47.365 28.438 1.00 0.00 ATOM 710 N LYS 92 8.285 48.430 28.893 1.00 0.00 ATOM 711 CA LYS 92 6.931 48.771 28.441 1.00 0.00 ATOM 712 CB LYS 92 6.328 50.002 29.200 1.00 0.00 ATOM 713 CG LYS 92 6.078 49.759 30.751 1.00 0.00 ATOM 714 CD LYS 92 4.927 50.562 31.425 1.00 0.00 ATOM 715 CE LYS 92 4.673 50.176 32.955 1.00 0.00 ATOM 716 NZ LYS 92 3.811 48.945 33.272 1.00 0.00 ATOM 717 O LYS 92 5.835 48.630 26.306 1.00 0.00 ATOM 718 C LYS 92 6.839 48.976 26.932 1.00 0.00 ATOM 719 N THR 93 7.886 49.533 26.345 1.00 0.00 ATOM 720 CA THR 93 7.897 49.719 24.908 1.00 0.00 ATOM 721 CB THR 93 8.989 50.690 24.460 1.00 0.00 ATOM 722 CG2 THR 93 8.947 51.973 25.302 1.00 0.00 ATOM 723 OG1 THR 93 10.265 50.057 24.562 1.00 0.00 ATOM 724 O THR 93 7.652 48.288 23.041 1.00 0.00 ATOM 725 C THR 93 8.074 48.405 24.169 1.00 0.00 ATOM 726 N VAL 94 8.670 47.408 24.810 1.00 0.00 ATOM 727 CA VAL 94 8.803 46.097 24.198 1.00 0.00 ATOM 728 CB VAL 94 10.067 45.377 24.671 1.00 0.00 ATOM 729 CG1 VAL 94 10.086 43.955 24.100 1.00 0.00 ATOM 730 CG2 VAL 94 11.278 46.136 24.244 1.00 0.00 ATOM 731 O VAL 94 7.057 44.569 23.548 1.00 0.00 ATOM 732 C VAL 94 7.573 45.194 24.465 1.00 0.00 ATOM 733 N PHE 95 7.124 45.115 25.716 1.00 0.00 ATOM 734 CA PHE 95 6.087 44.137 26.099 1.00 0.00 ATOM 735 CB PHE 95 6.496 43.428 27.379 1.00 0.00 ATOM 736 CG PHE 95 7.771 42.683 27.216 1.00 0.00 ATOM 737 CD1 PHE 95 7.787 41.485 26.492 1.00 0.00 ATOM 738 CD2 PHE 95 8.973 43.220 27.687 1.00 0.00 ATOM 739 CE1 PHE 95 8.965 40.823 26.275 1.00 0.00 ATOM 740 CE2 PHE 95 10.160 42.558 27.478 1.00 0.00 ATOM 741 CZ PHE 95 10.159 41.349 26.764 1.00 0.00 ATOM 742 O PHE 95 3.748 44.021 26.008 1.00 0.00 ATOM 743 C PHE 95 4.714 44.723 26.236 1.00 0.00 ATOM 744 N ALA 96 4.643 46.008 26.600 1.00 0.00 ATOM 745 CA ALA 96 3.398 46.749 26.669 1.00 0.00 ATOM 746 CB ALA 96 2.824 46.972 25.270 1.00 0.00 ATOM 747 O ALA 96 2.808 45.465 28.592 1.00 0.00 ATOM 748 C ALA 96 2.417 46.001 27.544 1.00 0.00 ATOM 749 N ASP 97 1.166 45.935 27.081 1.00 0.00 ATOM 750 CA ASP 97 0.046 45.371 27.838 1.00 0.00 ATOM 751 CB ASP 97 -1.265 46.066 27.407 1.00 0.00 ATOM 752 O ASP 97 -1.029 43.257 28.248 1.00 0.00 ATOM 753 C ASP 97 -0.093 43.838 27.701 1.00 0.00 ATOM 754 N ASN 98 0.826 43.182 26.987 1.00 0.00 ATOM 755 CA ASN 98 0.709 41.742 26.728 1.00 0.00 ATOM 756 CB ASN 98 1.832 41.264 25.806 1.00 0.00 ATOM 757 CG ASN 98 1.702 39.790 25.425 1.00 0.00 ATOM 758 ND2 ASN 98 2.427 39.400 24.387 1.00 0.00 ATOM 759 OD1 ASN 98 0.972 39.012 26.058 1.00 0.00 ATOM 760 O ASN 98 1.697 40.893 28.757 1.00 0.00 ATOM 761 C ASN 98 0.697 40.926 28.033 1.00 0.00 ATOM 762 N PRO 99 -0.435 40.263 28.332 1.00 0.00 ATOM 763 CA PRO 99 -0.596 39.604 29.644 1.00 0.00 ATOM 764 CB PRO 99 -2.024 39.038 29.585 1.00 0.00 ATOM 765 CG PRO 99 -2.695 39.772 28.462 1.00 0.00 ATOM 766 CD PRO 99 -1.631 40.095 27.481 1.00 0.00 ATOM 767 O PRO 99 0.724 38.258 31.149 1.00 0.00 ATOM 768 C PRO 99 0.423 38.488 29.968 1.00 0.00 ATOM 769 N TYR 100 0.945 37.817 28.936 1.00 0.00 ATOM 770 CA TYR 100 1.943 36.757 29.117 1.00 0.00 ATOM 771 CB TYR 100 2.192 36.005 27.788 1.00 0.00 ATOM 772 CG TYR 100 3.235 34.894 27.850 1.00 0.00 ATOM 773 O TYR 100 4.064 36.542 30.204 1.00 0.00 ATOM 774 C TYR 100 3.254 37.318 29.692 1.00 0.00 ATOM 775 N TYR 101 3.454 38.650 29.638 1.00 0.00 ATOM 776 CA TYR 101 4.763 39.275 29.991 1.00 0.00 ATOM 777 CB TYR 101 5.432 39.853 28.739 1.00 0.00 ATOM 778 CG TYR 101 5.741 38.811 27.690 1.00 0.00 ATOM 779 CD1 TYR 101 6.746 37.870 27.893 1.00 0.00 ATOM 780 CD2 TYR 101 5.020 38.764 26.497 1.00 0.00 ATOM 781 CE1 TYR 101 7.031 36.913 26.933 1.00 0.00 ATOM 782 CE2 TYR 101 5.291 37.819 25.538 1.00 0.00 ATOM 783 CZ TYR 101 6.294 36.895 25.757 1.00 0.00 ATOM 784 OH TYR 101 6.554 35.953 24.796 1.00 0.00 ATOM 785 O TYR 101 5.772 41.022 31.322 1.00 0.00 ATOM 786 C TYR 101 4.746 40.354 31.084 1.00 0.00 ATOM 787 N GLN 102 3.606 40.496 31.762 1.00 0.00 ATOM 788 CA GLN 102 3.460 41.476 32.848 1.00 0.00 ATOM 789 CB GLN 102 1.995 41.560 33.318 1.00 0.00 ATOM 790 CG GLN 102 0.998 42.058 32.261 1.00 0.00 ATOM 791 CD GLN 102 1.245 43.499 31.798 1.00 0.00 ATOM 792 OE1 GLN 102 1.991 43.735 30.846 1.00 0.00 ATOM 793 NE2 GLN 102 0.586 44.455 32.447 1.00 0.00 ATOM 794 O GLN 102 4.753 42.116 34.775 1.00 0.00 ATOM 795 C GLN 102 4.382 41.201 34.048 1.00 0.00 ATOM 796 N HIS 103 4.753 39.945 34.259 1.00 0.00 ATOM 797 CA HIS 103 5.671 39.605 35.349 1.00 0.00 ATOM 798 CB HIS 103 5.846 38.077 35.464 1.00 0.00 ATOM 799 CG HIS 103 6.349 37.420 34.217 1.00 0.00 ATOM 800 CD2 HIS 103 5.690 36.918 33.145 1.00 0.00 ATOM 801 ND1 HIS 103 7.692 37.207 33.975 1.00 0.00 ATOM 802 CE1 HIS 103 7.838 36.609 32.805 1.00 0.00 ATOM 803 NE2 HIS 103 6.639 36.426 32.278 1.00 0.00 ATOM 804 O HIS 103 7.717 40.536 36.259 1.00 0.00 ATOM 805 C HIS 103 7.041 40.310 35.243 1.00 0.00 ATOM 806 N ILE 104 7.432 40.682 34.024 1.00 0.00 ATOM 807 CA ILE 104 8.750 41.282 33.787 1.00 0.00 ATOM 808 CB ILE 104 9.067 41.388 32.254 1.00 0.00 ATOM 809 CG1 ILE 104 10.577 41.334 32.012 1.00 0.00 ATOM 810 CG2 ILE 104 8.465 42.650 31.646 1.00 0.00 ATOM 811 CD1 ILE 104 10.980 41.117 30.567 1.00 0.00 ATOM 812 O ILE 104 10.042 43.042 34.800 1.00 0.00 ATOM 813 C ILE 104 8.918 42.640 34.503 1.00 0.00 ATOM 814 N TYR 105 7.815 43.326 34.808 1.00 0.00 ATOM 815 CA TYR 105 7.892 44.630 35.476 1.00 0.00 ATOM 816 CB TYR 105 6.634 45.484 35.187 1.00 0.00 ATOM 817 CG TYR 105 6.294 45.616 33.708 1.00 0.00 ATOM 818 CD1 TYR 105 7.220 46.121 32.803 1.00 0.00 ATOM 819 CD2 TYR 105 5.057 45.228 33.216 1.00 0.00 ATOM 820 CE1 TYR 105 6.919 46.233 31.442 1.00 0.00 ATOM 821 CE2 TYR 105 4.747 45.340 31.857 1.00 0.00 ATOM 822 CZ TYR 105 5.684 45.842 30.973 1.00 0.00 ATOM 823 OH TYR 105 5.394 45.956 29.623 1.00 0.00 ATOM 824 O TYR 105 7.304 43.849 37.682 1.00 0.00 ATOM 825 C TYR 105 8.116 44.471 36.991 1.00 0.00 ATOM 826 N LYS 106 9.222 45.039 37.485 1.00 0.00 ATOM 827 CA LYS 106 9.603 45.008 38.915 1.00 0.00 ATOM 828 CB LYS 106 10.671 46.079 39.231 1.00 0.00 ATOM 829 CG LYS 106 12.135 45.687 38.931 1.00 0.00 ATOM 830 CD LYS 106 13.117 46.891 39.131 1.00 0.00 ATOM 831 CE LYS 106 14.439 46.717 38.337 1.00 0.00 ATOM 832 NZ LYS 106 15.500 47.707 38.681 1.00 0.00 ATOM 833 O LYS 106 7.924 46.387 39.821 1.00 0.00 ATOM 834 C LYS 106 8.412 45.271 39.804 1.00 0.00 ATOM 835 N THR 112 15.471 43.680 45.013 1.00 0.00 ATOM 836 CA THR 112 14.683 42.671 44.309 1.00 0.00 ATOM 837 CB THR 112 13.173 43.090 44.194 1.00 0.00 ATOM 838 CG2 THR 112 12.569 43.360 45.592 1.00 0.00 ATOM 839 OG1 THR 112 13.032 44.264 43.372 1.00 0.00 ATOM 840 O THR 112 16.511 42.796 42.773 1.00 0.00 ATOM 841 C THR 112 15.367 42.418 42.949 1.00 0.00 ATOM 842 N MET 113 14.699 41.776 41.995 1.00 0.00 ATOM 843 CA MET 113 15.332 41.424 40.730 1.00 0.00 ATOM 844 CB MET 113 14.397 40.558 39.886 1.00 0.00 ATOM 845 CG MET 113 14.130 39.174 40.506 1.00 0.00 ATOM 846 SD MET 113 15.750 38.052 40.751 1.00 0.00 ATOM 847 CE MET 113 15.760 36.928 39.110 1.00 0.00 ATOM 848 O MET 113 15.409 43.767 40.188 1.00 0.00 ATOM 849 C MET 113 15.776 42.631 39.905 1.00 0.00 ATOM 850 N GLN 114 16.608 42.359 38.904 1.00 0.00 ATOM 851 CA GLN 114 17.012 43.326 37.886 1.00 0.00 ATOM 852 CB GLN 114 18.416 43.878 38.150 1.00 0.00 ATOM 853 CG GLN 114 19.048 44.681 36.973 1.00 0.00 ATOM 854 CD GLN 114 18.304 45.970 36.668 1.00 0.00 ATOM 855 OE1 GLN 114 18.224 46.852 37.512 1.00 0.00 ATOM 856 NE2 GLN 114 17.736 46.073 35.466 1.00 0.00 ATOM 857 O GLN 114 17.573 41.534 36.380 1.00 0.00 ATOM 858 C GLN 114 16.979 42.604 36.539 1.00 0.00 ATOM 859 N VAL 115 16.282 43.185 35.569 1.00 0.00 ATOM 860 CA VAL 115 16.246 42.624 34.227 1.00 0.00 ATOM 861 CB VAL 115 14.917 42.981 33.545 1.00 0.00 ATOM 862 CG1 VAL 115 14.852 42.394 32.146 1.00 0.00 ATOM 863 CG2 VAL 115 13.764 42.479 34.353 1.00 0.00 ATOM 864 O VAL 115 17.883 44.273 33.571 1.00 0.00 ATOM 865 C VAL 115 17.452 43.123 33.420 1.00 0.00 ATOM 866 N PHE 116 17.996 42.246 32.575 1.00 0.00 ATOM 867 CA PHE 116 19.031 42.603 31.600 1.00 0.00 ATOM 868 CB PHE 116 20.354 41.897 31.890 1.00 0.00 ATOM 869 CG PHE 116 21.061 42.412 33.100 1.00 0.00 ATOM 870 CD1 PHE 116 20.640 42.044 34.340 1.00 0.00 ATOM 871 CD2 PHE 116 22.187 43.271 32.964 1.00 0.00 ATOM 872 CE1 PHE 116 21.327 42.526 35.493 1.00 0.00 ATOM 873 CE2 PHE 116 22.858 43.767 34.069 1.00 0.00 ATOM 874 CZ PHE 116 22.434 43.410 35.341 1.00 0.00 ATOM 875 O PHE 116 17.792 41.220 30.153 1.00 0.00 ATOM 876 C PHE 116 18.591 42.133 30.251 1.00 0.00 ATOM 877 N GLN 117 19.171 42.737 29.234 1.00 0.00 ATOM 878 CA GLN 117 18.857 42.476 27.859 1.00 0.00 ATOM 879 CB GLN 117 18.116 43.685 27.336 1.00 0.00 ATOM 880 CG GLN 117 17.631 43.542 25.891 1.00 0.00 ATOM 881 CD GLN 117 17.200 44.843 25.325 1.00 0.00 ATOM 882 OE1 GLN 117 17.380 45.876 25.961 1.00 0.00 ATOM 883 NE2 GLN 117 16.635 44.825 24.099 1.00 0.00 ATOM 884 O GLN 117 20.945 43.215 26.939 1.00 0.00 ATOM 885 C GLN 117 20.115 42.315 26.995 1.00 0.00 ATOM 886 N ILE 118 20.218 41.221 26.258 1.00 0.00 ATOM 887 CA ILE 118 21.252 41.136 25.253 1.00 0.00 ATOM 888 CB ILE 118 21.618 39.697 24.818 1.00 0.00 ATOM 889 CG1 ILE 118 22.040 38.879 26.040 1.00 0.00 ATOM 890 CG2 ILE 118 22.704 39.751 23.698 1.00 0.00 ATOM 891 CD1 ILE 118 22.521 37.439 25.764 1.00 0.00 ATOM 892 O ILE 118 19.747 41.404 23.432 1.00 0.00 ATOM 893 C ILE 118 20.652 41.903 24.119 1.00 0.00 ATOM 894 N TYR 119 21.129 43.136 23.959 1.00 0.00 ATOM 895 CA TYR 119 20.555 44.098 23.024 1.00 0.00 ATOM 896 CB TYR 119 20.513 45.488 23.675 1.00 0.00 ATOM 897 CG TYR 119 21.866 46.114 23.893 1.00 0.00 ATOM 898 CD1 TYR 119 22.648 45.800 25.009 1.00 0.00 ATOM 899 CD2 TYR 119 22.370 47.025 22.970 1.00 0.00 ATOM 900 CE1 TYR 119 23.900 46.368 25.176 1.00 0.00 ATOM 901 CE2 TYR 119 23.611 47.588 23.137 1.00 0.00 ATOM 902 CZ TYR 119 24.358 47.257 24.226 1.00 0.00 ATOM 903 OH TYR 119 25.580 47.851 24.347 1.00 0.00 ATOM 904 O TYR 119 20.723 44.710 20.682 1.00 0.00 ATOM 905 C TYR 119 21.253 44.127 21.646 1.00 0.00 ATOM 906 N ALA 120 22.412 43.488 21.535 1.00 0.00 ATOM 907 CA ALA 120 23.184 43.515 20.294 1.00 0.00 ATOM 908 CB ALA 120 24.091 44.707 20.270 1.00 0.00 ATOM 909 O ALA 120 24.543 41.841 21.302 1.00 0.00 ATOM 910 C ALA 120 24.038 42.273 20.268 1.00 0.00 ATOM 911 N GLY 121 24.233 41.698 19.091 1.00 0.00 ATOM 912 CA GLY 121 25.037 40.495 18.994 1.00 0.00 ATOM 913 O GLY 121 24.203 40.271 16.792 1.00 0.00 ATOM 914 C GLY 121 24.827 39.759 17.711 1.00 0.00 ATOM 915 N HIS 122 25.378 38.561 17.646 1.00 0.00 ATOM 916 CA HIS 122 25.201 37.728 16.474 1.00 0.00 ATOM 917 CB HIS 122 26.375 37.845 15.479 1.00 0.00 ATOM 918 CG HIS 122 27.712 37.620 16.101 1.00 0.00 ATOM 919 CD2 HIS 122 28.512 36.524 16.128 1.00 0.00 ATOM 920 ND1 HIS 122 28.358 38.589 16.847 1.00 0.00 ATOM 921 CE1 HIS 122 29.503 38.101 17.300 1.00 0.00 ATOM 922 NE2 HIS 122 29.621 36.851 16.877 1.00 0.00 ATOM 923 O HIS 122 25.445 36.021 18.153 1.00 0.00 ATOM 924 C HIS 122 24.997 36.328 17.031 1.00 0.00 ATOM 925 N GLY 123 24.258 35.515 16.280 1.00 0.00 ATOM 926 CA GLY 123 23.926 34.193 16.760 1.00 0.00 ATOM 927 O GLY 123 23.956 33.425 14.463 1.00 0.00 ATOM 928 C GLY 123 23.908 33.141 15.688 1.00 0.00 ATOM 929 N PHE 124 23.820 31.914 16.188 1.00 0.00 ATOM 930 CA PHE 124 23.778 30.704 15.374 1.00 0.00 ATOM 931 CB PHE 124 25.137 30.030 15.500 1.00 0.00 ATOM 932 CG PHE 124 25.197 28.630 15.002 1.00 0.00 ATOM 933 CD1 PHE 124 25.306 28.364 13.628 1.00 0.00 ATOM 934 CD2 PHE 124 25.238 27.559 15.908 1.00 0.00 ATOM 935 CE1 PHE 124 25.399 27.030 13.144 1.00 0.00 ATOM 936 CE2 PHE 124 25.350 26.241 15.456 1.00 0.00 ATOM 937 CZ PHE 124 25.419 25.972 14.062 1.00 0.00 ATOM 938 O PHE 124 22.569 29.651 17.147 1.00 0.00 ATOM 939 C PHE 124 22.646 29.849 15.942 1.00 0.00 ATOM 940 N TYR 125 21.721 29.440 15.085 1.00 0.00 ATOM 941 CA TYR 125 20.665 28.487 15.447 1.00 0.00 ATOM 942 CB TYR 125 19.280 29.046 15.114 1.00 0.00 ATOM 943 CG TYR 125 18.210 27.985 15.003 1.00 0.00 ATOM 944 CD1 TYR 125 17.792 27.322 16.108 1.00 0.00 ATOM 945 CD2 TYR 125 17.638 27.648 13.794 1.00 0.00 ATOM 946 CE1 TYR 125 16.858 26.366 16.046 1.00 0.00 ATOM 947 CE2 TYR 125 16.666 26.647 13.719 1.00 0.00 ATOM 948 CZ TYR 125 16.292 26.007 14.871 1.00 0.00 ATOM 949 OH TYR 125 15.353 24.997 14.928 1.00 0.00 ATOM 950 O TYR 125 21.132 27.219 13.451 1.00 0.00 ATOM 951 C TYR 125 20.905 27.186 14.666 1.00 0.00 ATOM 952 N HIS 126 20.849 26.057 15.370 1.00 0.00 ATOM 953 CA HIS 126 21.142 24.765 14.784 1.00 0.00 ATOM 954 CB HIS 126 22.552 24.335 15.237 1.00 0.00 ATOM 955 CG HIS 126 23.135 23.226 14.415 1.00 0.00 ATOM 956 CD2 HIS 126 22.672 22.607 13.299 1.00 0.00 ATOM 957 ND1 HIS 126 24.319 22.593 14.748 1.00 0.00 ATOM 958 CE1 HIS 126 24.565 21.648 13.854 1.00 0.00 ATOM 959 NE2 HIS 126 23.574 21.627 12.977 1.00 0.00 ATOM 960 O HIS 126 20.013 23.432 16.418 1.00 0.00 ATOM 961 C HIS 126 20.116 23.724 15.221 1.00 0.00 ATOM 962 N SER 127 19.357 23.183 14.275 1.00 0.00 ATOM 963 CA SER 127 18.532 21.981 14.516 1.00 0.00 ATOM 964 CB SER 127 17.193 22.045 13.752 1.00 0.00 ATOM 965 OG SER 127 16.353 20.880 13.948 1.00 0.00 ATOM 966 O SER 127 19.407 20.444 12.892 1.00 0.00 ATOM 967 C SER 127 19.349 20.765 14.074 1.00 0.00 ATOM 968 N LEU 128 19.968 20.094 15.041 1.00 0.00 ATOM 969 CA LEU 128 20.956 19.058 14.764 1.00 0.00 ATOM 970 CB LEU 128 21.597 18.548 16.040 1.00 0.00 ATOM 971 CG LEU 128 22.706 19.430 16.603 1.00 0.00 ATOM 972 CD1 LEU 128 22.186 20.792 17.070 1.00 0.00 ATOM 973 CD2 LEU 128 23.383 18.685 17.738 1.00 0.00 ATOM 974 O LEU 128 21.015 17.351 13.136 1.00 0.00 ATOM 975 C LEU 128 20.367 17.901 14.036 1.00 0.00 ATOM 976 N THR 129 19.142 17.511 14.389 1.00 0.00 ATOM 977 CA THR 129 18.571 16.333 13.757 1.00 0.00 ATOM 978 CB THR 129 17.346 15.727 14.534 1.00 0.00 ATOM 979 CG2 THR 129 17.717 15.442 16.000 1.00 0.00 ATOM 980 OG1 THR 129 16.167 16.566 14.401 1.00 0.00 ATOM 981 O THR 129 17.997 15.651 11.556 1.00 0.00 ATOM 982 C THR 129 18.173 16.593 12.308 1.00 0.00 ATOM 983 N GLN 130 17.992 17.847 11.918 1.00 0.00 ATOM 984 CA GLN 130 17.562 18.146 10.541 1.00 0.00 ATOM 985 CB GLN 130 16.422 19.160 10.544 1.00 0.00 ATOM 986 CG GLN 130 15.173 18.762 11.317 1.00 0.00 ATOM 987 CD GLN 130 14.259 19.969 11.540 1.00 0.00 ATOM 988 OE1 GLN 130 14.622 20.920 12.255 1.00 0.00 ATOM 989 NE2 GLN 130 13.076 19.938 10.929 1.00 0.00 ATOM 990 O GLN 130 18.488 18.991 8.521 1.00 0.00 ATOM 991 C GLN 130 18.685 18.718 9.689 1.00 0.00 ATOM 992 N GLY 131 19.851 18.929 10.287 1.00 0.00 ATOM 993 CA GLY 131 20.970 19.531 9.588 1.00 0.00 ATOM 994 O GLY 131 21.147 21.312 8.003 1.00 0.00 ATOM 995 C GLY 131 20.684 20.938 9.081 1.00 0.00 ATOM 996 N HIS 132 19.914 21.719 9.833 1.00 0.00 ATOM 997 CA HIS 132 19.612 23.096 9.422 1.00 0.00 ATOM 998 CB HIS 132 18.123 23.390 9.495 1.00 0.00 ATOM 999 CG HIS 132 17.312 22.606 8.511 1.00 0.00 ATOM 1000 CD2 HIS 132 17.621 22.143 7.277 1.00 0.00 ATOM 1001 ND1 HIS 132 16.021 22.187 8.769 1.00 0.00 ATOM 1002 CE1 HIS 132 15.564 21.515 7.726 1.00 0.00 ATOM 1003 NE2 HIS 132 16.515 21.474 6.807 1.00 0.00 ATOM 1004 O HIS 132 20.242 23.941 11.534 1.00 0.00 ATOM 1005 C HIS 132 20.354 24.047 10.312 1.00 0.00 ATOM 1006 N LYS 133 21.132 24.947 9.696 1.00 0.00 ATOM 1007 CA LYS 133 21.966 25.934 10.424 1.00 0.00 ATOM 1008 CB LYS 133 23.455 25.757 10.153 1.00 0.00 ATOM 1009 CG LYS 133 24.184 24.576 10.781 1.00 0.00 ATOM 1010 CD LYS 133 25.488 24.287 9.960 1.00 0.00 ATOM 1011 CE LYS 133 26.523 23.367 10.638 1.00 0.00 ATOM 1012 NZ LYS 133 27.570 22.932 9.647 1.00 0.00 ATOM 1013 O LYS 133 21.454 27.514 8.722 1.00 0.00 ATOM 1014 C LYS 133 21.580 27.315 9.919 1.00 0.00 ATOM 1015 N TYR 134 21.370 28.243 10.840 1.00 0.00 ATOM 1016 CA TYR 134 21.080 29.613 10.485 1.00 0.00 ATOM 1017 CB TYR 134 19.623 29.973 10.819 1.00 0.00 ATOM 1018 CG TYR 134 18.609 29.174 10.053 1.00 0.00 ATOM 1019 CD1 TYR 134 18.302 27.881 10.418 1.00 0.00 ATOM 1020 CD2 TYR 134 17.968 29.707 8.962 1.00 0.00 ATOM 1021 CE1 TYR 134 17.384 27.115 9.682 1.00 0.00 ATOM 1022 CE2 TYR 134 17.039 28.958 8.230 1.00 0.00 ATOM 1023 CZ TYR 134 16.756 27.659 8.603 1.00 0.00 ATOM 1024 OH TYR 134 15.844 26.917 7.893 1.00 0.00 ATOM 1025 O TYR 134 22.243 30.279 12.498 1.00 0.00 ATOM 1026 C TYR 134 22.013 30.503 11.289 1.00 0.00 ATOM 1027 N ILE 135 22.528 31.539 10.651 1.00 0.00 ATOM 1028 CA ILE 135 23.214 32.582 11.420 1.00 0.00 ATOM 1029 CB ILE 135 24.709 32.813 10.920 1.00 0.00 ATOM 1030 CG1 ILE 135 24.789 33.199 9.447 1.00 0.00 ATOM 1031 CG2 ILE 135 25.562 31.561 11.083 1.00 0.00 ATOM 1032 CD1 ILE 135 26.220 33.444 9.006 1.00 0.00 ATOM 1033 O ILE 135 21.574 34.100 10.455 1.00 0.00 ATOM 1034 C ILE 135 22.323 33.848 11.417 1.00 0.00 ATOM 1035 N PHE 136 22.399 34.644 12.468 1.00 0.00 ATOM 1036 CA PHE 136 21.539 35.840 12.571 1.00 0.00 ATOM 1037 CB PHE 136 20.180 35.468 13.173 1.00 0.00 ATOM 1038 CG PHE 136 20.272 34.847 14.551 1.00 0.00 ATOM 1039 CD1 PHE 136 20.258 35.632 15.689 1.00 0.00 ATOM 1040 CD2 PHE 136 20.391 33.485 14.701 1.00 0.00 ATOM 1041 CE1 PHE 136 20.351 35.070 16.930 1.00 0.00 ATOM 1042 CE2 PHE 136 20.485 32.921 15.933 1.00 0.00 ATOM 1043 CZ PHE 136 20.456 33.704 17.055 1.00 0.00 ATOM 1044 O PHE 136 23.144 36.675 14.122 1.00 0.00 ATOM 1045 C PHE 136 22.180 36.930 13.425 1.00 0.00 ATOM 1046 N SER 137 21.656 38.142 13.367 1.00 0.00 ATOM 1047 CA SER 137 22.132 39.184 14.257 1.00 0.00 ATOM 1048 CB SER 137 22.744 40.333 13.471 1.00 0.00 ATOM 1049 OG SER 137 21.894 40.692 12.397 1.00 0.00 ATOM 1050 O SER 137 19.857 39.375 14.885 1.00 0.00 ATOM 1051 C SER 137 21.009 39.670 15.138 1.00 0.00 ATOM 1052 N ILE 138 21.364 40.349 16.220 1.00 0.00 ATOM 1053 CA ILE 138 20.390 41.074 17.021 1.00 0.00 ATOM 1054 CB ILE 138 20.384 40.624 18.445 1.00 0.00 ATOM 1055 CG1 ILE 138 20.187 39.089 18.527 1.00 0.00 ATOM 1056 CG2 ILE 138 19.310 41.422 19.153 1.00 0.00 ATOM 1057 CD1 ILE 138 20.837 38.419 19.756 1.00 0.00 ATOM 1058 O ILE 138 21.911 42.926 17.017 1.00 0.00 ATOM 1059 C ILE 138 20.726 42.560 17.042 1.00 0.00 ATOM 1060 N GLY 139 19.687 43.408 17.075 1.00 0.00 ATOM 1061 CA GLY 139 19.856 44.847 17.313 1.00 0.00 ATOM 1062 O GLY 139 19.521 45.900 15.207 1.00 0.00 ATOM 1063 C GLY 139 20.320 45.626 16.105 1.00 0.00 ATOM 1064 N GLU 145 17.696 40.022 9.855 1.00 0.00 ATOM 1065 CA GLU 145 18.992 39.655 9.287 1.00 0.00 ATOM 1066 CB GLU 145 20.057 40.673 9.737 1.00 0.00 ATOM 1067 CG GLU 145 21.489 40.379 9.241 1.00 0.00 ATOM 1068 O GLU 145 20.014 38.006 10.752 1.00 0.00 ATOM 1069 C GLU 145 19.341 38.211 9.727 1.00 0.00 ATOM 1070 N VAL 146 18.808 37.240 8.972 1.00 0.00 ATOM 1071 CA VAL 146 18.966 35.787 9.204 1.00 0.00 ATOM 1072 CB VAL 146 17.636 35.079 9.565 1.00 0.00 ATOM 1073 CG1 VAL 146 17.711 33.591 9.269 1.00 0.00 ATOM 1074 CG2 VAL 146 17.324 35.253 11.015 1.00 0.00 ATOM 1075 O VAL 146 18.975 35.526 6.847 1.00 0.00 ATOM 1076 C VAL 146 19.449 35.156 7.923 1.00 0.00 ATOM 1077 N ARG 147 20.383 34.219 8.018 1.00 0.00 ATOM 1078 CA ARG 147 20.925 33.563 6.825 1.00 0.00 ATOM 1079 CB ARG 147 22.315 34.132 6.524 1.00 0.00 ATOM 1080 CG ARG 147 22.948 33.658 5.225 1.00 0.00 ATOM 1081 CD ARG 147 24.369 34.289 4.992 1.00 0.00 ATOM 1082 NE ARG 147 25.275 33.256 4.473 1.00 0.00 ATOM 1083 CZ ARG 147 26.522 33.010 4.891 1.00 0.00 ATOM 1084 NH1 ARG 147 27.144 33.771 5.817 1.00 0.00 ATOM 1085 NH2 ARG 147 27.163 31.991 4.328 1.00 0.00 ATOM 1086 O ARG 147 21.551 31.565 8.002 1.00 0.00 ATOM 1087 C ARG 147 20.991 32.058 7.014 1.00 0.00 ATOM 1088 N ALA 148 20.398 31.331 6.076 1.00 0.00 ATOM 1089 CA ALA 148 20.458 29.877 6.090 1.00 0.00 ATOM 1090 CB ALA 148 19.351 29.278 5.281 1.00 0.00 ATOM 1091 O ALA 148 22.129 29.944 4.417 1.00 0.00 ATOM 1092 C ALA 148 21.792 29.510 5.505 1.00 0.00 ATOM 1093 N LEU 149 22.580 28.764 6.259 1.00 0.00 ATOM 1094 CA LEU 149 23.838 28.244 5.758 1.00 0.00 ATOM 1095 CB LEU 149 24.805 27.960 6.897 1.00 0.00 ATOM 1096 CG LEU 149 25.139 29.178 7.726 1.00 0.00 ATOM 1097 CD1 LEU 149 25.972 28.714 8.886 1.00 0.00 ATOM 1098 CD2 LEU 149 25.856 30.184 6.858 1.00 0.00 ATOM 1099 O LEU 149 24.498 26.465 4.333 1.00 0.00 ATOM 1100 C LEU 149 23.585 26.967 4.995 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file T0331.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0331)E70.C and (T0331)Y72.C only 0.000 apart, marking (T0331)Y72.C as missing WARNING: atoms too close: (T0331)G71.N and (T0331)L73.N only 0.000 apart, marking (T0331)G71.N as missing WARNING: atoms too close: (T0331)G71.CA and (T0331)L73.CA only 0.000 apart, marking (T0331)G71.CA as missing # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.964 # GDT_score = -50.360 # GDT_score(maxd=8.000,maxw=2.900)= -50.774 # GDT_score(maxd=8.000,maxw=3.200)= -49.220 # GDT_score(maxd=8.000,maxw=3.500)= -47.447 # GDT_score(maxd=10.000,maxw=3.800)= -49.586 # GDT_score(maxd=10.000,maxw=4.000)= -48.324 # GDT_score(maxd=10.000,maxw=4.200)= -47.074 # GDT_score(maxd=12.000,maxw=4.300)= -49.717 # GDT_score(maxd=12.000,maxw=4.500)= -48.456 # GDT_score(maxd=12.000,maxw=4.700)= -47.137 # GDT_score(maxd=14.000,maxw=5.200)= -46.599 # GDT_score(maxd=14.000,maxw=5.500)= -44.714 # command:# ReadConformPDB reading from PDB file T0331.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0331)E70.C and (T0331)Y72.C only 0.000 apart, marking (T0331)Y72.C as missing WARNING: atoms too close: (T0331)G71.N and (T0331)L73.N only 0.000 apart, marking (T0331)G71.N as missing WARNING: atoms too close: (T0331)G71.CA and (T0331)L73.CA only 0.000 apart, marking (T0331)G71.CA as missing # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.914 # GDT_score = -49.640 # GDT_score(maxd=8.000,maxw=2.900)= -48.911 # GDT_score(maxd=8.000,maxw=3.200)= -47.596 # GDT_score(maxd=8.000,maxw=3.500)= -46.108 # GDT_score(maxd=10.000,maxw=3.800)= -48.125 # GDT_score(maxd=10.000,maxw=4.000)= -47.036 # GDT_score(maxd=10.000,maxw=4.200)= -45.875 # GDT_score(maxd=12.000,maxw=4.300)= -48.325 # GDT_score(maxd=12.000,maxw=4.500)= -47.154 # GDT_score(maxd=12.000,maxw=4.700)= -45.957 # GDT_score(maxd=14.000,maxw=5.200)= -45.510 # GDT_score(maxd=14.000,maxw=5.500)= -43.740 # command:# ReadConformPDB reading from PDB file T0331.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0331)E70.C and (T0331)Y72.C only 0.000 apart, marking (T0331)Y72.C as missing WARNING: atoms too close: (T0331)G71.N and (T0331)L73.N only 0.000 apart, marking (T0331)G71.N as missing WARNING: atoms too close: (T0331)G71.CA and (T0331)L73.CA only 0.000 apart, marking (T0331)G71.CA as missing WARNING: atoms too close: (T0331)G131.C and (T0331)K133.C only 0.000 apart, marking (T0331)K133.C as missing WARNING: atoms too close: (T0331)H132.N and (T0331)Y134.N only 0.000 apart, marking (T0331)H132.N as missing WARNING: atoms too close: (T0331)H132.CA and (T0331)Y134.CA only 0.000 apart, marking (T0331)H132.CA as missing # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0331.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0331)A37.C and (T0331)N38.C only 0.000 apart, marking (T0331)N38.C as missing WARNING: atoms too close: (T0331)N38.N and (T0331)E39.N only 0.000 apart, marking (T0331)N38.N as missing WARNING: atoms too close: (T0331)N38.CA and (T0331)E39.CA only 0.000 apart, marking (T0331)N38.CA as missing WARNING: atoms too close: (T0331)N98.C and (T0331)Y100.C only 0.000 apart, marking (T0331)Y100.C as missing WARNING: atoms too close: (T0331)P99.N and (T0331)Y101.N only 0.000 apart, marking (T0331)P99.N as missing WARNING: atoms too close: (T0331)P99.CA and (T0331)Y101.CA only 0.000 apart, marking (T0331)P99.CA as missing WARNING: atoms too close: (T0331)T129.C and (T0331)Q140.C only 0.000 apart, marking (T0331)Q140.C as missing WARNING: atoms too close: (T0331)Q130.N and (T0331)G141.N only 0.000 apart, marking (T0331)Q130.N as missing WARNING: atoms too close: (T0331)Q130.CA and (T0331)G141.CA only 0.000 apart, marking (T0331)Q130.CA as missing # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0331.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0331)E70.C and (T0331)I74.C only 0.000 apart, marking (T0331)I74.C as missing WARNING: atoms too close: (T0331)G71.N and (T0331)Q75.N only 0.000 apart, marking (T0331)G71.N as missing WARNING: atoms too close: (T0331)G71.CA and (T0331)Q75.CA only 0.000 apart, marking (T0331)G71.CA as missing # WARNING: incomplete conformation T0331 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 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file T0331.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0331.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0331.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0331.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0331.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0331.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0331.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0331.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0331.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0331.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0331.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 141 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0331.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 141 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0331.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0331.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 141 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0331.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 141 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0331.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0331.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0331.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0331.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0331.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0331.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0331.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0331.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0331.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0331.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0331.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0331.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0331.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0331.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0331.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0331.try7-opt2-monomer.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0331.try8-opt2-monomer.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0331.try9-opt2-monomer.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera-try3-try1.pdb.gz looking for model 1 # Found a chain break before 141 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try1-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try1-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try1-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try1-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try1-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try1-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # naming current conformation dimer//try1-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try2-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try2-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try2-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try2-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try2-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try2-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation dimer//try2-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try3-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try3-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try3-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try3-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try3-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try3-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation dimer//try3-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try4-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try4-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try4-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try4-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try4-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try4-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation dimer//try4-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try5-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try5-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try5-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try5-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try5-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try5-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation dimer//try5-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try6-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try6-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try6-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try6-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try6-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try6-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation dimer//try6-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try7-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try7-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try7-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try7-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try7-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try7-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try7-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try7-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # naming current conformation dimer//try7-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try8-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try8-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try8-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try8-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try8-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try8-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try8-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try8-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation dimer//try8-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try9-opt1-scwrl.pdb.gz looking for chain 'A' model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt1-scwrl # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try9-opt1.pdb.gz looking for chain 'A' model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt1 # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try9-opt2.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try9-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try9-opt2.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try9-opt2.unpack.gromacs0.pdb.gz looking for chain 'A' model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.unpack.gromacs0 # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try9-opt2.unpack.gromacs0.repack-nonPC.pdb.gz looking for chain 'A' model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.unpack.gromacs0.repack-nonPC # ReadConformPDB reading from PDB file ../dimer/decoys/T0331.try9-opt2.unpack.pdb.gz looking for chain 'A' model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation dimer//try9-opt2.unpack # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-2fhqA-try2-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-2fhqA-try2-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-2fhqA-try5-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-2fhqA-try5-opt2 # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-2fhqA-try6-opt2.pdb.gz looking for chain 'A' model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation dimer//dimer-2fhqA-try6-opt2 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_957152410.pdb -s /var/tmp/to_scwrl_957152410.seq -o /var/tmp/from_scwrl_957152410.pdb > /var/tmp/scwrl_957152410.log sh: /var/tmp/scwrl_957152410.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_957152410.pdb or /var/tmp/from_scwrl_957152410.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_957152410_b.pdb or decoys//var/tmp/from_scwrl_957152410_b.pdb.gz for input Trying /var/tmp/from_scwrl_957152410_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_957152410_b.pdb or /var/tmp/from_scwrl_957152410_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_957152410_a.pdb or decoys//var/tmp/from_scwrl_957152410_a.pdb.gz for input Trying /var/tmp/from_scwrl_957152410_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_957152410_a.pdb or /var/tmp/from_scwrl_957152410_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_957152410.pdb or /var/tmp/from_scwrl_957152410_b.pdb or /var/tmp/from_scwrl_957152410_a.pdb Error: no new SCWRL conformation added # naming current conformation 3D-JIGSAW_POPULUS_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1874859661.pdb -s /var/tmp/to_scwrl_1874859661.seq -o /var/tmp/from_scwrl_1874859661.pdb > /var/tmp/scwrl_1874859661.log sh: /var/tmp/scwrl_1874859661.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1874859661.pdb or /var/tmp/from_scwrl_1874859661.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1874859661_b.pdb or decoys//var/tmp/from_scwrl_1874859661_b.pdb.gz for input Trying /var/tmp/from_scwrl_1874859661_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1874859661_b.pdb or /var/tmp/from_scwrl_1874859661_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1874859661_a.pdb or decoys//var/tmp/from_scwrl_1874859661_a.pdb.gz for input Trying /var/tmp/from_scwrl_1874859661_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1874859661_a.pdb or /var/tmp/from_scwrl_1874859661_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1874859661.pdb or /var/tmp/from_scwrl_1874859661_b.pdb or /var/tmp/from_scwrl_1874859661_a.pdb Error: no new SCWRL conformation added # naming current conformation 3D-JIGSAW_POPULUS_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1885082353.pdb -s /var/tmp/to_scwrl_1885082353.seq -o /var/tmp/from_scwrl_1885082353.pdb > /var/tmp/scwrl_1885082353.log sh: /var/tmp/scwrl_1885082353.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1885082353.pdb or /var/tmp/from_scwrl_1885082353.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1885082353_b.pdb or decoys//var/tmp/from_scwrl_1885082353_b.pdb.gz for input Trying /var/tmp/from_scwrl_1885082353_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1885082353_b.pdb or /var/tmp/from_scwrl_1885082353_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1885082353_a.pdb or decoys//var/tmp/from_scwrl_1885082353_a.pdb.gz for input Trying /var/tmp/from_scwrl_1885082353_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1885082353_a.pdb or /var/tmp/from_scwrl_1885082353_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1885082353.pdb or /var/tmp/from_scwrl_1885082353_b.pdb or /var/tmp/from_scwrl_1885082353_a.pdb Error: no new SCWRL conformation added # naming current conformation 3D-JIGSAW_POPULUS_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1406600313.pdb -s /var/tmp/to_scwrl_1406600313.seq -o /var/tmp/from_scwrl_1406600313.pdb > /var/tmp/scwrl_1406600313.log sh: /var/tmp/scwrl_1406600313.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1406600313.pdb or /var/tmp/from_scwrl_1406600313.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1406600313_b.pdb or decoys//var/tmp/from_scwrl_1406600313_b.pdb.gz for input Trying /var/tmp/from_scwrl_1406600313_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1406600313_b.pdb or /var/tmp/from_scwrl_1406600313_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1406600313_a.pdb or decoys//var/tmp/from_scwrl_1406600313_a.pdb.gz for input Trying /var/tmp/from_scwrl_1406600313_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1406600313_a.pdb or /var/tmp/from_scwrl_1406600313_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1406600313.pdb or /var/tmp/from_scwrl_1406600313_b.pdb or /var/tmp/from_scwrl_1406600313_a.pdb Error: no new SCWRL conformation added # naming current conformation 3D-JIGSAW_POPULUS_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS5.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_957278287.pdb -s /var/tmp/to_scwrl_957278287.seq -o /var/tmp/from_scwrl_957278287.pdb > /var/tmp/scwrl_957278287.log sh: /var/tmp/scwrl_957278287.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_957278287.pdb or /var/tmp/from_scwrl_957278287.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_957278287_b.pdb or decoys//var/tmp/from_scwrl_957278287_b.pdb.gz for input Trying /var/tmp/from_scwrl_957278287_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_957278287_b.pdb or /var/tmp/from_scwrl_957278287_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_957278287_a.pdb or decoys//var/tmp/from_scwrl_957278287_a.pdb.gz for input Trying /var/tmp/from_scwrl_957278287_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_957278287_a.pdb or /var/tmp/from_scwrl_957278287_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_957278287.pdb or /var/tmp/from_scwrl_957278287_b.pdb or /var/tmp/from_scwrl_957278287_a.pdb Error: no new SCWRL conformation added # naming current conformation 3D-JIGSAW_POPULUS_TS5-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_221532654.pdb -s /var/tmp/to_scwrl_221532654.seq -o /var/tmp/from_scwrl_221532654.pdb > /var/tmp/scwrl_221532654.log sh: /var/tmp/scwrl_221532654.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_221532654.pdb or /var/tmp/from_scwrl_221532654.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_221532654_b.pdb or decoys//var/tmp/from_scwrl_221532654_b.pdb.gz for input Trying /var/tmp/from_scwrl_221532654_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_221532654_b.pdb or /var/tmp/from_scwrl_221532654_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_221532654_a.pdb or decoys//var/tmp/from_scwrl_221532654_a.pdb.gz for input Trying /var/tmp/from_scwrl_221532654_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_221532654_a.pdb or /var/tmp/from_scwrl_221532654_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_221532654.pdb or /var/tmp/from_scwrl_221532654_b.pdb or /var/tmp/from_scwrl_221532654_a.pdb Error: no new SCWRL conformation added # naming current conformation 3D-JIGSAW_RECOM_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_937084893.pdb -s /var/tmp/to_scwrl_937084893.seq -o /var/tmp/from_scwrl_937084893.pdb > /var/tmp/scwrl_937084893.log sh: /var/tmp/scwrl_937084893.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_937084893.pdb or /var/tmp/from_scwrl_937084893.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_937084893_b.pdb or decoys//var/tmp/from_scwrl_937084893_b.pdb.gz for input Trying /var/tmp/from_scwrl_937084893_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_937084893_b.pdb or /var/tmp/from_scwrl_937084893_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_937084893_a.pdb or decoys//var/tmp/from_scwrl_937084893_a.pdb.gz for input Trying /var/tmp/from_scwrl_937084893_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_937084893_a.pdb or /var/tmp/from_scwrl_937084893_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_937084893.pdb or /var/tmp/from_scwrl_937084893_b.pdb or /var/tmp/from_scwrl_937084893_a.pdb Error: no new SCWRL conformation added # naming current conformation 3D-JIGSAW_RECOM_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1091364017.pdb -s /var/tmp/to_scwrl_1091364017.seq -o /var/tmp/from_scwrl_1091364017.pdb > /var/tmp/scwrl_1091364017.log sh: /var/tmp/scwrl_1091364017.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1091364017.pdb or /var/tmp/from_scwrl_1091364017.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1091364017_b.pdb or decoys//var/tmp/from_scwrl_1091364017_b.pdb.gz for input Trying /var/tmp/from_scwrl_1091364017_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1091364017_b.pdb or /var/tmp/from_scwrl_1091364017_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1091364017_a.pdb or decoys//var/tmp/from_scwrl_1091364017_a.pdb.gz for input Trying /var/tmp/from_scwrl_1091364017_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1091364017_a.pdb or /var/tmp/from_scwrl_1091364017_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1091364017.pdb or /var/tmp/from_scwrl_1091364017_b.pdb or /var/tmp/from_scwrl_1091364017_a.pdb Error: no new SCWRL conformation added # naming current conformation 3D-JIGSAW_RECOM_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_690569399.pdb -s /var/tmp/to_scwrl_690569399.seq -o /var/tmp/from_scwrl_690569399.pdb > /var/tmp/scwrl_690569399.log sh: /var/tmp/scwrl_690569399.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_690569399.pdb or /var/tmp/from_scwrl_690569399.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_690569399_b.pdb or decoys//var/tmp/from_scwrl_690569399_b.pdb.gz for input Trying /var/tmp/from_scwrl_690569399_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_690569399_b.pdb or /var/tmp/from_scwrl_690569399_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_690569399_a.pdb or decoys//var/tmp/from_scwrl_690569399_a.pdb.gz for input Trying /var/tmp/from_scwrl_690569399_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_690569399_a.pdb or /var/tmp/from_scwrl_690569399_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_690569399.pdb or /var/tmp/from_scwrl_690569399_b.pdb or /var/tmp/from_scwrl_690569399_a.pdb Error: no new SCWRL conformation added # naming current conformation 3D-JIGSAW_RECOM_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_34615176.pdb -s /var/tmp/to_scwrl_34615176.seq -o /var/tmp/from_scwrl_34615176.pdb > /var/tmp/scwrl_34615176.log sh: /var/tmp/scwrl_34615176.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_34615176.pdb or /var/tmp/from_scwrl_34615176.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_34615176_b.pdb or decoys//var/tmp/from_scwrl_34615176_b.pdb.gz for input Trying /var/tmp/from_scwrl_34615176_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_34615176_b.pdb or /var/tmp/from_scwrl_34615176_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_34615176_a.pdb or decoys//var/tmp/from_scwrl_34615176_a.pdb.gz for input Trying /var/tmp/from_scwrl_34615176_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_34615176_a.pdb or /var/tmp/from_scwrl_34615176_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_34615176.pdb or /var/tmp/from_scwrl_34615176_b.pdb or /var/tmp/from_scwrl_34615176_a.pdb Error: no new SCWRL conformation added # naming current conformation 3D-JIGSAW_RECOM_TS5-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1615208669.pdb -s /var/tmp/to_scwrl_1615208669.seq -o /var/tmp/from_scwrl_1615208669.pdb > /var/tmp/scwrl_1615208669.log sh: /var/tmp/scwrl_1615208669.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1615208669.pdb or /var/tmp/from_scwrl_1615208669.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1615208669_b.pdb or decoys//var/tmp/from_scwrl_1615208669_b.pdb.gz for input Trying /var/tmp/from_scwrl_1615208669_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1615208669_b.pdb or /var/tmp/from_scwrl_1615208669_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1615208669_a.pdb or decoys//var/tmp/from_scwrl_1615208669_a.pdb.gz for input Trying /var/tmp/from_scwrl_1615208669_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1615208669_a.pdb or /var/tmp/from_scwrl_1615208669_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1615208669.pdb or /var/tmp/from_scwrl_1615208669_b.pdb or /var/tmp/from_scwrl_1615208669_a.pdb Error: no new SCWRL conformation added # naming current conformation 3D-JIGSAW_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS2.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1944557435.pdb -s /var/tmp/to_scwrl_1944557435.seq -o /var/tmp/from_scwrl_1944557435.pdb > /var/tmp/scwrl_1944557435.log sh: /var/tmp/scwrl_1944557435.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1944557435.pdb or /var/tmp/from_scwrl_1944557435.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1944557435_b.pdb or decoys//var/tmp/from_scwrl_1944557435_b.pdb.gz for input Trying /var/tmp/from_scwrl_1944557435_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1944557435_b.pdb or /var/tmp/from_scwrl_1944557435_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1944557435_a.pdb or decoys//var/tmp/from_scwrl_1944557435_a.pdb.gz for input Trying /var/tmp/from_scwrl_1944557435_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1944557435_a.pdb or /var/tmp/from_scwrl_1944557435_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1944557435.pdb or /var/tmp/from_scwrl_1944557435_b.pdb or /var/tmp/from_scwrl_1944557435_a.pdb Error: no new SCWRL conformation added # naming current conformation 3D-JIGSAW_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS3.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_24002605.pdb -s /var/tmp/to_scwrl_24002605.seq -o /var/tmp/from_scwrl_24002605.pdb > /var/tmp/scwrl_24002605.log sh: /var/tmp/scwrl_24002605.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_24002605.pdb or /var/tmp/from_scwrl_24002605.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_24002605_b.pdb or decoys//var/tmp/from_scwrl_24002605_b.pdb.gz for input Trying /var/tmp/from_scwrl_24002605_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_24002605_b.pdb or /var/tmp/from_scwrl_24002605_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_24002605_a.pdb or decoys//var/tmp/from_scwrl_24002605_a.pdb.gz for input Trying /var/tmp/from_scwrl_24002605_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_24002605_a.pdb or /var/tmp/from_scwrl_24002605_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_24002605.pdb or /var/tmp/from_scwrl_24002605_b.pdb or /var/tmp/from_scwrl_24002605_a.pdb Error: no new SCWRL conformation added # naming current conformation 3D-JIGSAW_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS4.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_61513947.pdb -s /var/tmp/to_scwrl_61513947.seq -o /var/tmp/from_scwrl_61513947.pdb > /var/tmp/scwrl_61513947.log sh: /var/tmp/scwrl_61513947.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_61513947.pdb or /var/tmp/from_scwrl_61513947.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_61513947_b.pdb or decoys//var/tmp/from_scwrl_61513947_b.pdb.gz for input Trying /var/tmp/from_scwrl_61513947_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_61513947_b.pdb or /var/tmp/from_scwrl_61513947_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_61513947_a.pdb or decoys//var/tmp/from_scwrl_61513947_a.pdb.gz for input Trying /var/tmp/from_scwrl_61513947_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_61513947_a.pdb or /var/tmp/from_scwrl_61513947_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_61513947.pdb or /var/tmp/from_scwrl_61513947_b.pdb or /var/tmp/from_scwrl_61513947_a.pdb Error: no new SCWRL conformation added # naming current conformation 3D-JIGSAW_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS5.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1569582763.pdb -s /var/tmp/to_scwrl_1569582763.seq -o /var/tmp/from_scwrl_1569582763.pdb > /var/tmp/scwrl_1569582763.log sh: /var/tmp/scwrl_1569582763.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1569582763.pdb or /var/tmp/from_scwrl_1569582763.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1569582763_b.pdb or decoys//var/tmp/from_scwrl_1569582763_b.pdb.gz for input Trying /var/tmp/from_scwrl_1569582763_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1569582763_b.pdb or /var/tmp/from_scwrl_1569582763_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1569582763_a.pdb or decoys//var/tmp/from_scwrl_1569582763_a.pdb.gz for input Trying /var/tmp/from_scwrl_1569582763_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1569582763_a.pdb or /var/tmp/from_scwrl_1569582763_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1569582763.pdb or /var/tmp/from_scwrl_1569582763_b.pdb or /var/tmp/from_scwrl_1569582763_a.pdb Error: no new SCWRL conformation added # naming current conformation 3D-JIGSAW_TS5-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # Found a chain break before 4 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1654057165.pdb -s /var/tmp/to_scwrl_1654057165.seq -o /var/tmp/from_scwrl_1654057165.pdb > /var/tmp/scwrl_1654057165.log sh: /var/tmp/scwrl_1654057165.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1654057165.pdb or /var/tmp/from_scwrl_1654057165.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1654057165_b.pdb or decoys//var/tmp/from_scwrl_1654057165_b.pdb.gz for input Trying /var/tmp/from_scwrl_1654057165_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1654057165_b.pdb or /var/tmp/from_scwrl_1654057165_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1654057165_a.pdb or decoys//var/tmp/from_scwrl_1654057165_a.pdb.gz for input Trying /var/tmp/from_scwrl_1654057165_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1654057165_a.pdb or /var/tmp/from_scwrl_1654057165_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1654057165.pdb or /var/tmp/from_scwrl_1654057165_b.pdb or /var/tmp/from_scwrl_1654057165_a.pdb Error: no new SCWRL conformation added # naming current conformation 3Dpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS2.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1409909766.pdb -s /var/tmp/to_scwrl_1409909766.seq -o /var/tmp/from_scwrl_1409909766.pdb > /var/tmp/scwrl_1409909766.log sh: /var/tmp/scwrl_1409909766.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1409909766.pdb or /var/tmp/from_scwrl_1409909766.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1409909766_b.pdb or decoys//var/tmp/from_scwrl_1409909766_b.pdb.gz for input Trying /var/tmp/from_scwrl_1409909766_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1409909766_b.pdb or /var/tmp/from_scwrl_1409909766_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1409909766_a.pdb or decoys//var/tmp/from_scwrl_1409909766_a.pdb.gz for input Trying /var/tmp/from_scwrl_1409909766_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1409909766_a.pdb or /var/tmp/from_scwrl_1409909766_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1409909766.pdb or /var/tmp/from_scwrl_1409909766_b.pdb or /var/tmp/from_scwrl_1409909766_a.pdb Error: no new SCWRL conformation added # naming current conformation 3Dpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS3.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1934339377.pdb -s /var/tmp/to_scwrl_1934339377.seq -o /var/tmp/from_scwrl_1934339377.pdb > /var/tmp/scwrl_1934339377.log sh: /var/tmp/scwrl_1934339377.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1934339377.pdb or /var/tmp/from_scwrl_1934339377.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1934339377_b.pdb or decoys//var/tmp/from_scwrl_1934339377_b.pdb.gz for input Trying /var/tmp/from_scwrl_1934339377_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1934339377_b.pdb or /var/tmp/from_scwrl_1934339377_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1934339377_a.pdb or decoys//var/tmp/from_scwrl_1934339377_a.pdb.gz for input Trying /var/tmp/from_scwrl_1934339377_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1934339377_a.pdb or /var/tmp/from_scwrl_1934339377_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1934339377.pdb or /var/tmp/from_scwrl_1934339377_b.pdb or /var/tmp/from_scwrl_1934339377_a.pdb Error: no new SCWRL conformation added # naming current conformation 3Dpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS4.pdb.gz looking for model 1 # Found a chain break before 80 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_727230287.pdb -s /var/tmp/to_scwrl_727230287.seq -o /var/tmp/from_scwrl_727230287.pdb > /var/tmp/scwrl_727230287.log sh: /var/tmp/scwrl_727230287.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_727230287.pdb or /var/tmp/from_scwrl_727230287.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_727230287_b.pdb or decoys//var/tmp/from_scwrl_727230287_b.pdb.gz for input Trying /var/tmp/from_scwrl_727230287_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_727230287_b.pdb or /var/tmp/from_scwrl_727230287_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_727230287_a.pdb or decoys//var/tmp/from_scwrl_727230287_a.pdb.gz for input Trying /var/tmp/from_scwrl_727230287_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_727230287_a.pdb or /var/tmp/from_scwrl_727230287_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_727230287.pdb or /var/tmp/from_scwrl_727230287_b.pdb or /var/tmp/from_scwrl_727230287_a.pdb Error: no new SCWRL conformation added # naming current conformation 3Dpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS5.pdb.gz looking for model 1 # Found a chain break before 70 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1441176906.pdb -s /var/tmp/to_scwrl_1441176906.seq -o /var/tmp/from_scwrl_1441176906.pdb > /var/tmp/scwrl_1441176906.log sh: /var/tmp/scwrl_1441176906.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1441176906.pdb or /var/tmp/from_scwrl_1441176906.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1441176906_b.pdb or decoys//var/tmp/from_scwrl_1441176906_b.pdb.gz for input Trying /var/tmp/from_scwrl_1441176906_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1441176906_b.pdb or /var/tmp/from_scwrl_1441176906_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1441176906_a.pdb or decoys//var/tmp/from_scwrl_1441176906_a.pdb.gz for input Trying /var/tmp/from_scwrl_1441176906_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1441176906_a.pdb or /var/tmp/from_scwrl_1441176906_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1441176906.pdb or /var/tmp/from_scwrl_1441176906_b.pdb or /var/tmp/from_scwrl_1441176906_a.pdb Error: no new SCWRL conformation added # naming current conformation 3Dpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS1.pdb.gz looking for model 1 # Found a chain break before 125 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1307047869.pdb -s /var/tmp/to_scwrl_1307047869.seq -o /var/tmp/from_scwrl_1307047869.pdb > /var/tmp/scwrl_1307047869.log sh: /var/tmp/scwrl_1307047869.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1307047869.pdb or /var/tmp/from_scwrl_1307047869.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1307047869_b.pdb or decoys//var/tmp/from_scwrl_1307047869_b.pdb.gz for input Trying /var/tmp/from_scwrl_1307047869_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1307047869_b.pdb or /var/tmp/from_scwrl_1307047869_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1307047869_a.pdb or decoys//var/tmp/from_scwrl_1307047869_a.pdb.gz for input Trying /var/tmp/from_scwrl_1307047869_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1307047869_a.pdb or /var/tmp/from_scwrl_1307047869_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1307047869.pdb or /var/tmp/from_scwrl_1307047869_b.pdb or /var/tmp/from_scwrl_1307047869_a.pdb Error: no new SCWRL conformation added # naming current conformation ABIpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS2.pdb.gz looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_299274987.pdb -s /var/tmp/to_scwrl_299274987.seq -o /var/tmp/from_scwrl_299274987.pdb > /var/tmp/scwrl_299274987.log sh: /var/tmp/scwrl_299274987.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_299274987.pdb or /var/tmp/from_scwrl_299274987.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_299274987_b.pdb or decoys//var/tmp/from_scwrl_299274987_b.pdb.gz for input Trying /var/tmp/from_scwrl_299274987_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_299274987_b.pdb or /var/tmp/from_scwrl_299274987_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_299274987_a.pdb or decoys//var/tmp/from_scwrl_299274987_a.pdb.gz for input Trying /var/tmp/from_scwrl_299274987_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_299274987_a.pdb or /var/tmp/from_scwrl_299274987_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_299274987.pdb or /var/tmp/from_scwrl_299274987_b.pdb or /var/tmp/from_scwrl_299274987_a.pdb Error: no new SCWRL conformation added # naming current conformation ABIpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS3.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1174477550.pdb -s /var/tmp/to_scwrl_1174477550.seq -o /var/tmp/from_scwrl_1174477550.pdb > /var/tmp/scwrl_1174477550.log sh: /var/tmp/scwrl_1174477550.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1174477550.pdb or /var/tmp/from_scwrl_1174477550.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1174477550_b.pdb or decoys//var/tmp/from_scwrl_1174477550_b.pdb.gz for input Trying /var/tmp/from_scwrl_1174477550_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1174477550_b.pdb or /var/tmp/from_scwrl_1174477550_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1174477550_a.pdb or decoys//var/tmp/from_scwrl_1174477550_a.pdb.gz for input Trying /var/tmp/from_scwrl_1174477550_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1174477550_a.pdb or /var/tmp/from_scwrl_1174477550_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1174477550.pdb or /var/tmp/from_scwrl_1174477550_b.pdb or /var/tmp/from_scwrl_1174477550_a.pdb Error: no new SCWRL conformation added # naming current conformation ABIpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS4.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1225173892.pdb -s /var/tmp/to_scwrl_1225173892.seq -o /var/tmp/from_scwrl_1225173892.pdb > /var/tmp/scwrl_1225173892.log sh: /var/tmp/scwrl_1225173892.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1225173892.pdb or /var/tmp/from_scwrl_1225173892.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1225173892_b.pdb or decoys//var/tmp/from_scwrl_1225173892_b.pdb.gz for input Trying /var/tmp/from_scwrl_1225173892_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1225173892_b.pdb or /var/tmp/from_scwrl_1225173892_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1225173892_a.pdb or decoys//var/tmp/from_scwrl_1225173892_a.pdb.gz for input Trying /var/tmp/from_scwrl_1225173892_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1225173892_a.pdb or /var/tmp/from_scwrl_1225173892_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1225173892.pdb or /var/tmp/from_scwrl_1225173892_b.pdb or /var/tmp/from_scwrl_1225173892_a.pdb Error: no new SCWRL conformation added # naming current conformation ABIpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS5.pdb.gz looking for model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1769902607.pdb -s /var/tmp/to_scwrl_1769902607.seq -o /var/tmp/from_scwrl_1769902607.pdb > /var/tmp/scwrl_1769902607.log sh: /var/tmp/scwrl_1769902607.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1769902607.pdb or /var/tmp/from_scwrl_1769902607.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1769902607_b.pdb or decoys//var/tmp/from_scwrl_1769902607_b.pdb.gz for input Trying /var/tmp/from_scwrl_1769902607_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1769902607_b.pdb or /var/tmp/from_scwrl_1769902607_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1769902607_a.pdb or decoys//var/tmp/from_scwrl_1769902607_a.pdb.gz for input Trying /var/tmp/from_scwrl_1769902607_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1769902607_a.pdb or /var/tmp/from_scwrl_1769902607_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1769902607.pdb or /var/tmp/from_scwrl_1769902607_b.pdb or /var/tmp/from_scwrl_1769902607_a.pdb Error: no new SCWRL conformation added # naming current conformation ABIpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/BayesHH_TS1.pdb.gz looking for model 1 # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_862714737.pdb -s /var/tmp/to_scwrl_862714737.seq -o /var/tmp/from_scwrl_862714737.pdb > /var/tmp/scwrl_862714737.log sh: /var/tmp/scwrl_862714737.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_862714737.pdb or /var/tmp/from_scwrl_862714737.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_862714737_b.pdb or decoys//var/tmp/from_scwrl_862714737_b.pdb.gz for input Trying /var/tmp/from_scwrl_862714737_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_862714737_b.pdb or /var/tmp/from_scwrl_862714737_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_862714737_a.pdb or decoys//var/tmp/from_scwrl_862714737_a.pdb.gz for input Trying /var/tmp/from_scwrl_862714737_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_862714737_a.pdb or /var/tmp/from_scwrl_862714737_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_862714737.pdb or /var/tmp/from_scwrl_862714737_b.pdb or /var/tmp/from_scwrl_862714737_a.pdb Error: no new SCWRL conformation added # naming current conformation BayesHH_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS1.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_910350153.pdb -s /var/tmp/to_scwrl_910350153.seq -o /var/tmp/from_scwrl_910350153.pdb > /var/tmp/scwrl_910350153.log sh: /var/tmp/scwrl_910350153.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_910350153.pdb or /var/tmp/from_scwrl_910350153.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_910350153_b.pdb or decoys//var/tmp/from_scwrl_910350153_b.pdb.gz for input Trying /var/tmp/from_scwrl_910350153_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_910350153_b.pdb or /var/tmp/from_scwrl_910350153_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_910350153_a.pdb or decoys//var/tmp/from_scwrl_910350153_a.pdb.gz for input Trying /var/tmp/from_scwrl_910350153_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_910350153_a.pdb or /var/tmp/from_scwrl_910350153_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_910350153.pdb or /var/tmp/from_scwrl_910350153_b.pdb or /var/tmp/from_scwrl_910350153_a.pdb Error: no new SCWRL conformation added # naming current conformation Bilab-ENABLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS2.pdb.gz looking for model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1810446593.pdb -s /var/tmp/to_scwrl_1810446593.seq -o /var/tmp/from_scwrl_1810446593.pdb > /var/tmp/scwrl_1810446593.log sh: /var/tmp/scwrl_1810446593.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1810446593.pdb or /var/tmp/from_scwrl_1810446593.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1810446593_b.pdb or decoys//var/tmp/from_scwrl_1810446593_b.pdb.gz for input Trying /var/tmp/from_scwrl_1810446593_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1810446593_b.pdb or /var/tmp/from_scwrl_1810446593_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1810446593_a.pdb or decoys//var/tmp/from_scwrl_1810446593_a.pdb.gz for input Trying /var/tmp/from_scwrl_1810446593_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1810446593_a.pdb or /var/tmp/from_scwrl_1810446593_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1810446593.pdb or /var/tmp/from_scwrl_1810446593_b.pdb or /var/tmp/from_scwrl_1810446593_a.pdb Error: no new SCWRL conformation added # naming current conformation Bilab-ENABLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS3.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1906233677.pdb -s /var/tmp/to_scwrl_1906233677.seq -o /var/tmp/from_scwrl_1906233677.pdb > /var/tmp/scwrl_1906233677.log sh: /var/tmp/scwrl_1906233677.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1906233677.pdb or /var/tmp/from_scwrl_1906233677.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1906233677_b.pdb or decoys//var/tmp/from_scwrl_1906233677_b.pdb.gz for input Trying /var/tmp/from_scwrl_1906233677_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1906233677_b.pdb or /var/tmp/from_scwrl_1906233677_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1906233677_a.pdb or decoys//var/tmp/from_scwrl_1906233677_a.pdb.gz for input Trying /var/tmp/from_scwrl_1906233677_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1906233677_a.pdb or /var/tmp/from_scwrl_1906233677_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1906233677.pdb or /var/tmp/from_scwrl_1906233677_b.pdb or /var/tmp/from_scwrl_1906233677_a.pdb Error: no new SCWRL conformation added # naming current conformation Bilab-ENABLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS4.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_243428482.pdb -s /var/tmp/to_scwrl_243428482.seq -o /var/tmp/from_scwrl_243428482.pdb > /var/tmp/scwrl_243428482.log sh: /var/tmp/scwrl_243428482.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_243428482.pdb or /var/tmp/from_scwrl_243428482.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_243428482_b.pdb or decoys//var/tmp/from_scwrl_243428482_b.pdb.gz for input Trying /var/tmp/from_scwrl_243428482_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_243428482_b.pdb or /var/tmp/from_scwrl_243428482_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_243428482_a.pdb or decoys//var/tmp/from_scwrl_243428482_a.pdb.gz for input Trying /var/tmp/from_scwrl_243428482_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_243428482_a.pdb or /var/tmp/from_scwrl_243428482_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_243428482.pdb or /var/tmp/from_scwrl_243428482_b.pdb or /var/tmp/from_scwrl_243428482_a.pdb Error: no new SCWRL conformation added # naming current conformation Bilab-ENABLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS5.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1981019560.pdb -s /var/tmp/to_scwrl_1981019560.seq -o /var/tmp/from_scwrl_1981019560.pdb > /var/tmp/scwrl_1981019560.log sh: /var/tmp/scwrl_1981019560.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1981019560.pdb or /var/tmp/from_scwrl_1981019560.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1981019560_b.pdb or decoys//var/tmp/from_scwrl_1981019560_b.pdb.gz for input Trying /var/tmp/from_scwrl_1981019560_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1981019560_b.pdb or /var/tmp/from_scwrl_1981019560_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1981019560_a.pdb or decoys//var/tmp/from_scwrl_1981019560_a.pdb.gz for input Trying /var/tmp/from_scwrl_1981019560_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1981019560_a.pdb or /var/tmp/from_scwrl_1981019560_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1981019560.pdb or /var/tmp/from_scwrl_1981019560_b.pdb or /var/tmp/from_scwrl_1981019560_a.pdb Error: no new SCWRL conformation added # naming current conformation Bilab-ENABLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_715902440.pdb -s /var/tmp/to_scwrl_715902440.seq -o /var/tmp/from_scwrl_715902440.pdb > /var/tmp/scwrl_715902440.log sh: /var/tmp/scwrl_715902440.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_715902440.pdb or /var/tmp/from_scwrl_715902440.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_715902440_b.pdb or decoys//var/tmp/from_scwrl_715902440_b.pdb.gz for input Trying /var/tmp/from_scwrl_715902440_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_715902440_b.pdb or /var/tmp/from_scwrl_715902440_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_715902440_a.pdb or decoys//var/tmp/from_scwrl_715902440_a.pdb.gz for input Trying /var/tmp/from_scwrl_715902440_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_715902440_a.pdb or /var/tmp/from_scwrl_715902440_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_715902440.pdb or /var/tmp/from_scwrl_715902440_b.pdb or /var/tmp/from_scwrl_715902440_a.pdb Error: no new SCWRL conformation added # naming current conformation CIRCLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_2118288144.pdb -s /var/tmp/to_scwrl_2118288144.seq -o /var/tmp/from_scwrl_2118288144.pdb > /var/tmp/scwrl_2118288144.log sh: /var/tmp/scwrl_2118288144.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2118288144.pdb or /var/tmp/from_scwrl_2118288144.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2118288144_b.pdb or decoys//var/tmp/from_scwrl_2118288144_b.pdb.gz for input Trying /var/tmp/from_scwrl_2118288144_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2118288144_b.pdb or /var/tmp/from_scwrl_2118288144_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2118288144_a.pdb or decoys//var/tmp/from_scwrl_2118288144_a.pdb.gz for input Trying /var/tmp/from_scwrl_2118288144_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2118288144_a.pdb or /var/tmp/from_scwrl_2118288144_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2118288144.pdb or /var/tmp/from_scwrl_2118288144_b.pdb or /var/tmp/from_scwrl_2118288144_a.pdb Error: no new SCWRL conformation added # naming current conformation CIRCLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1718618266.pdb -s /var/tmp/to_scwrl_1718618266.seq -o /var/tmp/from_scwrl_1718618266.pdb > /var/tmp/scwrl_1718618266.log sh: /var/tmp/scwrl_1718618266.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1718618266.pdb or /var/tmp/from_scwrl_1718618266.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1718618266_b.pdb or decoys//var/tmp/from_scwrl_1718618266_b.pdb.gz for input Trying /var/tmp/from_scwrl_1718618266_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1718618266_b.pdb or /var/tmp/from_scwrl_1718618266_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1718618266_a.pdb or decoys//var/tmp/from_scwrl_1718618266_a.pdb.gz for input Trying /var/tmp/from_scwrl_1718618266_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1718618266_a.pdb or /var/tmp/from_scwrl_1718618266_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1718618266.pdb or /var/tmp/from_scwrl_1718618266_b.pdb or /var/tmp/from_scwrl_1718618266_a.pdb Error: no new SCWRL conformation added # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_2122502753.pdb -s /var/tmp/to_scwrl_2122502753.seq -o /var/tmp/from_scwrl_2122502753.pdb > /var/tmp/scwrl_2122502753.log sh: /var/tmp/scwrl_2122502753.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2122502753.pdb or /var/tmp/from_scwrl_2122502753.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2122502753_b.pdb or decoys//var/tmp/from_scwrl_2122502753_b.pdb.gz for input Trying /var/tmp/from_scwrl_2122502753_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2122502753_b.pdb or /var/tmp/from_scwrl_2122502753_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2122502753_a.pdb or decoys//var/tmp/from_scwrl_2122502753_a.pdb.gz for input Trying /var/tmp/from_scwrl_2122502753_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2122502753_a.pdb or /var/tmp/from_scwrl_2122502753_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2122502753.pdb or /var/tmp/from_scwrl_2122502753_b.pdb or /var/tmp/from_scwrl_2122502753_a.pdb Error: no new SCWRL conformation added # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_928082784.pdb -s /var/tmp/to_scwrl_928082784.seq -o /var/tmp/from_scwrl_928082784.pdb > /var/tmp/scwrl_928082784.log sh: /var/tmp/scwrl_928082784.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_928082784.pdb or /var/tmp/from_scwrl_928082784.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_928082784_b.pdb or decoys//var/tmp/from_scwrl_928082784_b.pdb.gz for input Trying /var/tmp/from_scwrl_928082784_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_928082784_b.pdb or /var/tmp/from_scwrl_928082784_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_928082784_a.pdb or decoys//var/tmp/from_scwrl_928082784_a.pdb.gz for input Trying /var/tmp/from_scwrl_928082784_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_928082784_a.pdb or /var/tmp/from_scwrl_928082784_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_928082784.pdb or /var/tmp/from_scwrl_928082784_b.pdb or /var/tmp/from_scwrl_928082784_a.pdb Error: no new SCWRL conformation added # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1940150920.pdb -s /var/tmp/to_scwrl_1940150920.seq -o /var/tmp/from_scwrl_1940150920.pdb > /var/tmp/scwrl_1940150920.log sh: /var/tmp/scwrl_1940150920.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1940150920.pdb or /var/tmp/from_scwrl_1940150920.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1940150920_b.pdb or decoys//var/tmp/from_scwrl_1940150920_b.pdb.gz for input Trying /var/tmp/from_scwrl_1940150920_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1940150920_b.pdb or /var/tmp/from_scwrl_1940150920_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1940150920_a.pdb or decoys//var/tmp/from_scwrl_1940150920_a.pdb.gz for input Trying /var/tmp/from_scwrl_1940150920_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1940150920_a.pdb or /var/tmp/from_scwrl_1940150920_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1940150920.pdb or /var/tmp/from_scwrl_1940150920_b.pdb or /var/tmp/from_scwrl_1940150920_a.pdb Error: no new SCWRL conformation added # naming current conformation CaspIta-FOX_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_912104000.pdb -s /var/tmp/to_scwrl_912104000.seq -o /var/tmp/from_scwrl_912104000.pdb > /var/tmp/scwrl_912104000.log sh: /var/tmp/scwrl_912104000.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_912104000.pdb or /var/tmp/from_scwrl_912104000.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_912104000_b.pdb or decoys//var/tmp/from_scwrl_912104000_b.pdb.gz for input Trying /var/tmp/from_scwrl_912104000_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_912104000_b.pdb or /var/tmp/from_scwrl_912104000_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_912104000_a.pdb or decoys//var/tmp/from_scwrl_912104000_a.pdb.gz for input Trying /var/tmp/from_scwrl_912104000_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_912104000_a.pdb or /var/tmp/from_scwrl_912104000_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_912104000.pdb or /var/tmp/from_scwrl_912104000_b.pdb or /var/tmp/from_scwrl_912104000_a.pdb Error: no new SCWRL conformation added # naming current conformation CaspIta-FOX_TS2-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS3.pdb.gz looking for model 1 WARNING: atoms too close: (T0331)G121.C and (T0331)H122.N only 0.000 apart, marking (T0331)H122.N as missing WARNING: atoms too close: (T0331)H122.N and (T0331)H122.CA only 0.000 apart, marking (T0331)H122.CA as missing WARNING: atoms too close: (T0331)G121.C and (T0331)H122.CA only 0.000 apart, marking (T0331)H122.CA as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)H122.CB only 0.000 apart, marking (T0331)H122.CB as missing WARNING: atoms too close: (T0331)H122.N and (T0331)H122.CB only 0.000 apart, marking (T0331)H122.CB as missing WARNING: atoms too close: (T0331)G121.C and (T0331)H122.CB only 0.000 apart, marking (T0331)H122.CB as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)H122.CG only 0.000 apart, marking (T0331)H122.CG as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)H122.CG only 0.000 apart, marking (T0331)H122.CG as missing WARNING: atoms too close: (T0331)H122.N and (T0331)H122.CG only 0.000 apart, marking (T0331)H122.CG as missing WARNING: atoms too close: (T0331)G121.C and (T0331)H122.CG only 0.000 apart, marking (T0331)H122.CG as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)H122.CD2 only 0.000 apart, marking (T0331)H122.CD2 as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)H122.CD2 only 0.000 apart, marking (T0331)H122.CD2 as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)H122.CD2 only 0.000 apart, marking (T0331)H122.CD2 as missing WARNING: atoms too close: (T0331)H122.N and (T0331)H122.CD2 only 0.000 apart, marking (T0331)H122.CD2 as missing WARNING: atoms too close: (T0331)G121.C and (T0331)H122.CD2 only 0.000 apart, marking (T0331)H122.CD2 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)H122.ND1 only 0.000 apart, marking (T0331)H122.ND1 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)H122.ND1 only 0.000 apart, marking (T0331)H122.ND1 as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)H122.ND1 only 0.000 apart, marking (T0331)H122.ND1 as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)H122.ND1 only 0.000 apart, marking (T0331)H122.ND1 as missing WARNING: atoms too close: (T0331)H122.N and (T0331)H122.ND1 only 0.000 apart, marking (T0331)H122.ND1 as missing WARNING: atoms too close: (T0331)G121.C and (T0331)H122.ND1 only 0.000 apart, marking (T0331)H122.ND1 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)H122.CE1 only 0.000 apart, marking (T0331)H122.CE1 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)H122.CE1 only 0.000 apart, marking (T0331)H122.CE1 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)H122.CE1 only 0.000 apart, marking (T0331)H122.CE1 as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)H122.CE1 only 0.000 apart, marking (T0331)H122.CE1 as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)H122.CE1 only 0.000 apart, marking (T0331)H122.CE1 as missing WARNING: atoms too close: (T0331)H122.N and (T0331)H122.CE1 only 0.000 apart, marking (T0331)H122.CE1 as missing WARNING: atoms too close: (T0331)G121.C and (T0331)H122.CE1 only 0.000 apart, marking (T0331)H122.CE1 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)H122.NE2 only 0.000 apart, marking (T0331)H122.NE2 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)H122.NE2 only 0.000 apart, marking (T0331)H122.NE2 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)H122.NE2 only 0.000 apart, marking (T0331)H122.NE2 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)H122.NE2 only 0.000 apart, marking (T0331)H122.NE2 as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)H122.NE2 only 0.000 apart, marking (T0331)H122.NE2 as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)H122.NE2 only 0.000 apart, marking (T0331)H122.NE2 as missing WARNING: atoms too close: (T0331)H122.N and (T0331)H122.NE2 only 0.000 apart, marking (T0331)H122.NE2 as missing WARNING: atoms too close: (T0331)G121.C and (T0331)H122.NE2 only 0.000 apart, marking (T0331)H122.NE2 as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)H122.O only 0.000 apart, marking (T0331)H122.O as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)H122.O only 0.000 apart, marking (T0331)H122.O as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)H122.O only 0.000 apart, marking (T0331)H122.O as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)H122.O only 0.000 apart, marking (T0331)H122.O as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)H122.O only 0.000 apart, marking (T0331)H122.O as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)H122.O only 0.000 apart, marking (T0331)H122.O as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)H122.O only 0.000 apart, marking (T0331)H122.O as missing WARNING: atoms too close: (T0331)H122.N and (T0331)H122.O only 0.000 apart, marking (T0331)H122.O as missing WARNING: atoms too close: (T0331)G121.C and (T0331)H122.O only 0.000 apart, marking (T0331)H122.O as missing WARNING: atoms too close: (T0331)H122.O and (T0331)H122.C only 0.000 apart, marking (T0331)H122.C as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)H122.C only 0.000 apart, marking (T0331)H122.C as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)H122.C only 0.000 apart, marking (T0331)H122.C as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)H122.C only 0.000 apart, marking (T0331)H122.C as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)H122.C only 0.000 apart, marking (T0331)H122.C as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)H122.C only 0.000 apart, marking (T0331)H122.C as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)H122.C only 0.000 apart, marking (T0331)H122.C as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)H122.C only 0.000 apart, marking (T0331)H122.C as missing WARNING: atoms too close: (T0331)H122.N and (T0331)H122.C only 0.000 apart, marking (T0331)H122.C as missing WARNING: atoms too close: (T0331)G121.C and (T0331)H122.C only 0.000 apart, marking (T0331)H122.C as missing WARNING: atoms too close: (T0331)H122.C and (T0331)G123.N only 0.000 apart, marking (T0331)H122.C as missing WARNING: atoms too close: (T0331)H122.O and (T0331)G123.N only 0.000 apart, marking (T0331)H122.O as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)G123.N only 0.000 apart, marking (T0331)H122.NE2 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)G123.N only 0.000 apart, marking (T0331)H122.CE1 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)G123.N only 0.000 apart, marking (T0331)H122.ND1 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)G123.N only 0.000 apart, marking (T0331)H122.CD2 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)G123.N only 0.000 apart, marking (T0331)H122.CG as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)G123.N only 0.000 apart, marking (T0331)H122.CB as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)G123.N only 0.000 apart, marking (T0331)H122.CA as missing WARNING: atoms too close: (T0331)H122.N and (T0331)G123.N only 0.000 apart, marking (T0331)H122.N as missing WARNING: atoms too close: (T0331)G121.C and (T0331)G123.N only 0.000 apart, marking (T0331)G123.N as missing WARNING: atoms too close: (T0331)G123.N and (T0331)G123.CA only 0.000 apart, marking (T0331)G123.CA as missing WARNING: atoms too close: (T0331)H122.C and (T0331)G123.CA only 0.000 apart, marking (T0331)G123.CA as missing WARNING: atoms too close: (T0331)H122.O and (T0331)G123.CA only 0.000 apart, marking (T0331)G123.CA as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)G123.CA only 0.000 apart, marking (T0331)G123.CA as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)G123.CA only 0.000 apart, marking (T0331)G123.CA as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)G123.CA only 0.000 apart, marking (T0331)G123.CA as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)G123.CA only 0.000 apart, marking (T0331)G123.CA as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)G123.CA only 0.000 apart, marking (T0331)G123.CA as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)G123.CA only 0.000 apart, marking (T0331)G123.CA as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)G123.CA only 0.000 apart, marking (T0331)G123.CA as missing WARNING: atoms too close: (T0331)H122.N and (T0331)G123.CA only 0.000 apart, marking (T0331)G123.CA as missing WARNING: atoms too close: (T0331)G121.C and (T0331)G123.CA only 0.000 apart, marking (T0331)G123.CA as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)G123.O only 0.000 apart, marking (T0331)G123.O as missing WARNING: atoms too close: (T0331)G123.N and (T0331)G123.O only 0.000 apart, marking (T0331)G123.O as missing WARNING: atoms too close: (T0331)H122.C and (T0331)G123.O only 0.000 apart, marking (T0331)G123.O as missing WARNING: atoms too close: (T0331)H122.O and (T0331)G123.O only 0.000 apart, marking (T0331)G123.O as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)G123.O only 0.000 apart, marking (T0331)G123.O as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)G123.O only 0.000 apart, marking (T0331)G123.O as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)G123.O only 0.000 apart, marking (T0331)G123.O as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)G123.O only 0.000 apart, marking (T0331)G123.O as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)G123.O only 0.000 apart, marking (T0331)G123.O as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)G123.O only 0.000 apart, marking (T0331)G123.O as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)G123.O only 0.000 apart, marking (T0331)G123.O as missing WARNING: atoms too close: (T0331)H122.N and (T0331)G123.O only 0.000 apart, marking (T0331)G123.O as missing WARNING: atoms too close: (T0331)G121.C and (T0331)G123.O only 0.000 apart, marking (T0331)G123.O as missing WARNING: atoms too close: (T0331)G123.O and (T0331)G123.C only 0.000 apart, marking (T0331)G123.C as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)G123.C only 0.000 apart, marking (T0331)G123.C as missing WARNING: atoms too close: (T0331)G123.N and (T0331)G123.C only 0.000 apart, marking (T0331)G123.C as missing WARNING: atoms too close: (T0331)H122.C and (T0331)G123.C only 0.000 apart, marking (T0331)G123.C as missing WARNING: atoms too close: (T0331)H122.O and (T0331)G123.C only 0.000 apart, marking (T0331)G123.C as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)G123.C only 0.000 apart, marking (T0331)G123.C as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)G123.C only 0.000 apart, marking (T0331)G123.C as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)G123.C only 0.000 apart, marking (T0331)G123.C as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)G123.C only 0.000 apart, marking (T0331)G123.C as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)G123.C only 0.000 apart, marking (T0331)G123.C as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)G123.C only 0.000 apart, marking (T0331)G123.C as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)G123.C only 0.000 apart, marking (T0331)G123.C as missing WARNING: atoms too close: (T0331)H122.N and (T0331)G123.C only 0.000 apart, marking (T0331)G123.C as missing WARNING: atoms too close: (T0331)G121.C and (T0331)G123.C only 0.000 apart, marking (T0331)G123.C as missing WARNING: atoms too close: (T0331)G123.C and (T0331)F124.N only 0.000 apart, marking (T0331)G123.C as missing WARNING: atoms too close: (T0331)G123.O and (T0331)F124.N only 0.000 apart, marking (T0331)G123.O as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)F124.N only 0.000 apart, marking (T0331)G123.CA as missing WARNING: atoms too close: (T0331)G123.N and (T0331)F124.N only 0.000 apart, marking (T0331)G123.N as missing WARNING: atoms too close: (T0331)H122.C and (T0331)F124.N only 0.000 apart, marking (T0331)H122.C as missing WARNING: atoms too close: (T0331)H122.O and (T0331)F124.N only 0.000 apart, marking (T0331)H122.O as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)F124.N only 0.000 apart, marking (T0331)H122.NE2 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)F124.N only 0.000 apart, marking (T0331)H122.CE1 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)F124.N only 0.000 apart, marking (T0331)H122.ND1 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)F124.N only 0.000 apart, marking (T0331)H122.CD2 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)F124.N only 0.000 apart, marking (T0331)H122.CG as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)F124.N only 0.000 apart, marking (T0331)H122.CB as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)F124.N only 0.000 apart, marking (T0331)H122.CA as missing WARNING: atoms too close: (T0331)H122.N and (T0331)F124.N only 0.000 apart, marking (T0331)H122.N as missing WARNING: atoms too close: (T0331)G121.C and (T0331)F124.N only 0.000 apart, marking (T0331)F124.N as missing WARNING: atoms too close: (T0331)F124.N and (T0331)F124.CA only 0.000 apart, marking (T0331)F124.CA as missing WARNING: atoms too close: (T0331)G123.C and (T0331)F124.CA only 0.000 apart, marking (T0331)F124.CA as missing WARNING: atoms too close: (T0331)G123.O and (T0331)F124.CA only 0.000 apart, marking (T0331)F124.CA as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)F124.CA only 0.000 apart, marking (T0331)F124.CA as missing WARNING: atoms too close: (T0331)G123.N and (T0331)F124.CA only 0.000 apart, marking (T0331)F124.CA as missing WARNING: atoms too close: (T0331)H122.C and (T0331)F124.CA only 0.000 apart, marking (T0331)F124.CA as missing WARNING: atoms too close: (T0331)H122.O and (T0331)F124.CA only 0.000 apart, marking (T0331)F124.CA as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)F124.CA only 0.000 apart, marking (T0331)F124.CA as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)F124.CA only 0.000 apart, marking (T0331)F124.CA as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)F124.CA only 0.000 apart, marking (T0331)F124.CA as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)F124.CA only 0.000 apart, marking (T0331)F124.CA as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)F124.CA only 0.000 apart, marking (T0331)F124.CA as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)F124.CA only 0.000 apart, marking (T0331)F124.CA as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)F124.CA only 0.000 apart, marking (T0331)F124.CA as missing WARNING: atoms too close: (T0331)H122.N and (T0331)F124.CA only 0.000 apart, marking (T0331)F124.CA as missing WARNING: atoms too close: (T0331)G121.C and (T0331)F124.CA only 0.000 apart, marking (T0331)F124.CA as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)F124.CB only 0.000 apart, marking (T0331)F124.CB as missing WARNING: atoms too close: (T0331)F124.N and (T0331)F124.CB only 0.000 apart, marking (T0331)F124.CB as missing WARNING: atoms too close: (T0331)G123.C and (T0331)F124.CB only 0.000 apart, marking (T0331)F124.CB as missing WARNING: atoms too close: (T0331)G123.O and (T0331)F124.CB only 0.000 apart, marking (T0331)F124.CB as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)F124.CB only 0.000 apart, marking (T0331)F124.CB as missing WARNING: atoms too close: (T0331)G123.N and (T0331)F124.CB only 0.000 apart, marking (T0331)F124.CB as missing WARNING: atoms too close: (T0331)H122.C and (T0331)F124.CB only 0.000 apart, marking (T0331)F124.CB as missing WARNING: atoms too close: (T0331)H122.O and (T0331)F124.CB only 0.000 apart, marking (T0331)F124.CB as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)F124.CB only 0.000 apart, marking (T0331)F124.CB as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)F124.CB only 0.000 apart, marking (T0331)F124.CB as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)F124.CB only 0.000 apart, marking (T0331)F124.CB as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)F124.CB only 0.000 apart, marking (T0331)F124.CB as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)F124.CB only 0.000 apart, marking (T0331)F124.CB as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)F124.CB only 0.000 apart, marking (T0331)F124.CB as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)F124.CB only 0.000 apart, marking (T0331)F124.CB as missing WARNING: atoms too close: (T0331)H122.N and (T0331)F124.CB only 0.000 apart, marking (T0331)F124.CB as missing WARNING: atoms too close: (T0331)G121.C and (T0331)F124.CB only 0.000 apart, marking (T0331)F124.CB as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)F124.CG only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)F124.CG only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)F124.N and (T0331)F124.CG only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)G123.C and (T0331)F124.CG only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)G123.O and (T0331)F124.CG only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)F124.CG only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)G123.N and (T0331)F124.CG only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)H122.C and (T0331)F124.CG only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)H122.O and (T0331)F124.CG only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)F124.CG only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)F124.CG only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)F124.CG only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)F124.CG only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)F124.CG only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)F124.CG only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)F124.CG only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)H122.N and (T0331)F124.CG only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)G121.C and (T0331)F124.CG only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)F124.CD1 only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)F124.CD1 only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)F124.CD1 only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)F124.N and (T0331)F124.CD1 only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)G123.C and (T0331)F124.CD1 only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)G123.O and (T0331)F124.CD1 only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)F124.CD1 only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)G123.N and (T0331)F124.CD1 only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)H122.C and (T0331)F124.CD1 only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)H122.O and (T0331)F124.CD1 only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)F124.CD1 only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)F124.CD1 only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)F124.CD1 only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)F124.CD1 only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)F124.CD1 only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)F124.CD1 only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)F124.CD1 only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)H122.N and (T0331)F124.CD1 only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)G121.C and (T0331)F124.CD1 only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)F124.CD2 only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)F124.CD2 only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)F124.CD2 only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)F124.CD2 only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)F124.N and (T0331)F124.CD2 only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)G123.C and (T0331)F124.CD2 only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)G123.O and (T0331)F124.CD2 only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)F124.CD2 only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)G123.N and (T0331)F124.CD2 only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)H122.C and (T0331)F124.CD2 only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)H122.O and (T0331)F124.CD2 only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)F124.CD2 only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)F124.CD2 only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)F124.CD2 only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)F124.CD2 only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)F124.CD2 only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)F124.CD2 only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)F124.CD2 only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)H122.N and (T0331)F124.CD2 only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)G121.C and (T0331)F124.CD2 only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)F124.CE1 only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)F124.CE1 only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)F124.CE1 only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)F124.CE1 only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)F124.CE1 only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)F124.N and (T0331)F124.CE1 only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)G123.C and (T0331)F124.CE1 only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)G123.O and (T0331)F124.CE1 only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)F124.CE1 only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)G123.N and (T0331)F124.CE1 only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)H122.C and (T0331)F124.CE1 only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)H122.O and (T0331)F124.CE1 only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)F124.CE1 only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)F124.CE1 only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)F124.CE1 only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)F124.CE1 only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)F124.CE1 only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)F124.CE1 only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)F124.CE1 only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)H122.N and (T0331)F124.CE1 only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)G121.C and (T0331)F124.CE1 only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)F124.CE2 only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)F124.CE2 only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)F124.CE2 only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)F124.CE2 only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)F124.CE2 only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)F124.CE2 only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)F124.N and (T0331)F124.CE2 only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)G123.C and (T0331)F124.CE2 only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)G123.O and (T0331)F124.CE2 only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)F124.CE2 only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)G123.N and (T0331)F124.CE2 only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)H122.C and (T0331)F124.CE2 only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)H122.O and (T0331)F124.CE2 only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)F124.CE2 only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)F124.CE2 only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)F124.CE2 only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)F124.CE2 only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)F124.CE2 only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)F124.CE2 only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)F124.CE2 only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)H122.N and (T0331)F124.CE2 only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)G121.C and (T0331)F124.CE2 only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)F124.CZ only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)F124.CZ only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)F124.CZ only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)F124.CZ only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)F124.CZ only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)F124.CZ only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)F124.CZ only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)F124.N and (T0331)F124.CZ only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)G123.C and (T0331)F124.CZ only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)G123.O and (T0331)F124.CZ only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)F124.CZ only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)G123.N and (T0331)F124.CZ only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)H122.C and (T0331)F124.CZ only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)H122.O and (T0331)F124.CZ only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)F124.CZ only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)F124.CZ only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)F124.CZ only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)F124.CZ only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)F124.CZ only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)F124.CZ only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)F124.CZ only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)H122.N and (T0331)F124.CZ only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)G121.C and (T0331)F124.CZ only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)F124.O only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)F124.O only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)F124.O only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)F124.O only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)F124.O only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)F124.O only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)F124.O only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)F124.O only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)F124.N and (T0331)F124.O only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)G123.C and (T0331)F124.O only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)G123.O and (T0331)F124.O only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)F124.O only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)G123.N and (T0331)F124.O only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)H122.C and (T0331)F124.O only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)H122.O and (T0331)F124.O only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)F124.O only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)F124.O only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)F124.O only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)F124.O only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)F124.O only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)F124.O only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)F124.O only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)H122.N and (T0331)F124.O only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)G121.C and (T0331)F124.O only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)F124.O and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)F124.N and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)G123.C and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)G123.O and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)G123.N and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)H122.C and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)H122.O and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)H122.N and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)G121.C and (T0331)F124.C only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)F124.C and (T0331)Y125.N only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)F124.O and (T0331)Y125.N only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)Y125.N only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)Y125.N only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)Y125.N only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)Y125.N only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)Y125.N only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)Y125.N only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)Y125.N only 0.000 apart, marking (T0331)F124.CB as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)Y125.N only 0.000 apart, marking (T0331)F124.CA as missing WARNING: atoms too close: (T0331)F124.N and (T0331)Y125.N only 0.000 apart, marking (T0331)F124.N as missing WARNING: atoms too close: (T0331)G123.C and (T0331)Y125.N only 0.000 apart, marking (T0331)G123.C as missing WARNING: atoms too close: (T0331)G123.O and (T0331)Y125.N only 0.000 apart, marking (T0331)G123.O as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)Y125.N only 0.000 apart, marking (T0331)G123.CA as missing WARNING: atoms too close: (T0331)G123.N and (T0331)Y125.N only 0.000 apart, marking (T0331)G123.N as missing WARNING: atoms too close: (T0331)H122.C and (T0331)Y125.N only 0.000 apart, marking (T0331)H122.C as missing WARNING: atoms too close: (T0331)H122.O and (T0331)Y125.N only 0.000 apart, marking (T0331)H122.O as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)Y125.N only 0.000 apart, marking (T0331)H122.NE2 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)Y125.N only 0.000 apart, marking (T0331)H122.CE1 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)Y125.N only 0.000 apart, marking (T0331)H122.ND1 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)Y125.N only 0.000 apart, marking (T0331)H122.CD2 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)Y125.N only 0.000 apart, marking (T0331)H122.CG as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)Y125.N only 0.000 apart, marking (T0331)H122.CB as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)Y125.N only 0.000 apart, marking (T0331)H122.CA as missing WARNING: atoms too close: (T0331)H122.N and (T0331)Y125.N only 0.000 apart, marking (T0331)H122.N as missing WARNING: atoms too close: (T0331)G121.C and (T0331)Y125.N only 0.000 apart, marking (T0331)Y125.N as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)F124.C and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)F124.O and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)F124.N and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)G123.C and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)G123.O and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)G123.N and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)H122.C and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)H122.O and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)H122.N and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)G121.C and (T0331)Y125.CA only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)F124.C and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)F124.O and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)F124.N and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)G123.C and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)G123.O and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)G123.N and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)H122.C and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)H122.O and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)H122.N and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)G121.C and (T0331)Y125.CB only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)F124.C and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)F124.O and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)F124.N and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)G123.C and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)G123.O and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)G123.N and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)H122.C and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)H122.O and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)H122.N and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)G121.C and (T0331)Y125.CG only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)F124.C and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)F124.O and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)F124.N and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)G123.C and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)G123.O and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)G123.N and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)H122.C and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)H122.O and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)H122.N and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)G121.C and (T0331)Y125.CD1 only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)F124.C and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)F124.O and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)F124.N and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)G123.C and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)G123.O and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)G123.N and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)H122.C and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)H122.O and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)H122.N and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)G121.C and (T0331)Y125.CD2 only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)F124.C and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)F124.O and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)F124.N and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)G123.C and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)G123.O and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)G123.N and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)H122.C and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)H122.O and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)H122.N and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)G121.C and (T0331)Y125.CE1 only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)F124.C and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)F124.O and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)F124.N and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)G123.C and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)G123.O and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)G123.N and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)H122.C and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)H122.O and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)H122.N and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)G121.C and (T0331)Y125.CE2 only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)F124.C and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)F124.O and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)F124.N and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)G123.C and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)G123.O and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)G123.N and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)H122.C and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)H122.O and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)H122.N and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)G121.C and (T0331)Y125.CZ only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)F124.C and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)F124.O and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)F124.N and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)G123.C and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)G123.O and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)G123.N and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)H122.C and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)H122.O and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)H122.N and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)G121.C and (T0331)Y125.OH only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)F124.C and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)F124.O and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)F124.N and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)G123.C and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)G123.O and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)G123.N and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)H122.C and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)H122.O and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)H122.N and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)G121.C and (T0331)Y125.O only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)F124.C and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)F124.O and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)F124.N and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)G123.C and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)G123.O and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)G123.N and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)H122.C and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)H122.O and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)H122.N and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)G121.C and (T0331)Y125.C only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)H126.N only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)H126.N only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)H126.N only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)H126.N only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)H126.N only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)H126.N only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)H126.N only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)H126.N only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)H126.N only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)H126.N only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)H126.N only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)H126.N only 0.000 apart, marking (T0331)Y125.N as missing WARNING: atoms too close: (T0331)F124.C and (T0331)H126.N only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)F124.O and (T0331)H126.N only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)H126.N only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)H126.N only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)H126.N only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)H126.N only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)H126.N only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)H126.N only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)H126.N only 0.000 apart, marking (T0331)F124.CB as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)H126.N only 0.000 apart, marking (T0331)F124.CA as missing WARNING: atoms too close: (T0331)F124.N and (T0331)H126.N only 0.000 apart, marking (T0331)F124.N as missing WARNING: atoms too close: (T0331)G123.C and (T0331)H126.N only 0.000 apart, marking (T0331)G123.C as missing WARNING: atoms too close: (T0331)G123.O and (T0331)H126.N only 0.000 apart, marking (T0331)G123.O as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)H126.N only 0.000 apart, marking (T0331)G123.CA as missing WARNING: atoms too close: (T0331)G123.N and (T0331)H126.N only 0.000 apart, marking (T0331)G123.N as missing WARNING: atoms too close: (T0331)H122.C and (T0331)H126.N only 0.000 apart, marking (T0331)H122.C as missing WARNING: atoms too close: (T0331)H122.O and (T0331)H126.N only 0.000 apart, marking (T0331)H122.O as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)H126.N only 0.000 apart, marking (T0331)H122.NE2 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)H126.N only 0.000 apart, marking (T0331)H122.CE1 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)H126.N only 0.000 apart, marking (T0331)H122.ND1 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)H126.N only 0.000 apart, marking (T0331)H122.CD2 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)H126.N only 0.000 apart, marking (T0331)H122.CG as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)H126.N only 0.000 apart, marking (T0331)H122.CB as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)H126.N only 0.000 apart, marking (T0331)H122.CA as missing WARNING: atoms too close: (T0331)H122.N and (T0331)H126.N only 0.000 apart, marking (T0331)H122.N as missing WARNING: atoms too close: (T0331)G121.C and (T0331)H126.N only 0.000 apart, marking (T0331)H126.N as missing WARNING: atoms too close: (T0331)H126.N and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)F124.C and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)F124.O and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)F124.N and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)G123.C and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)G123.O and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)G123.N and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)H122.C and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)H122.O and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)H122.N and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)G121.C and (T0331)H126.CA only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)H126.N and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)F124.C and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)F124.O and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)F124.N and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)G123.C and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)G123.O and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)G123.N and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)H122.C and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)H122.O and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)H122.N and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)G121.C and (T0331)H126.CB only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)H126.N and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)F124.C and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)F124.O and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)F124.N and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)G123.C and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)G123.O and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)G123.N and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)H122.C and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)H122.O and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)H122.N and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)G121.C and (T0331)H126.CG only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)H126.N and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)F124.C and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)F124.O and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)F124.N and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)G123.C and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)G123.O and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)G123.N and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)H122.C and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)H122.O and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)H122.N and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)G121.C and (T0331)H126.CD2 only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)H126.N and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)F124.C and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)F124.O and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)F124.N and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)G123.C and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)G123.O and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)G123.N and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)H122.C and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)H122.O and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)H122.N and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)G121.C and (T0331)H126.ND1 only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)H126.N and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)F124.C and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)F124.O and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)F124.N and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)G123.C and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)G123.O and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)G123.N and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)H122.C and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)H122.O and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)H122.N and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)G121.C and (T0331)H126.CE1 only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)H126.N and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)F124.C and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)F124.O and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)F124.N and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)G123.C and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)G123.O and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)G123.N and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)H122.C and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)H122.O and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)H122.N and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)G121.C and (T0331)H126.NE2 only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)H126.N and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)F124.C and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)F124.O and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)F124.N and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)G123.C and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)G123.O and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)G123.N and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)H122.C and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)H122.O and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)H122.N and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)G121.C and (T0331)H126.O only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)H126.O and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)H126.N and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)F124.C and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)F124.O and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)F124.N and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)G123.C and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)G123.O and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)G123.N and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)H122.C and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)H122.O and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)H122.N and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)G121.C and (T0331)H126.C only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)H126.C and (T0331)S127.N only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)H126.O and (T0331)S127.N only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)S127.N only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)S127.N only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)S127.N only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)S127.N only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)S127.N only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)S127.N only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)S127.N only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)H126.N and (T0331)S127.N only 0.000 apart, marking (T0331)H126.N as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)S127.N only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)S127.N only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)S127.N only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)S127.N only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)S127.N only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)S127.N only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)S127.N only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)S127.N only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)S127.N only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)S127.N only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)S127.N only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)S127.N only 0.000 apart, marking (T0331)Y125.N as missing WARNING: atoms too close: (T0331)F124.C and (T0331)S127.N only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)F124.O and (T0331)S127.N only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)S127.N only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)S127.N only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)S127.N only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)S127.N only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)S127.N only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)S127.N only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)S127.N only 0.000 apart, marking (T0331)F124.CB as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)S127.N only 0.000 apart, marking (T0331)F124.CA as missing WARNING: atoms too close: (T0331)F124.N and (T0331)S127.N only 0.000 apart, marking (T0331)F124.N as missing WARNING: atoms too close: (T0331)G123.C and (T0331)S127.N only 0.000 apart, marking (T0331)G123.C as missing WARNING: atoms too close: (T0331)G123.O and (T0331)S127.N only 0.000 apart, marking (T0331)G123.O as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)S127.N only 0.000 apart, marking (T0331)G123.CA as missing WARNING: atoms too close: (T0331)G123.N and (T0331)S127.N only 0.000 apart, marking (T0331)G123.N as missing WARNING: atoms too close: (T0331)H122.C and (T0331)S127.N only 0.000 apart, marking (T0331)H122.C as missing WARNING: atoms too close: (T0331)H122.O and (T0331)S127.N only 0.000 apart, marking (T0331)H122.O as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)S127.N only 0.000 apart, marking (T0331)H122.NE2 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)S127.N only 0.000 apart, marking (T0331)H122.CE1 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)S127.N only 0.000 apart, marking (T0331)H122.ND1 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)S127.N only 0.000 apart, marking (T0331)H122.CD2 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)S127.N only 0.000 apart, marking (T0331)H122.CG as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)S127.N only 0.000 apart, marking (T0331)H122.CB as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)S127.N only 0.000 apart, marking (T0331)H122.CA as missing WARNING: atoms too close: (T0331)H122.N and (T0331)S127.N only 0.000 apart, marking (T0331)H122.N as missing WARNING: atoms too close: (T0331)G121.C and (T0331)S127.N only 0.000 apart, marking (T0331)S127.N as missing WARNING: atoms too close: (T0331)S127.N and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)H126.C and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)H126.O and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)H126.N and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)F124.C and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)F124.O and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)F124.N and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)G123.C and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)G123.O and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)G123.N and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)H122.C and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)H122.O and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)H122.N and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)G121.C and (T0331)S127.CA only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)S127.N and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)H126.C and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)H126.O and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)H126.N and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)F124.C and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)F124.O and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)F124.N and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)G123.C and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)G123.O and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)G123.N and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)H122.C and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)H122.O and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)H122.N and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)G121.C and (T0331)S127.CB only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)S127.N and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)H126.C and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)H126.O and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)H126.N and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)F124.C and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)F124.O and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)F124.N and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)G123.C and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)G123.O and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)G123.N and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)H122.C and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)H122.O and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)H122.N and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)G121.C and (T0331)S127.OG only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)S127.N and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)H126.C and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)H126.O and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)H126.N and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)F124.C and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)F124.O and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)F124.N and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)G123.C and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)G123.O and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)G123.N and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)H122.C and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)H122.O and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)H122.N and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)G121.C and (T0331)S127.O only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)S127.O and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)S127.N and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)H126.C and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)H126.O and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)H126.N and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)F124.C and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)F124.O and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)F124.N and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)G123.C and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)G123.O and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)G123.N and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)H122.C and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)H122.O and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)H122.N and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)G121.C and (T0331)S127.C only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)S127.C and (T0331)L128.N only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)S127.O and (T0331)L128.N only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)L128.N only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)L128.N only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)L128.N only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)S127.N and (T0331)L128.N only 0.000 apart, marking (T0331)S127.N as missing WARNING: atoms too close: (T0331)H126.C and (T0331)L128.N only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)H126.O and (T0331)L128.N only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)L128.N only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)L128.N only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)L128.N only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)L128.N only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)L128.N only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)L128.N only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)L128.N only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)H126.N and (T0331)L128.N only 0.000 apart, marking (T0331)H126.N as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)L128.N only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)L128.N only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)L128.N only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)L128.N only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)L128.N only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)L128.N only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)L128.N only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)L128.N only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)L128.N only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)L128.N only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)L128.N only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)L128.N only 0.000 apart, marking (T0331)Y125.N as missing WARNING: atoms too close: (T0331)F124.C and (T0331)L128.N only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)F124.O and (T0331)L128.N only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)L128.N only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)L128.N only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)L128.N only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)L128.N only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)L128.N only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)L128.N only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)L128.N only 0.000 apart, marking (T0331)F124.CB as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)L128.N only 0.000 apart, marking (T0331)F124.CA as missing WARNING: atoms too close: (T0331)F124.N and (T0331)L128.N only 0.000 apart, marking (T0331)F124.N as missing WARNING: atoms too close: (T0331)G123.C and (T0331)L128.N only 0.000 apart, marking (T0331)G123.C as missing WARNING: atoms too close: (T0331)G123.O and (T0331)L128.N only 0.000 apart, marking (T0331)G123.O as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)L128.N only 0.000 apart, marking (T0331)G123.CA as missing WARNING: atoms too close: (T0331)G123.N and (T0331)L128.N only 0.000 apart, marking (T0331)G123.N as missing WARNING: atoms too close: (T0331)H122.C and (T0331)L128.N only 0.000 apart, marking (T0331)H122.C as missing WARNING: atoms too close: (T0331)H122.O and (T0331)L128.N only 0.000 apart, marking (T0331)H122.O as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)L128.N only 0.000 apart, marking (T0331)H122.NE2 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)L128.N only 0.000 apart, marking (T0331)H122.CE1 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)L128.N only 0.000 apart, marking (T0331)H122.ND1 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)L128.N only 0.000 apart, marking (T0331)H122.CD2 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)L128.N only 0.000 apart, marking (T0331)H122.CG as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)L128.N only 0.000 apart, marking (T0331)H122.CB as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)L128.N only 0.000 apart, marking (T0331)H122.CA as missing WARNING: atoms too close: (T0331)H122.N and (T0331)L128.N only 0.000 apart, marking (T0331)H122.N as missing WARNING: atoms too close: (T0331)G121.C and (T0331)L128.N only 0.000 apart, marking (T0331)L128.N as missing WARNING: atoms too close: (T0331)L128.N and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)S127.C and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)S127.O and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)S127.N and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)H126.C and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)H126.O and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)H126.N and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)F124.C and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)F124.O and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)F124.N and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)G123.C and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)G123.O and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)G123.N and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)H122.C and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)H122.O and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)H122.N and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)G121.C and (T0331)L128.CA only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)L128.N and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)S127.C and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)S127.O and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)S127.N and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)H126.C and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)H126.O and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)H126.N and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)F124.C and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)F124.O and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)F124.N and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)G123.C and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)G123.O and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)G123.N and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)H122.C and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)H122.O and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)H122.N and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)G121.C and (T0331)L128.CB only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)L128.N and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)S127.C and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)S127.O and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)S127.N and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)H126.C and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)H126.O and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)H126.N and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)F124.C and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)F124.O and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)F124.N and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)G123.C and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)G123.O and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)G123.N and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)H122.C and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)H122.O and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)H122.N and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)G121.C and (T0331)L128.CG only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)L128.CG and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)L128.N and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)S127.C and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)S127.O and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)S127.N and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)H126.C and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)H126.O and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)H126.N and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)F124.C and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)F124.O and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)F124.N and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)G123.C and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)G123.O and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)G123.N and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)H122.C and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)H122.O and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)H122.N and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)G121.C and (T0331)L128.CD1 only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)L128.CD1 and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)L128.CG and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)L128.N and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)S127.C and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)S127.O and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)S127.N and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)H126.C and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)H126.O and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)H126.N and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)F124.C and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)F124.O and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)F124.N and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)G123.C and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)G123.O and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)G123.N and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)H122.C and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)H122.O and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)H122.N and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)G121.C and (T0331)L128.CD2 only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)L128.CD2 and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)L128.CD1 and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)L128.CG and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)L128.N and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)S127.C and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)S127.O and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)S127.N and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)H126.C and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)H126.O and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)H126.N and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)F124.C and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)F124.O and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)F124.N and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)G123.C and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)G123.O and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)G123.N and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)H122.C and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)H122.O and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)H122.N and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)G121.C and (T0331)L128.O only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)L128.O and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)L128.CD2 and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)L128.CD1 and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)L128.CG and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)L128.N and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)S127.C and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)S127.O and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)S127.N and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)H126.C and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)H126.O and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)H126.N and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)F124.C and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)F124.O and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)F124.N and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)G123.C and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)G123.O and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)G123.N and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)H122.C and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)H122.O and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)H122.N and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)G121.C and (T0331)L128.C only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)L128.C and (T0331)T129.N only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)L128.O and (T0331)T129.N only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)L128.CD2 and (T0331)T129.N only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)L128.CD1 and (T0331)T129.N only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)L128.CG and (T0331)T129.N only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)T129.N only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)T129.N only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)L128.N and (T0331)T129.N only 0.000 apart, marking (T0331)L128.N as missing WARNING: atoms too close: (T0331)S127.C and (T0331)T129.N only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)S127.O and (T0331)T129.N only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)T129.N only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)T129.N only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)T129.N only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)S127.N and (T0331)T129.N only 0.000 apart, marking (T0331)S127.N as missing WARNING: atoms too close: (T0331)H126.C and (T0331)T129.N only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)H126.O and (T0331)T129.N only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)T129.N only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)T129.N only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)T129.N only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)T129.N only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)T129.N only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)T129.N only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)T129.N only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)H126.N and (T0331)T129.N only 0.000 apart, marking (T0331)H126.N as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)T129.N only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)T129.N only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)T129.N only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)T129.N only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)T129.N only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)T129.N only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)T129.N only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)T129.N only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)T129.N only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)T129.N only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)T129.N only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)T129.N only 0.000 apart, marking (T0331)Y125.N as missing WARNING: atoms too close: (T0331)F124.C and (T0331)T129.N only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)F124.O and (T0331)T129.N only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)T129.N only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)T129.N only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)T129.N only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)T129.N only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)T129.N only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)T129.N only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)T129.N only 0.000 apart, marking (T0331)F124.CB as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)T129.N only 0.000 apart, marking (T0331)F124.CA as missing WARNING: atoms too close: (T0331)F124.N and (T0331)T129.N only 0.000 apart, marking (T0331)F124.N as missing WARNING: atoms too close: (T0331)G123.C and (T0331)T129.N only 0.000 apart, marking (T0331)G123.C as missing WARNING: atoms too close: (T0331)G123.O and (T0331)T129.N only 0.000 apart, marking (T0331)G123.O as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)T129.N only 0.000 apart, marking (T0331)G123.CA as missing WARNING: atoms too close: (T0331)G123.N and (T0331)T129.N only 0.000 apart, marking (T0331)G123.N as missing WARNING: atoms too close: (T0331)H122.C and (T0331)T129.N only 0.000 apart, marking (T0331)H122.C as missing WARNING: atoms too close: (T0331)H122.O and (T0331)T129.N only 0.000 apart, marking (T0331)H122.O as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)T129.N only 0.000 apart, marking (T0331)H122.NE2 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)T129.N only 0.000 apart, marking (T0331)H122.CE1 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)T129.N only 0.000 apart, marking (T0331)H122.ND1 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)T129.N only 0.000 apart, marking (T0331)H122.CD2 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)T129.N only 0.000 apart, marking (T0331)H122.CG as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)T129.N only 0.000 apart, marking (T0331)H122.CB as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)T129.N only 0.000 apart, marking (T0331)H122.CA as missing WARNING: atoms too close: (T0331)H122.N and (T0331)T129.N only 0.000 apart, marking (T0331)H122.N as missing WARNING: atoms too close: (T0331)G121.C and (T0331)T129.N only 0.000 apart, marking (T0331)T129.N as missing WARNING: atoms too close: (T0331)T129.N and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)L128.C and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)L128.O and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)L128.CD2 and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)L128.CD1 and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)L128.CG and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)L128.N and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)S127.C and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)S127.O and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)S127.N and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)H126.C and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)H126.O and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)H126.N and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)F124.C and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)F124.O and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)F124.N and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)G123.C and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)G123.O and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)G123.N and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)H122.C and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)H122.O and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)H122.N and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)G121.C and (T0331)T129.CA only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)T129.CA and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)T129.N and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)L128.C and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)L128.O and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)L128.CD2 and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)L128.CD1 and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)L128.CG and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)L128.N and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)S127.C and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)S127.O and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)S127.N and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)H126.C and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)H126.O and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)H126.N and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)F124.C and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)F124.O and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)F124.N and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)G123.C and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)G123.O and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)G123.N and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)H122.C and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)H122.O and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)H122.N and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)G121.C and (T0331)T129.CB only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)T129.CB and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)T129.CA and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)T129.N and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)L128.C and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)L128.O and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)L128.CD2 and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)L128.CD1 and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)L128.CG and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)L128.N and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)S127.C and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)S127.O and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)S127.N and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)H126.C and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)H126.O and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)H126.N and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)F124.C and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)F124.O and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)F124.N and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)G123.C and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)G123.O and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)G123.N and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)H122.C and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)H122.O and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)H122.N and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)G121.C and (T0331)T129.CG2 only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)T129.CG2 and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)T129.CB and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)T129.CA and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)T129.N and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)L128.C and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)L128.O and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)L128.CD2 and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)L128.CD1 and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)L128.CG and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)L128.N and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)S127.C and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)S127.O and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)S127.N and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)H126.C and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)H126.O and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)H126.N and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)F124.C and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)F124.O and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)F124.N and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)G123.C and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)G123.O and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)G123.N and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)H122.C and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)H122.O and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)H122.N and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)G121.C and (T0331)T129.OG1 only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)T129.OG1 and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)T129.CG2 and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)T129.CB and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)T129.CA and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)T129.N and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)L128.C and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)L128.O and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)L128.CD2 and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)L128.CD1 and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)L128.CG and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)L128.N and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)S127.C and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)S127.O and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)S127.N and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)H126.C and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)H126.O and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)H126.N and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)F124.C and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)F124.O and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)F124.N and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)G123.C and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)G123.O and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)G123.N and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)H122.C and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)H122.O and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)H122.N and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)G121.C and (T0331)T129.O only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)T129.O and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)T129.OG1 and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)T129.CG2 and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)T129.CB and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)T129.CA and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)T129.N and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)L128.C and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)L128.O and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)L128.CD2 and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)L128.CD1 and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)L128.CG and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)L128.N and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)S127.C and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)S127.O and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)S127.N and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)H126.C and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)H126.O and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)H126.N and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)F124.C and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)F124.O and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)F124.N and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)G123.C and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)G123.O and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)G123.N and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)H122.C and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)H122.O and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)H122.N and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)G121.C and (T0331)T129.C only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)T129.C and (T0331)Q130.N only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)T129.O and (T0331)Q130.N only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)T129.OG1 and (T0331)Q130.N only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)T129.CG2 and (T0331)Q130.N only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)T129.CB and (T0331)Q130.N only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)T129.CA and (T0331)Q130.N only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)T129.N and (T0331)Q130.N only 0.000 apart, marking (T0331)T129.N as missing WARNING: atoms too close: (T0331)L128.C and (T0331)Q130.N only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)L128.O and (T0331)Q130.N only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)L128.CD2 and (T0331)Q130.N only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)L128.CD1 and (T0331)Q130.N only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)L128.CG and (T0331)Q130.N only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)Q130.N only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)Q130.N only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)L128.N and (T0331)Q130.N only 0.000 apart, marking (T0331)L128.N as missing WARNING: atoms too close: (T0331)S127.C and (T0331)Q130.N only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)S127.O and (T0331)Q130.N only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)Q130.N only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)Q130.N only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)Q130.N only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)S127.N and (T0331)Q130.N only 0.000 apart, marking (T0331)S127.N as missing WARNING: atoms too close: (T0331)H126.C and (T0331)Q130.N only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)H126.O and (T0331)Q130.N only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)Q130.N only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)Q130.N only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)Q130.N only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)Q130.N only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)Q130.N only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)Q130.N only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)Q130.N only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)H126.N and (T0331)Q130.N only 0.000 apart, marking (T0331)H126.N as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)Q130.N only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)Q130.N only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)Q130.N only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)Q130.N only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)Q130.N only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)Q130.N only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)Q130.N only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)Q130.N only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)Q130.N only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)Q130.N only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)Q130.N only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)Q130.N only 0.000 apart, marking (T0331)Y125.N as missing WARNING: atoms too close: (T0331)F124.C and (T0331)Q130.N only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)F124.O and (T0331)Q130.N only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)Q130.N only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)Q130.N only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)Q130.N only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)Q130.N only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)Q130.N only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)Q130.N only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)Q130.N only 0.000 apart, marking (T0331)F124.CB as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)Q130.N only 0.000 apart, marking (T0331)F124.CA as missing WARNING: atoms too close: (T0331)F124.N and (T0331)Q130.N only 0.000 apart, marking (T0331)F124.N as missing WARNING: atoms too close: (T0331)G123.C and (T0331)Q130.N only 0.000 apart, marking (T0331)G123.C as missing WARNING: atoms too close: (T0331)G123.O and (T0331)Q130.N only 0.000 apart, marking (T0331)G123.O as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)Q130.N only 0.000 apart, marking (T0331)G123.CA as missing WARNING: atoms too close: (T0331)G123.N and (T0331)Q130.N only 0.000 apart, marking (T0331)G123.N as missing WARNING: atoms too close: (T0331)H122.C and (T0331)Q130.N only 0.000 apart, marking (T0331)H122.C as missing WARNING: atoms too close: (T0331)H122.O and (T0331)Q130.N only 0.000 apart, marking (T0331)H122.O as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)Q130.N only 0.000 apart, marking (T0331)H122.NE2 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)Q130.N only 0.000 apart, marking (T0331)H122.CE1 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)Q130.N only 0.000 apart, marking (T0331)H122.ND1 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)Q130.N only 0.000 apart, marking (T0331)H122.CD2 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)Q130.N only 0.000 apart, marking (T0331)H122.CG as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)Q130.N only 0.000 apart, marking (T0331)H122.CB as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)Q130.N only 0.000 apart, marking (T0331)H122.CA as missing WARNING: atoms too close: (T0331)H122.N and (T0331)Q130.N only 0.000 apart, marking (T0331)H122.N as missing WARNING: atoms too close: (T0331)G121.C and (T0331)Q130.N only 0.000 apart, marking (T0331)Q130.N as missing WARNING: atoms too close: (T0331)Q130.N and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)T129.C and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)T129.O and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)T129.OG1 and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)T129.CG2 and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)T129.CB and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)T129.CA and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)T129.N and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)L128.C and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)L128.O and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)L128.CD2 and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)L128.CD1 and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)L128.CG and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)L128.N and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)S127.C and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)S127.O and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)S127.N and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)H126.C and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)H126.O and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)H126.N and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)F124.C and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)F124.O and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)F124.N and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)G123.C and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)G123.O and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)G123.N and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)H122.C and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)H122.O and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)H122.N and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)G121.C and (T0331)Q130.CA only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)Q130.CA and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)Q130.N and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)T129.C and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)T129.O and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)T129.OG1 and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)T129.CG2 and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)T129.CB and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)T129.CA and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)T129.N and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)L128.C and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)L128.O and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)L128.CD2 and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)L128.CD1 and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)L128.CG and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)L128.N and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)S127.C and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)S127.O and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)S127.N and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)H126.C and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)H126.O and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)H126.N and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)F124.C and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)F124.O and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)F124.N and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)G123.C and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)G123.O and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)G123.N and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)H122.C and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)H122.O and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)H122.N and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)G121.C and (T0331)Q130.CB only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)Q130.CB and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)Q130.CA and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)Q130.N and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)T129.C and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)T129.O and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)T129.OG1 and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)T129.CG2 and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)T129.CB and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)T129.CA and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)T129.N and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)L128.C and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)L128.O and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)L128.CD2 and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)L128.CD1 and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)L128.CG and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)L128.N and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)S127.C and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)S127.O and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)S127.N and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)H126.C and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)H126.O and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)H126.N and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)F124.C and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)F124.O and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)F124.N and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)G123.C and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)G123.O and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)G123.N and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)H122.C and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)H122.O and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)H122.N and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)G121.C and (T0331)Q130.CG only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)Q130.CG and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)Q130.CB and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)Q130.CA and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)Q130.N and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)T129.C and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)T129.O and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)T129.OG1 and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)T129.CG2 and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)T129.CB and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)T129.CA and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)T129.N and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)L128.C and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)L128.O and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)L128.CD2 and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)L128.CD1 and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)L128.CG and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)L128.N and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)S127.C and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)S127.O and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)S127.N and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)H126.C and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)H126.O and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)H126.N and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)F124.C and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)F124.O and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)F124.N and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)G123.C and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)G123.O and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)G123.N and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)H122.C and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)H122.O and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)H122.N and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)G121.C and (T0331)Q130.CD only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)Q130.CD and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)Q130.CG and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)Q130.CB and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)Q130.CA and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)Q130.N and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)T129.C and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)T129.O and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)T129.OG1 and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)T129.CG2 and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)T129.CB and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)T129.CA and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)T129.N and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)L128.C and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)L128.O and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)L128.CD2 and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)L128.CD1 and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)L128.CG and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)L128.N and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)S127.C and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)S127.O and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)S127.N and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)H126.C and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)H126.O and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)H126.N and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)F124.C and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)F124.O and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)F124.N and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)G123.C and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)G123.O and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)G123.N and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)H122.C and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)H122.O and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)H122.N and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)G121.C and (T0331)Q130.OE1 only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)Q130.OE1 and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)Q130.CD and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)Q130.CG and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)Q130.CB and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)Q130.CA and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)Q130.N and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)T129.C and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)T129.O and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)T129.OG1 and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)T129.CG2 and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)T129.CB and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)T129.CA and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)T129.N and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)L128.C and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)L128.O and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)L128.CD2 and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)L128.CD1 and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)L128.CG and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)L128.N and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)S127.C and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)S127.O and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)S127.N and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)H126.C and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)H126.O and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)H126.N and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)F124.C and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)F124.O and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)F124.N and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)G123.C and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)G123.O and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)G123.N and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)H122.C and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)H122.O and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)H122.N and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)G121.C and (T0331)Q130.NE2 only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)Q130.NE2 and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)Q130.OE1 and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)Q130.CD and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)Q130.CG and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)Q130.CB and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)Q130.CA and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)Q130.N and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)T129.C and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)T129.O and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)T129.OG1 and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)T129.CG2 and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)T129.CB and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)T129.CA and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)T129.N and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)L128.C and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)L128.O and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)L128.CD2 and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)L128.CD1 and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)L128.CG and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)L128.N and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)S127.C and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)S127.O and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)S127.N and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)H126.C and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)H126.O and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)H126.N and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)F124.C and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)F124.O and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)F124.N and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)G123.C and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)G123.O and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)G123.N and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)H122.C and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)H122.O and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)H122.N and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)G121.C and (T0331)Q130.O only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)Q130.O and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)Q130.NE2 and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)Q130.OE1 and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)Q130.CD and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)Q130.CG and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)Q130.CB and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)Q130.CA and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)Q130.N and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)T129.C and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)T129.O and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)T129.OG1 and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)T129.CG2 and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)T129.CB and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)T129.CA and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)T129.N and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)L128.C and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)L128.O and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)L128.CD2 and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)L128.CD1 and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)L128.CG and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)L128.N and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)S127.C and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)S127.O and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)S127.N and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)H126.C and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)H126.O and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)H126.N and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)F124.C and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)F124.O and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)F124.N and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)G123.C and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)G123.O and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)G123.N and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)H122.C and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)H122.O and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)H122.N and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)G121.C and (T0331)Q130.C only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)Q130.C and (T0331)G131.N only 0.000 apart, marking (T0331)Q130.C as missing WARNING: atoms too close: (T0331)Q130.O and (T0331)G131.N only 0.000 apart, marking (T0331)Q130.O as missing WARNING: atoms too close: (T0331)Q130.NE2 and (T0331)G131.N only 0.000 apart, marking (T0331)Q130.NE2 as missing WARNING: atoms too close: (T0331)Q130.OE1 and (T0331)G131.N only 0.000 apart, marking (T0331)Q130.OE1 as missing WARNING: atoms too close: (T0331)Q130.CD and (T0331)G131.N only 0.000 apart, marking (T0331)Q130.CD as missing WARNING: atoms too close: (T0331)Q130.CG and (T0331)G131.N only 0.000 apart, marking (T0331)Q130.CG as missing WARNING: atoms too close: (T0331)Q130.CB and (T0331)G131.N only 0.000 apart, marking (T0331)Q130.CB as missing WARNING: atoms too close: (T0331)Q130.CA and (T0331)G131.N only 0.000 apart, marking (T0331)Q130.CA as missing WARNING: atoms too close: (T0331)Q130.N and (T0331)G131.N only 0.000 apart, marking (T0331)Q130.N as missing WARNING: atoms too close: (T0331)T129.C and (T0331)G131.N only 0.000 apart, marking (T0331)T129.C as missing WARNING: atoms too close: (T0331)T129.O and (T0331)G131.N only 0.000 apart, marking (T0331)T129.O as missing WARNING: atoms too close: (T0331)T129.OG1 and (T0331)G131.N only 0.000 apart, marking (T0331)T129.OG1 as missing WARNING: atoms too close: (T0331)T129.CG2 and (T0331)G131.N only 0.000 apart, marking (T0331)T129.CG2 as missing WARNING: atoms too close: (T0331)T129.CB and (T0331)G131.N only 0.000 apart, marking (T0331)T129.CB as missing WARNING: atoms too close: (T0331)T129.CA and (T0331)G131.N only 0.000 apart, marking (T0331)T129.CA as missing WARNING: atoms too close: (T0331)T129.N and (T0331)G131.N only 0.000 apart, marking (T0331)T129.N as missing WARNING: atoms too close: (T0331)L128.C and (T0331)G131.N only 0.000 apart, marking (T0331)L128.C as missing WARNING: atoms too close: (T0331)L128.O and (T0331)G131.N only 0.000 apart, marking (T0331)L128.O as missing WARNING: atoms too close: (T0331)L128.CD2 and (T0331)G131.N only 0.000 apart, marking (T0331)L128.CD2 as missing WARNING: atoms too close: (T0331)L128.CD1 and (T0331)G131.N only 0.000 apart, marking (T0331)L128.CD1 as missing WARNING: atoms too close: (T0331)L128.CG and (T0331)G131.N only 0.000 apart, marking (T0331)L128.CG as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)G131.N only 0.000 apart, marking (T0331)L128.CB as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)G131.N only 0.000 apart, marking (T0331)L128.CA as missing WARNING: atoms too close: (T0331)L128.N and (T0331)G131.N only 0.000 apart, marking (T0331)L128.N as missing WARNING: atoms too close: (T0331)S127.C and (T0331)G131.N only 0.000 apart, marking (T0331)S127.C as missing WARNING: atoms too close: (T0331)S127.O and (T0331)G131.N only 0.000 apart, marking (T0331)S127.O as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)G131.N only 0.000 apart, marking (T0331)S127.OG as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)G131.N only 0.000 apart, marking (T0331)S127.CB as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)G131.N only 0.000 apart, marking (T0331)S127.CA as missing WARNING: atoms too close: (T0331)S127.N and (T0331)G131.N only 0.000 apart, marking (T0331)S127.N as missing WARNING: atoms too close: (T0331)H126.C and (T0331)G131.N only 0.000 apart, marking (T0331)H126.C as missing WARNING: atoms too close: (T0331)H126.O and (T0331)G131.N only 0.000 apart, marking (T0331)H126.O as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)G131.N only 0.000 apart, marking (T0331)H126.NE2 as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)G131.N only 0.000 apart, marking (T0331)H126.CE1 as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)G131.N only 0.000 apart, marking (T0331)H126.ND1 as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)G131.N only 0.000 apart, marking (T0331)H126.CD2 as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)G131.N only 0.000 apart, marking (T0331)H126.CG as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)G131.N only 0.000 apart, marking (T0331)H126.CB as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)G131.N only 0.000 apart, marking (T0331)H126.CA as missing WARNING: atoms too close: (T0331)H126.N and (T0331)G131.N only 0.000 apart, marking (T0331)H126.N as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)G131.N only 0.000 apart, marking (T0331)Y125.C as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)G131.N only 0.000 apart, marking (T0331)Y125.O as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)G131.N only 0.000 apart, marking (T0331)Y125.OH as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)G131.N only 0.000 apart, marking (T0331)Y125.CZ as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)G131.N only 0.000 apart, marking (T0331)Y125.CE2 as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)G131.N only 0.000 apart, marking (T0331)Y125.CE1 as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)G131.N only 0.000 apart, marking (T0331)Y125.CD2 as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)G131.N only 0.000 apart, marking (T0331)Y125.CD1 as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)G131.N only 0.000 apart, marking (T0331)Y125.CG as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)G131.N only 0.000 apart, marking (T0331)Y125.CB as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)G131.N only 0.000 apart, marking (T0331)Y125.CA as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)G131.N only 0.000 apart, marking (T0331)Y125.N as missing WARNING: atoms too close: (T0331)F124.C and (T0331)G131.N only 0.000 apart, marking (T0331)F124.C as missing WARNING: atoms too close: (T0331)F124.O and (T0331)G131.N only 0.000 apart, marking (T0331)F124.O as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)G131.N only 0.000 apart, marking (T0331)F124.CZ as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)G131.N only 0.000 apart, marking (T0331)F124.CE2 as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)G131.N only 0.000 apart, marking (T0331)F124.CE1 as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)G131.N only 0.000 apart, marking (T0331)F124.CD2 as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)G131.N only 0.000 apart, marking (T0331)F124.CD1 as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)G131.N only 0.000 apart, marking (T0331)F124.CG as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)G131.N only 0.000 apart, marking (T0331)F124.CB as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)G131.N only 0.000 apart, marking (T0331)F124.CA as missing WARNING: atoms too close: (T0331)F124.N and (T0331)G131.N only 0.000 apart, marking (T0331)F124.N as missing WARNING: atoms too close: (T0331)G123.C and (T0331)G131.N only 0.000 apart, marking (T0331)G123.C as missing WARNING: atoms too close: (T0331)G123.O and (T0331)G131.N only 0.000 apart, marking (T0331)G123.O as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)G131.N only 0.000 apart, marking (T0331)G123.CA as missing WARNING: atoms too close: (T0331)G123.N and (T0331)G131.N only 0.000 apart, marking (T0331)G123.N as missing WARNING: atoms too close: (T0331)H122.C and (T0331)G131.N only 0.000 apart, marking (T0331)H122.C as missing WARNING: atoms too close: (T0331)H122.O and (T0331)G131.N only 0.000 apart, marking (T0331)H122.O as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)G131.N only 0.000 apart, marking (T0331)H122.NE2 as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)G131.N only 0.000 apart, marking (T0331)H122.CE1 as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)G131.N only 0.000 apart, marking (T0331)H122.ND1 as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)G131.N only 0.000 apart, marking (T0331)H122.CD2 as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)G131.N only 0.000 apart, marking (T0331)H122.CG as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)G131.N only 0.000 apart, marking (T0331)H122.CB as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)G131.N only 0.000 apart, marking (T0331)H122.CA as missing WARNING: atoms too close: (T0331)H122.N and (T0331)G131.N only 0.000 apart, marking (T0331)H122.N as missing WARNING: atoms too close: (T0331)G121.C and (T0331)G131.N only 0.000 apart, marking (T0331)G131.N as missing WARNING: atoms too close: (T0331)G131.N and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)Q130.C and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)Q130.O and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)Q130.NE2 and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)Q130.OE1 and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)Q130.CD and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)Q130.CG and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)Q130.CB and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)Q130.CA and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)Q130.N and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)T129.C and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)T129.O and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)T129.OG1 and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)T129.CG2 and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)T129.CB and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)T129.CA and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)T129.N and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)L128.C and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)L128.O and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)L128.CD2 and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)L128.CD1 and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)L128.CG and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)L128.N and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)S127.C and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)S127.O and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)S127.N and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)H126.C and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)H126.O and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)H126.N and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)F124.C and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)F124.O and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)F124.N and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)G123.C and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)G123.O and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)G123.N and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)H122.C and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)H122.O and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)H122.N and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)G121.C and (T0331)G131.CA only 0.000 apart, marking (T0331)G131.CA as missing WARNING: atoms too close: (T0331)G131.CA and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)G131.N and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)Q130.C and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)Q130.O and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)Q130.NE2 and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)Q130.OE1 and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)Q130.CD and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)Q130.CG and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)Q130.CB and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)Q130.CA and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)Q130.N and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)T129.C and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)T129.O and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)T129.OG1 and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)T129.CG2 and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)T129.CB and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)T129.CA and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)T129.N and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)L128.C and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)L128.O and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)L128.CD2 and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)L128.CD1 and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)L128.CG and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)L128.N and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)S127.C and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)S127.O and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)S127.N and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)H126.C and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)H126.O and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)H126.N and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)F124.C and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)F124.O and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)F124.N and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)G123.C and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)G123.O and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)G123.N and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)H122.C and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)H122.O and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)H122.N and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)G121.C and (T0331)G131.O only 0.000 apart, marking (T0331)G131.O as missing WARNING: atoms too close: (T0331)G131.O and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)G131.CA and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)G131.N and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)Q130.C and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)Q130.O and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)Q130.NE2 and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)Q130.OE1 and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)Q130.CD and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)Q130.CG and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)Q130.CB and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)Q130.CA and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)Q130.N and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)T129.C and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)T129.O and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)T129.OG1 and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)T129.CG2 and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)T129.CB and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)T129.CA and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)T129.N and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)L128.C and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)L128.O and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)L128.CD2 and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)L128.CD1 and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)L128.CG and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)L128.CB and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)L128.CA and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)L128.N and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)S127.C and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)S127.O and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)S127.OG and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)S127.CB and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)S127.CA and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)S127.N and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)H126.C and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)H126.O and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)H126.NE2 and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)H126.CE1 and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)H126.ND1 and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)H126.CD2 and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)H126.CG and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)H126.CB and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)H126.CA and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)H126.N and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)Y125.C and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)Y125.O and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)Y125.OH and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)Y125.CZ and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)Y125.CE2 and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)Y125.CE1 and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)Y125.CD2 and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)Y125.CD1 and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)Y125.CG and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)Y125.CB and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)Y125.CA and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)Y125.N and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)F124.C and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)F124.O and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)F124.CZ and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)F124.CE2 and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)F124.CE1 and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)F124.CD2 and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)F124.CD1 and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)F124.CG and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)F124.CB and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)F124.CA and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)F124.N and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)G123.C and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)G123.O and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)G123.CA and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)G123.N and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)H122.C and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)H122.O and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)H122.NE2 and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)H122.CE1 and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)H122.ND1 and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)H122.CD2 and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)H122.CG and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)H122.CB and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)H122.CA and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)H122.N and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing WARNING: atoms too close: (T0331)G121.C and (T0331)G131.C only 0.000 apart, marking (T0331)G131.C as missing # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_2019446801.pdb -s /var/tmp/to_scwrl_2019446801.seq -o /var/tmp/from_scwrl_2019446801.pdb > /var/tmp/scwrl_2019446801.log sh: /var/tmp/scwrl_2019446801.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2019446801.pdb or /var/tmp/from_scwrl_2019446801.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2019446801_b.pdb or decoys//var/tmp/from_scwrl_2019446801_b.pdb.gz for input Trying /var/tmp/from_scwrl_2019446801_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2019446801_b.pdb or /var/tmp/from_scwrl_2019446801_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2019446801_a.pdb or decoys//var/tmp/from_scwrl_2019446801_a.pdb.gz for input Trying /var/tmp/from_scwrl_2019446801_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2019446801_a.pdb or /var/tmp/from_scwrl_2019446801_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2019446801.pdb or /var/tmp/from_scwrl_2019446801_b.pdb or /var/tmp/from_scwrl_2019446801_a.pdb Error: no new SCWRL conformation added # naming current conformation CaspIta-FOX_TS3-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_483236672.pdb -s /var/tmp/to_scwrl_483236672.seq -o /var/tmp/from_scwrl_483236672.pdb > /var/tmp/scwrl_483236672.log sh: /var/tmp/scwrl_483236672.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_483236672.pdb or /var/tmp/from_scwrl_483236672.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_483236672_b.pdb or decoys//var/tmp/from_scwrl_483236672_b.pdb.gz for input Trying /var/tmp/from_scwrl_483236672_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_483236672_b.pdb or /var/tmp/from_scwrl_483236672_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_483236672_a.pdb or decoys//var/tmp/from_scwrl_483236672_a.pdb.gz for input Trying /var/tmp/from_scwrl_483236672_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_483236672_a.pdb or /var/tmp/from_scwrl_483236672_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_483236672.pdb or /var/tmp/from_scwrl_483236672_b.pdb or /var/tmp/from_scwrl_483236672_a.pdb Error: no new SCWRL conformation added # naming current conformation CaspIta-FOX_TS4-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS5.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_946719176.pdb -s /var/tmp/to_scwrl_946719176.seq -o /var/tmp/from_scwrl_946719176.pdb > /var/tmp/scwrl_946719176.log sh: /var/tmp/scwrl_946719176.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_946719176.pdb or /var/tmp/from_scwrl_946719176.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_946719176_b.pdb or decoys//var/tmp/from_scwrl_946719176_b.pdb.gz for input Trying /var/tmp/from_scwrl_946719176_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_946719176_b.pdb or /var/tmp/from_scwrl_946719176_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_946719176_a.pdb or decoys//var/tmp/from_scwrl_946719176_a.pdb.gz for input Trying /var/tmp/from_scwrl_946719176_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_946719176_a.pdb or /var/tmp/from_scwrl_946719176_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_946719176.pdb or /var/tmp/from_scwrl_946719176_b.pdb or /var/tmp/from_scwrl_946719176_a.pdb Error: no new SCWRL conformation added # naming current conformation CaspIta-FOX_TS5-scwrl # ReadConformPDB reading from PDB file servers/Distill_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1487171824.pdb -s /var/tmp/to_scwrl_1487171824.seq -o /var/tmp/from_scwrl_1487171824.pdb > /var/tmp/scwrl_1487171824.log sh: /var/tmp/scwrl_1487171824.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1487171824.pdb or /var/tmp/from_scwrl_1487171824.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1487171824_b.pdb or decoys//var/tmp/from_scwrl_1487171824_b.pdb.gz for input Trying /var/tmp/from_scwrl_1487171824_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1487171824_b.pdb or /var/tmp/from_scwrl_1487171824_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1487171824_a.pdb or decoys//var/tmp/from_scwrl_1487171824_a.pdb.gz for input Trying /var/tmp/from_scwrl_1487171824_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1487171824_a.pdb or /var/tmp/from_scwrl_1487171824_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1487171824.pdb or /var/tmp/from_scwrl_1487171824_b.pdb or /var/tmp/from_scwrl_1487171824_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 T0331 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_280310460.pdb -s /var/tmp/to_scwrl_280310460.seq -o /var/tmp/from_scwrl_280310460.pdb > /var/tmp/scwrl_280310460.log sh: /var/tmp/scwrl_280310460.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_280310460.pdb or /var/tmp/from_scwrl_280310460.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_280310460_b.pdb or decoys//var/tmp/from_scwrl_280310460_b.pdb.gz for input Trying /var/tmp/from_scwrl_280310460_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_280310460_b.pdb or /var/tmp/from_scwrl_280310460_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_280310460_a.pdb or decoys//var/tmp/from_scwrl_280310460_a.pdb.gz for input Trying /var/tmp/from_scwrl_280310460_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_280310460_a.pdb or /var/tmp/from_scwrl_280310460_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_280310460.pdb or /var/tmp/from_scwrl_280310460_b.pdb or /var/tmp/from_scwrl_280310460_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 T0331 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_970721782.pdb -s /var/tmp/to_scwrl_970721782.seq -o /var/tmp/from_scwrl_970721782.pdb > /var/tmp/scwrl_970721782.log sh: /var/tmp/scwrl_970721782.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_970721782.pdb or /var/tmp/from_scwrl_970721782.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_970721782_b.pdb or decoys//var/tmp/from_scwrl_970721782_b.pdb.gz for input Trying /var/tmp/from_scwrl_970721782_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_970721782_b.pdb or /var/tmp/from_scwrl_970721782_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_970721782_a.pdb or decoys//var/tmp/from_scwrl_970721782_a.pdb.gz for input Trying /var/tmp/from_scwrl_970721782_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_970721782_a.pdb or /var/tmp/from_scwrl_970721782_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_970721782.pdb or /var/tmp/from_scwrl_970721782_b.pdb or /var/tmp/from_scwrl_970721782_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 T0331 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1548685771.pdb -s /var/tmp/to_scwrl_1548685771.seq -o /var/tmp/from_scwrl_1548685771.pdb > /var/tmp/scwrl_1548685771.log sh: /var/tmp/scwrl_1548685771.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1548685771.pdb or /var/tmp/from_scwrl_1548685771.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1548685771_b.pdb or decoys//var/tmp/from_scwrl_1548685771_b.pdb.gz for input Trying /var/tmp/from_scwrl_1548685771_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1548685771_b.pdb or /var/tmp/from_scwrl_1548685771_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1548685771_a.pdb or decoys//var/tmp/from_scwrl_1548685771_a.pdb.gz for input Trying /var/tmp/from_scwrl_1548685771_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1548685771_a.pdb or /var/tmp/from_scwrl_1548685771_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1548685771.pdb or /var/tmp/from_scwrl_1548685771_b.pdb or /var/tmp/from_scwrl_1548685771_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 T0331 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1849893223.pdb -s /var/tmp/to_scwrl_1849893223.seq -o /var/tmp/from_scwrl_1849893223.pdb > /var/tmp/scwrl_1849893223.log sh: /var/tmp/scwrl_1849893223.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1849893223.pdb or /var/tmp/from_scwrl_1849893223.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1849893223_b.pdb or decoys//var/tmp/from_scwrl_1849893223_b.pdb.gz for input Trying /var/tmp/from_scwrl_1849893223_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1849893223_b.pdb or /var/tmp/from_scwrl_1849893223_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1849893223_a.pdb or decoys//var/tmp/from_scwrl_1849893223_a.pdb.gz for input Trying /var/tmp/from_scwrl_1849893223_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1849893223_a.pdb or /var/tmp/from_scwrl_1849893223_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1849893223.pdb or /var/tmp/from_scwrl_1849893223_b.pdb or /var/tmp/from_scwrl_1849893223_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 147 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_477295300.pdb -s /var/tmp/to_scwrl_477295300.seq -o /var/tmp/from_scwrl_477295300.pdb > /var/tmp/scwrl_477295300.log sh: /var/tmp/scwrl_477295300.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_477295300.pdb or /var/tmp/from_scwrl_477295300.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_477295300_b.pdb or decoys//var/tmp/from_scwrl_477295300_b.pdb.gz for input Trying /var/tmp/from_scwrl_477295300_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_477295300_b.pdb or /var/tmp/from_scwrl_477295300_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_477295300_a.pdb or decoys//var/tmp/from_scwrl_477295300_a.pdb.gz for input Trying /var/tmp/from_scwrl_477295300_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_477295300_a.pdb or /var/tmp/from_scwrl_477295300_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_477295300.pdb or /var/tmp/from_scwrl_477295300_b.pdb or /var/tmp/from_scwrl_477295300_a.pdb Error: no new SCWRL conformation added # naming current conformation FAMSD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_811111891.pdb -s /var/tmp/to_scwrl_811111891.seq -o /var/tmp/from_scwrl_811111891.pdb > /var/tmp/scwrl_811111891.log sh: /var/tmp/scwrl_811111891.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_811111891.pdb or /var/tmp/from_scwrl_811111891.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_811111891_b.pdb or decoys//var/tmp/from_scwrl_811111891_b.pdb.gz for input Trying /var/tmp/from_scwrl_811111891_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_811111891_b.pdb or /var/tmp/from_scwrl_811111891_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_811111891_a.pdb or decoys//var/tmp/from_scwrl_811111891_a.pdb.gz for input Trying /var/tmp/from_scwrl_811111891_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_811111891_a.pdb or /var/tmp/from_scwrl_811111891_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_811111891.pdb or /var/tmp/from_scwrl_811111891_b.pdb or /var/tmp/from_scwrl_811111891_a.pdb Error: no new SCWRL conformation added # naming current conformation FAMSD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1636748954.pdb -s /var/tmp/to_scwrl_1636748954.seq -o /var/tmp/from_scwrl_1636748954.pdb > /var/tmp/scwrl_1636748954.log sh: /var/tmp/scwrl_1636748954.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1636748954.pdb or /var/tmp/from_scwrl_1636748954.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1636748954_b.pdb or decoys//var/tmp/from_scwrl_1636748954_b.pdb.gz for input Trying /var/tmp/from_scwrl_1636748954_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1636748954_b.pdb or /var/tmp/from_scwrl_1636748954_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1636748954_a.pdb or decoys//var/tmp/from_scwrl_1636748954_a.pdb.gz for input Trying /var/tmp/from_scwrl_1636748954_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1636748954_a.pdb or /var/tmp/from_scwrl_1636748954_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1636748954.pdb or /var/tmp/from_scwrl_1636748954_b.pdb or /var/tmp/from_scwrl_1636748954_a.pdb Error: no new SCWRL conformation added # naming current conformation FAMSD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1204525586.pdb -s /var/tmp/to_scwrl_1204525586.seq -o /var/tmp/from_scwrl_1204525586.pdb > /var/tmp/scwrl_1204525586.log sh: /var/tmp/scwrl_1204525586.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1204525586.pdb or /var/tmp/from_scwrl_1204525586.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1204525586_b.pdb or decoys//var/tmp/from_scwrl_1204525586_b.pdb.gz for input Trying /var/tmp/from_scwrl_1204525586_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1204525586_b.pdb or /var/tmp/from_scwrl_1204525586_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1204525586_a.pdb or decoys//var/tmp/from_scwrl_1204525586_a.pdb.gz for input Trying /var/tmp/from_scwrl_1204525586_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1204525586_a.pdb or /var/tmp/from_scwrl_1204525586_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1204525586.pdb or /var/tmp/from_scwrl_1204525586_b.pdb or /var/tmp/from_scwrl_1204525586_a.pdb Error: no new SCWRL conformation added # naming current conformation FAMSD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_104805151.pdb -s /var/tmp/to_scwrl_104805151.seq -o /var/tmp/from_scwrl_104805151.pdb > /var/tmp/scwrl_104805151.log sh: /var/tmp/scwrl_104805151.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_104805151.pdb or /var/tmp/from_scwrl_104805151.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_104805151_b.pdb or decoys//var/tmp/from_scwrl_104805151_b.pdb.gz for input Trying /var/tmp/from_scwrl_104805151_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_104805151_b.pdb or /var/tmp/from_scwrl_104805151_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_104805151_a.pdb or decoys//var/tmp/from_scwrl_104805151_a.pdb.gz for input Trying /var/tmp/from_scwrl_104805151_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_104805151_a.pdb or /var/tmp/from_scwrl_104805151_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_104805151.pdb or /var/tmp/from_scwrl_104805151_b.pdb or /var/tmp/from_scwrl_104805151_a.pdb Error: no new SCWRL conformation added # naming current conformation FAMSD_TS5-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS1.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_796313177.pdb -s /var/tmp/to_scwrl_796313177.seq -o /var/tmp/from_scwrl_796313177.pdb > /var/tmp/scwrl_796313177.log sh: /var/tmp/scwrl_796313177.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_796313177.pdb or /var/tmp/from_scwrl_796313177.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_796313177_b.pdb or decoys//var/tmp/from_scwrl_796313177_b.pdb.gz for input Trying /var/tmp/from_scwrl_796313177_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_796313177_b.pdb or /var/tmp/from_scwrl_796313177_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_796313177_a.pdb or decoys//var/tmp/from_scwrl_796313177_a.pdb.gz for input Trying /var/tmp/from_scwrl_796313177_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_796313177_a.pdb or /var/tmp/from_scwrl_796313177_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_796313177.pdb or /var/tmp/from_scwrl_796313177_b.pdb or /var/tmp/from_scwrl_796313177_a.pdb Error: no new SCWRL conformation added # naming current conformation FAMS_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1503800573.pdb -s /var/tmp/to_scwrl_1503800573.seq -o /var/tmp/from_scwrl_1503800573.pdb > /var/tmp/scwrl_1503800573.log sh: /var/tmp/scwrl_1503800573.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1503800573.pdb or /var/tmp/from_scwrl_1503800573.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1503800573_b.pdb or decoys//var/tmp/from_scwrl_1503800573_b.pdb.gz for input Trying /var/tmp/from_scwrl_1503800573_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1503800573_b.pdb or /var/tmp/from_scwrl_1503800573_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1503800573_a.pdb or decoys//var/tmp/from_scwrl_1503800573_a.pdb.gz for input Trying /var/tmp/from_scwrl_1503800573_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1503800573_a.pdb or /var/tmp/from_scwrl_1503800573_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1503800573.pdb or /var/tmp/from_scwrl_1503800573_b.pdb or /var/tmp/from_scwrl_1503800573_a.pdb Error: no new SCWRL conformation added # naming current conformation FAMS_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1279282701.pdb -s /var/tmp/to_scwrl_1279282701.seq -o /var/tmp/from_scwrl_1279282701.pdb > /var/tmp/scwrl_1279282701.log sh: /var/tmp/scwrl_1279282701.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1279282701.pdb or /var/tmp/from_scwrl_1279282701.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1279282701_b.pdb or decoys//var/tmp/from_scwrl_1279282701_b.pdb.gz for input Trying /var/tmp/from_scwrl_1279282701_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1279282701_b.pdb or /var/tmp/from_scwrl_1279282701_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1279282701_a.pdb or decoys//var/tmp/from_scwrl_1279282701_a.pdb.gz for input Trying /var/tmp/from_scwrl_1279282701_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1279282701_a.pdb or /var/tmp/from_scwrl_1279282701_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1279282701.pdb or /var/tmp/from_scwrl_1279282701_b.pdb or /var/tmp/from_scwrl_1279282701_a.pdb Error: no new SCWRL conformation added # naming current conformation FAMS_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_2021487070.pdb -s /var/tmp/to_scwrl_2021487070.seq -o /var/tmp/from_scwrl_2021487070.pdb > /var/tmp/scwrl_2021487070.log sh: /var/tmp/scwrl_2021487070.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2021487070.pdb or /var/tmp/from_scwrl_2021487070.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2021487070_b.pdb or decoys//var/tmp/from_scwrl_2021487070_b.pdb.gz for input Trying /var/tmp/from_scwrl_2021487070_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2021487070_b.pdb or /var/tmp/from_scwrl_2021487070_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2021487070_a.pdb or decoys//var/tmp/from_scwrl_2021487070_a.pdb.gz for input Trying /var/tmp/from_scwrl_2021487070_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2021487070_a.pdb or /var/tmp/from_scwrl_2021487070_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2021487070.pdb or /var/tmp/from_scwrl_2021487070_b.pdb or /var/tmp/from_scwrl_2021487070_a.pdb Error: no new SCWRL conformation added # naming current conformation FAMS_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1126219533.pdb -s /var/tmp/to_scwrl_1126219533.seq -o /var/tmp/from_scwrl_1126219533.pdb > /var/tmp/scwrl_1126219533.log sh: /var/tmp/scwrl_1126219533.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1126219533.pdb or /var/tmp/from_scwrl_1126219533.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1126219533_b.pdb or decoys//var/tmp/from_scwrl_1126219533_b.pdb.gz for input Trying /var/tmp/from_scwrl_1126219533_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1126219533_b.pdb or /var/tmp/from_scwrl_1126219533_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1126219533_a.pdb or decoys//var/tmp/from_scwrl_1126219533_a.pdb.gz for input Trying /var/tmp/from_scwrl_1126219533_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1126219533_a.pdb or /var/tmp/from_scwrl_1126219533_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1126219533.pdb or /var/tmp/from_scwrl_1126219533_b.pdb or /var/tmp/from_scwrl_1126219533_a.pdb Error: no new SCWRL conformation added # naming current conformation FAMS_TS5-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS1.pdb.gz looking for model 1 # Found a chain break before 4 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_2141997438.pdb -s /var/tmp/to_scwrl_2141997438.seq -o /var/tmp/from_scwrl_2141997438.pdb > /var/tmp/scwrl_2141997438.log sh: /var/tmp/scwrl_2141997438.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2141997438.pdb or /var/tmp/from_scwrl_2141997438.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2141997438_b.pdb or decoys//var/tmp/from_scwrl_2141997438_b.pdb.gz for input Trying /var/tmp/from_scwrl_2141997438_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2141997438_b.pdb or /var/tmp/from_scwrl_2141997438_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2141997438_a.pdb or decoys//var/tmp/from_scwrl_2141997438_a.pdb.gz for input Trying /var/tmp/from_scwrl_2141997438_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2141997438_a.pdb or /var/tmp/from_scwrl_2141997438_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2141997438.pdb or /var/tmp/from_scwrl_2141997438_b.pdb or /var/tmp/from_scwrl_2141997438_a.pdb Error: no new SCWRL conformation added # naming current conformation FOLDpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS2.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_784353576.pdb -s /var/tmp/to_scwrl_784353576.seq -o /var/tmp/from_scwrl_784353576.pdb > /var/tmp/scwrl_784353576.log sh: /var/tmp/scwrl_784353576.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_784353576.pdb or /var/tmp/from_scwrl_784353576.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_784353576_b.pdb or decoys//var/tmp/from_scwrl_784353576_b.pdb.gz for input Trying /var/tmp/from_scwrl_784353576_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_784353576_b.pdb or /var/tmp/from_scwrl_784353576_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_784353576_a.pdb or decoys//var/tmp/from_scwrl_784353576_a.pdb.gz for input Trying /var/tmp/from_scwrl_784353576_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_784353576_a.pdb or /var/tmp/from_scwrl_784353576_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_784353576.pdb or /var/tmp/from_scwrl_784353576_b.pdb or /var/tmp/from_scwrl_784353576_a.pdb Error: no new SCWRL conformation added # naming current conformation FOLDpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS3.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_789182481.pdb -s /var/tmp/to_scwrl_789182481.seq -o /var/tmp/from_scwrl_789182481.pdb > /var/tmp/scwrl_789182481.log sh: /var/tmp/scwrl_789182481.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_789182481.pdb or /var/tmp/from_scwrl_789182481.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_789182481_b.pdb or decoys//var/tmp/from_scwrl_789182481_b.pdb.gz for input Trying /var/tmp/from_scwrl_789182481_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_789182481_b.pdb or /var/tmp/from_scwrl_789182481_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_789182481_a.pdb or decoys//var/tmp/from_scwrl_789182481_a.pdb.gz for input Trying /var/tmp/from_scwrl_789182481_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_789182481_a.pdb or /var/tmp/from_scwrl_789182481_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_789182481.pdb or /var/tmp/from_scwrl_789182481_b.pdb or /var/tmp/from_scwrl_789182481_a.pdb Error: no new SCWRL conformation added # naming current conformation FOLDpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS4.pdb.gz looking for model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1900747468.pdb -s /var/tmp/to_scwrl_1900747468.seq -o /var/tmp/from_scwrl_1900747468.pdb > /var/tmp/scwrl_1900747468.log sh: /var/tmp/scwrl_1900747468.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1900747468.pdb or /var/tmp/from_scwrl_1900747468.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1900747468_b.pdb or decoys//var/tmp/from_scwrl_1900747468_b.pdb.gz for input Trying /var/tmp/from_scwrl_1900747468_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1900747468_b.pdb or /var/tmp/from_scwrl_1900747468_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1900747468_a.pdb or decoys//var/tmp/from_scwrl_1900747468_a.pdb.gz for input Trying /var/tmp/from_scwrl_1900747468_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1900747468_a.pdb or /var/tmp/from_scwrl_1900747468_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1900747468.pdb or /var/tmp/from_scwrl_1900747468_b.pdb or /var/tmp/from_scwrl_1900747468_a.pdb Error: no new SCWRL conformation added # naming current conformation FOLDpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS5.pdb.gz looking for model 1 # Found a chain break before 80 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1027782059.pdb -s /var/tmp/to_scwrl_1027782059.seq -o /var/tmp/from_scwrl_1027782059.pdb > /var/tmp/scwrl_1027782059.log sh: /var/tmp/scwrl_1027782059.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1027782059.pdb or /var/tmp/from_scwrl_1027782059.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1027782059_b.pdb or decoys//var/tmp/from_scwrl_1027782059_b.pdb.gz for input Trying /var/tmp/from_scwrl_1027782059_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1027782059_b.pdb or /var/tmp/from_scwrl_1027782059_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1027782059_a.pdb or decoys//var/tmp/from_scwrl_1027782059_a.pdb.gz for input Trying /var/tmp/from_scwrl_1027782059_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1027782059_a.pdb or /var/tmp/from_scwrl_1027782059_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1027782059.pdb or /var/tmp/from_scwrl_1027782059_b.pdb or /var/tmp/from_scwrl_1027782059_a.pdb Error: no new SCWRL conformation added # naming current conformation FOLDpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL1.pdb.gz looking for model 1 Skipped atom 54, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 56, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 58, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 60, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 306, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 308, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 310, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 312, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 362, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 364, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 366, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 368, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 478, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 480, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 482, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 484, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_622718394.pdb -s /var/tmp/to_scwrl_622718394.seq -o /var/tmp/from_scwrl_622718394.pdb > /var/tmp/scwrl_622718394.log sh: /var/tmp/scwrl_622718394.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_622718394.pdb or /var/tmp/from_scwrl_622718394.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_622718394_b.pdb or decoys//var/tmp/from_scwrl_622718394_b.pdb.gz for input Trying /var/tmp/from_scwrl_622718394_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_622718394_b.pdb or /var/tmp/from_scwrl_622718394_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_622718394_a.pdb or decoys//var/tmp/from_scwrl_622718394_a.pdb.gz for input Trying /var/tmp/from_scwrl_622718394_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_622718394_a.pdb or /var/tmp/from_scwrl_622718394_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_622718394.pdb or /var/tmp/from_scwrl_622718394_b.pdb or /var/tmp/from_scwrl_622718394_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE1_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_469166261.pdb -s /var/tmp/to_scwrl_469166261.seq -o /var/tmp/from_scwrl_469166261.pdb > /var/tmp/scwrl_469166261.log sh: /var/tmp/scwrl_469166261.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_469166261.pdb or /var/tmp/from_scwrl_469166261.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_469166261_b.pdb or decoys//var/tmp/from_scwrl_469166261_b.pdb.gz for input Trying /var/tmp/from_scwrl_469166261_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_469166261_b.pdb or /var/tmp/from_scwrl_469166261_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_469166261_a.pdb or decoys//var/tmp/from_scwrl_469166261_a.pdb.gz for input Trying /var/tmp/from_scwrl_469166261_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_469166261_a.pdb or /var/tmp/from_scwrl_469166261_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_469166261.pdb or /var/tmp/from_scwrl_469166261_b.pdb or /var/tmp/from_scwrl_469166261_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE1_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL3.pdb.gz looking for model 1 Skipped atom 110, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 112, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 114, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 116, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_998586556.pdb -s /var/tmp/to_scwrl_998586556.seq -o /var/tmp/from_scwrl_998586556.pdb > /var/tmp/scwrl_998586556.log sh: /var/tmp/scwrl_998586556.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_998586556.pdb or /var/tmp/from_scwrl_998586556.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_998586556_b.pdb or decoys//var/tmp/from_scwrl_998586556_b.pdb.gz for input Trying /var/tmp/from_scwrl_998586556_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_998586556_b.pdb or /var/tmp/from_scwrl_998586556_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_998586556_a.pdb or decoys//var/tmp/from_scwrl_998586556_a.pdb.gz for input Trying /var/tmp/from_scwrl_998586556_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_998586556_a.pdb or /var/tmp/from_scwrl_998586556_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_998586556.pdb or /var/tmp/from_scwrl_998586556_b.pdb or /var/tmp/from_scwrl_998586556_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE1_AL3-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL4.pdb.gz looking for model 1 Skipped atom 142, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 144, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 146, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 148, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 295, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 312, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 321, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_193853013.pdb -s /var/tmp/to_scwrl_193853013.seq -o /var/tmp/from_scwrl_193853013.pdb > /var/tmp/scwrl_193853013.log sh: /var/tmp/scwrl_193853013.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_193853013.pdb or /var/tmp/from_scwrl_193853013.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_193853013_b.pdb or decoys//var/tmp/from_scwrl_193853013_b.pdb.gz for input Trying /var/tmp/from_scwrl_193853013_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_193853013_b.pdb or /var/tmp/from_scwrl_193853013_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_193853013_a.pdb or decoys//var/tmp/from_scwrl_193853013_a.pdb.gz for input Trying /var/tmp/from_scwrl_193853013_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_193853013_a.pdb or /var/tmp/from_scwrl_193853013_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_193853013.pdb or /var/tmp/from_scwrl_193853013_b.pdb or /var/tmp/from_scwrl_193853013_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE1_AL4-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL5.pdb.gz looking for model 1 Skipped atom 173, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 510, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_444185368.pdb -s /var/tmp/to_scwrl_444185368.seq -o /var/tmp/from_scwrl_444185368.pdb > /var/tmp/scwrl_444185368.log sh: /var/tmp/scwrl_444185368.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_444185368.pdb or /var/tmp/from_scwrl_444185368.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_444185368_b.pdb or decoys//var/tmp/from_scwrl_444185368_b.pdb.gz for input Trying /var/tmp/from_scwrl_444185368_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_444185368_b.pdb or /var/tmp/from_scwrl_444185368_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_444185368_a.pdb or decoys//var/tmp/from_scwrl_444185368_a.pdb.gz for input Trying /var/tmp/from_scwrl_444185368_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_444185368_a.pdb or /var/tmp/from_scwrl_444185368_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_444185368.pdb or /var/tmp/from_scwrl_444185368_b.pdb or /var/tmp/from_scwrl_444185368_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE1_AL5-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL1.pdb.gz looking for model 1 Skipped atom 54, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 56, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 58, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 60, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 306, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 308, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 310, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 312, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 362, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 364, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 366, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 368, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 478, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 480, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 482, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 484, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1926669339.pdb -s /var/tmp/to_scwrl_1926669339.seq -o /var/tmp/from_scwrl_1926669339.pdb > /var/tmp/scwrl_1926669339.log sh: /var/tmp/scwrl_1926669339.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1926669339.pdb or /var/tmp/from_scwrl_1926669339.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1926669339_b.pdb or decoys//var/tmp/from_scwrl_1926669339_b.pdb.gz for input Trying /var/tmp/from_scwrl_1926669339_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1926669339_b.pdb or /var/tmp/from_scwrl_1926669339_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1926669339_a.pdb or decoys//var/tmp/from_scwrl_1926669339_a.pdb.gz for input Trying /var/tmp/from_scwrl_1926669339_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1926669339_a.pdb or /var/tmp/from_scwrl_1926669339_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1926669339.pdb or /var/tmp/from_scwrl_1926669339_b.pdb or /var/tmp/from_scwrl_1926669339_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE2_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_2134003934.pdb -s /var/tmp/to_scwrl_2134003934.seq -o /var/tmp/from_scwrl_2134003934.pdb > /var/tmp/scwrl_2134003934.log sh: /var/tmp/scwrl_2134003934.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2134003934.pdb or /var/tmp/from_scwrl_2134003934.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2134003934_b.pdb or decoys//var/tmp/from_scwrl_2134003934_b.pdb.gz for input Trying /var/tmp/from_scwrl_2134003934_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2134003934_b.pdb or /var/tmp/from_scwrl_2134003934_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2134003934_a.pdb or decoys//var/tmp/from_scwrl_2134003934_a.pdb.gz for input Trying /var/tmp/from_scwrl_2134003934_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2134003934_a.pdb or /var/tmp/from_scwrl_2134003934_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2134003934.pdb or /var/tmp/from_scwrl_2134003934_b.pdb or /var/tmp/from_scwrl_2134003934_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE2_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL3.pdb.gz looking for model 1 Skipped atom 110, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 112, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 114, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 116, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1356289367.pdb -s /var/tmp/to_scwrl_1356289367.seq -o /var/tmp/from_scwrl_1356289367.pdb > /var/tmp/scwrl_1356289367.log sh: /var/tmp/scwrl_1356289367.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1356289367.pdb or /var/tmp/from_scwrl_1356289367.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1356289367_b.pdb or decoys//var/tmp/from_scwrl_1356289367_b.pdb.gz for input Trying /var/tmp/from_scwrl_1356289367_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1356289367_b.pdb or /var/tmp/from_scwrl_1356289367_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1356289367_a.pdb or decoys//var/tmp/from_scwrl_1356289367_a.pdb.gz for input Trying /var/tmp/from_scwrl_1356289367_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1356289367_a.pdb or /var/tmp/from_scwrl_1356289367_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1356289367.pdb or /var/tmp/from_scwrl_1356289367_b.pdb or /var/tmp/from_scwrl_1356289367_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE2_AL3-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL4.pdb.gz looking for model 1 Skipped atom 142, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 144, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 146, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 148, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 295, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 312, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 321, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1798632493.pdb -s /var/tmp/to_scwrl_1798632493.seq -o /var/tmp/from_scwrl_1798632493.pdb > /var/tmp/scwrl_1798632493.log sh: /var/tmp/scwrl_1798632493.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1798632493.pdb or /var/tmp/from_scwrl_1798632493.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1798632493_b.pdb or decoys//var/tmp/from_scwrl_1798632493_b.pdb.gz for input Trying /var/tmp/from_scwrl_1798632493_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1798632493_b.pdb or /var/tmp/from_scwrl_1798632493_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1798632493_a.pdb or decoys//var/tmp/from_scwrl_1798632493_a.pdb.gz for input Trying /var/tmp/from_scwrl_1798632493_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1798632493_a.pdb or /var/tmp/from_scwrl_1798632493_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1798632493.pdb or /var/tmp/from_scwrl_1798632493_b.pdb or /var/tmp/from_scwrl_1798632493_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE2_AL4-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL5.pdb.gz looking for model 1 Skipped atom 173, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 510, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_469756959.pdb -s /var/tmp/to_scwrl_469756959.seq -o /var/tmp/from_scwrl_469756959.pdb > /var/tmp/scwrl_469756959.log sh: /var/tmp/scwrl_469756959.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_469756959.pdb or /var/tmp/from_scwrl_469756959.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_469756959_b.pdb or decoys//var/tmp/from_scwrl_469756959_b.pdb.gz for input Trying /var/tmp/from_scwrl_469756959_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_469756959_b.pdb or /var/tmp/from_scwrl_469756959_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_469756959_a.pdb or decoys//var/tmp/from_scwrl_469756959_a.pdb.gz for input Trying /var/tmp/from_scwrl_469756959_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_469756959_a.pdb or /var/tmp/from_scwrl_469756959_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_469756959.pdb or /var/tmp/from_scwrl_469756959_b.pdb or /var/tmp/from_scwrl_469756959_a.pdb Error: no new SCWRL conformation added # naming current conformation FORTE2_AL5-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS1.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_155524896.pdb -s /var/tmp/to_scwrl_155524896.seq -o /var/tmp/from_scwrl_155524896.pdb > /var/tmp/scwrl_155524896.log sh: /var/tmp/scwrl_155524896.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_155524896.pdb or /var/tmp/from_scwrl_155524896.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_155524896_b.pdb or decoys//var/tmp/from_scwrl_155524896_b.pdb.gz for input Trying /var/tmp/from_scwrl_155524896_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_155524896_b.pdb or /var/tmp/from_scwrl_155524896_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_155524896_a.pdb or decoys//var/tmp/from_scwrl_155524896_a.pdb.gz for input Trying /var/tmp/from_scwrl_155524896_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_155524896_a.pdb or /var/tmp/from_scwrl_155524896_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_155524896.pdb or /var/tmp/from_scwrl_155524896_b.pdb or /var/tmp/from_scwrl_155524896_a.pdb Error: no new SCWRL conformation added # naming current conformation FPSOLVER-SERVER_TS1-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS2.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1138320670.pdb -s /var/tmp/to_scwrl_1138320670.seq -o /var/tmp/from_scwrl_1138320670.pdb > /var/tmp/scwrl_1138320670.log sh: /var/tmp/scwrl_1138320670.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1138320670.pdb or /var/tmp/from_scwrl_1138320670.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1138320670_b.pdb or decoys//var/tmp/from_scwrl_1138320670_b.pdb.gz for input Trying /var/tmp/from_scwrl_1138320670_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1138320670_b.pdb or /var/tmp/from_scwrl_1138320670_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1138320670_a.pdb or decoys//var/tmp/from_scwrl_1138320670_a.pdb.gz for input Trying /var/tmp/from_scwrl_1138320670_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1138320670_a.pdb or /var/tmp/from_scwrl_1138320670_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1138320670.pdb or /var/tmp/from_scwrl_1138320670_b.pdb or /var/tmp/from_scwrl_1138320670_a.pdb Error: no new SCWRL conformation added # naming current conformation FPSOLVER-SERVER_TS2-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS3.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_750067420.pdb -s /var/tmp/to_scwrl_750067420.seq -o /var/tmp/from_scwrl_750067420.pdb > /var/tmp/scwrl_750067420.log sh: /var/tmp/scwrl_750067420.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_750067420.pdb or /var/tmp/from_scwrl_750067420.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_750067420_b.pdb or decoys//var/tmp/from_scwrl_750067420_b.pdb.gz for input Trying /var/tmp/from_scwrl_750067420_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_750067420_b.pdb or /var/tmp/from_scwrl_750067420_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_750067420_a.pdb or decoys//var/tmp/from_scwrl_750067420_a.pdb.gz for input Trying /var/tmp/from_scwrl_750067420_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_750067420_a.pdb or /var/tmp/from_scwrl_750067420_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_750067420.pdb or /var/tmp/from_scwrl_750067420_b.pdb or /var/tmp/from_scwrl_750067420_a.pdb Error: no new SCWRL conformation added # naming current conformation FPSOLVER-SERVER_TS3-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS4.pdb.gz looking for model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1126246677.pdb -s /var/tmp/to_scwrl_1126246677.seq -o /var/tmp/from_scwrl_1126246677.pdb > /var/tmp/scwrl_1126246677.log sh: /var/tmp/scwrl_1126246677.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1126246677.pdb or /var/tmp/from_scwrl_1126246677.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1126246677_b.pdb or decoys//var/tmp/from_scwrl_1126246677_b.pdb.gz for input Trying /var/tmp/from_scwrl_1126246677_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1126246677_b.pdb or /var/tmp/from_scwrl_1126246677_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1126246677_a.pdb or decoys//var/tmp/from_scwrl_1126246677_a.pdb.gz for input Trying /var/tmp/from_scwrl_1126246677_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1126246677_a.pdb or /var/tmp/from_scwrl_1126246677_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1126246677.pdb or /var/tmp/from_scwrl_1126246677_b.pdb or /var/tmp/from_scwrl_1126246677_a.pdb Error: no new SCWRL conformation added # naming current conformation FPSOLVER-SERVER_TS4-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS5.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_539522796.pdb -s /var/tmp/to_scwrl_539522796.seq -o /var/tmp/from_scwrl_539522796.pdb > /var/tmp/scwrl_539522796.log sh: /var/tmp/scwrl_539522796.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_539522796.pdb or /var/tmp/from_scwrl_539522796.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_539522796_b.pdb or decoys//var/tmp/from_scwrl_539522796_b.pdb.gz for input Trying /var/tmp/from_scwrl_539522796_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_539522796_b.pdb or /var/tmp/from_scwrl_539522796_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_539522796_a.pdb or decoys//var/tmp/from_scwrl_539522796_a.pdb.gz for input Trying /var/tmp/from_scwrl_539522796_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_539522796_a.pdb or /var/tmp/from_scwrl_539522796_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_539522796.pdb or /var/tmp/from_scwrl_539522796_b.pdb or /var/tmp/from_scwrl_539522796_a.pdb Error: no new SCWRL conformation added # naming current conformation FPSOLVER-SERVER_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_452476996.pdb -s /var/tmp/to_scwrl_452476996.seq -o /var/tmp/from_scwrl_452476996.pdb > /var/tmp/scwrl_452476996.log sh: /var/tmp/scwrl_452476996.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_452476996.pdb or /var/tmp/from_scwrl_452476996.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_452476996_b.pdb or decoys//var/tmp/from_scwrl_452476996_b.pdb.gz for input Trying /var/tmp/from_scwrl_452476996_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_452476996_b.pdb or /var/tmp/from_scwrl_452476996_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_452476996_a.pdb or decoys//var/tmp/from_scwrl_452476996_a.pdb.gz for input Trying /var/tmp/from_scwrl_452476996_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_452476996_a.pdb or /var/tmp/from_scwrl_452476996_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_452476996.pdb or /var/tmp/from_scwrl_452476996_b.pdb or /var/tmp/from_scwrl_452476996_a.pdb Error: no new SCWRL conformation added # naming current conformation FUGMOD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1603541977.pdb -s /var/tmp/to_scwrl_1603541977.seq -o /var/tmp/from_scwrl_1603541977.pdb > /var/tmp/scwrl_1603541977.log sh: /var/tmp/scwrl_1603541977.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1603541977.pdb or /var/tmp/from_scwrl_1603541977.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1603541977_b.pdb or decoys//var/tmp/from_scwrl_1603541977_b.pdb.gz for input Trying /var/tmp/from_scwrl_1603541977_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1603541977_b.pdb or /var/tmp/from_scwrl_1603541977_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1603541977_a.pdb or decoys//var/tmp/from_scwrl_1603541977_a.pdb.gz for input Trying /var/tmp/from_scwrl_1603541977_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1603541977_a.pdb or /var/tmp/from_scwrl_1603541977_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1603541977.pdb or /var/tmp/from_scwrl_1603541977_b.pdb or /var/tmp/from_scwrl_1603541977_a.pdb Error: no new SCWRL conformation added # naming current conformation FUGMOD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1350634686.pdb -s /var/tmp/to_scwrl_1350634686.seq -o /var/tmp/from_scwrl_1350634686.pdb > /var/tmp/scwrl_1350634686.log sh: /var/tmp/scwrl_1350634686.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1350634686.pdb or /var/tmp/from_scwrl_1350634686.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1350634686_b.pdb or decoys//var/tmp/from_scwrl_1350634686_b.pdb.gz for input Trying /var/tmp/from_scwrl_1350634686_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1350634686_b.pdb or /var/tmp/from_scwrl_1350634686_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1350634686_a.pdb or decoys//var/tmp/from_scwrl_1350634686_a.pdb.gz for input Trying /var/tmp/from_scwrl_1350634686_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1350634686_a.pdb or /var/tmp/from_scwrl_1350634686_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1350634686.pdb or /var/tmp/from_scwrl_1350634686_b.pdb or /var/tmp/from_scwrl_1350634686_a.pdb Error: no new SCWRL conformation added # naming current conformation FUGMOD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_2089225950.pdb -s /var/tmp/to_scwrl_2089225950.seq -o /var/tmp/from_scwrl_2089225950.pdb > /var/tmp/scwrl_2089225950.log sh: /var/tmp/scwrl_2089225950.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2089225950.pdb or /var/tmp/from_scwrl_2089225950.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2089225950_b.pdb or decoys//var/tmp/from_scwrl_2089225950_b.pdb.gz for input Trying /var/tmp/from_scwrl_2089225950_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2089225950_b.pdb or /var/tmp/from_scwrl_2089225950_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2089225950_a.pdb or decoys//var/tmp/from_scwrl_2089225950_a.pdb.gz for input Trying /var/tmp/from_scwrl_2089225950_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2089225950_a.pdb or /var/tmp/from_scwrl_2089225950_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2089225950.pdb or /var/tmp/from_scwrl_2089225950_b.pdb or /var/tmp/from_scwrl_2089225950_a.pdb Error: no new SCWRL conformation added # naming current conformation FUGMOD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_660583918.pdb -s /var/tmp/to_scwrl_660583918.seq -o /var/tmp/from_scwrl_660583918.pdb > /var/tmp/scwrl_660583918.log sh: /var/tmp/scwrl_660583918.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_660583918.pdb or /var/tmp/from_scwrl_660583918.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_660583918_b.pdb or decoys//var/tmp/from_scwrl_660583918_b.pdb.gz for input Trying /var/tmp/from_scwrl_660583918_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_660583918_b.pdb or /var/tmp/from_scwrl_660583918_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_660583918_a.pdb or decoys//var/tmp/from_scwrl_660583918_a.pdb.gz for input Trying /var/tmp/from_scwrl_660583918_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_660583918_a.pdb or /var/tmp/from_scwrl_660583918_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_660583918.pdb or /var/tmp/from_scwrl_660583918_b.pdb or /var/tmp/from_scwrl_660583918_a.pdb Error: no new SCWRL conformation added # naming current conformation FUGMOD_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1455439837.pdb -s /var/tmp/to_scwrl_1455439837.seq -o /var/tmp/from_scwrl_1455439837.pdb > /var/tmp/scwrl_1455439837.log sh: /var/tmp/scwrl_1455439837.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1455439837.pdb or /var/tmp/from_scwrl_1455439837.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1455439837_b.pdb or decoys//var/tmp/from_scwrl_1455439837_b.pdb.gz for input Trying /var/tmp/from_scwrl_1455439837_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1455439837_b.pdb or /var/tmp/from_scwrl_1455439837_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1455439837_a.pdb or decoys//var/tmp/from_scwrl_1455439837_a.pdb.gz for input Trying /var/tmp/from_scwrl_1455439837_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1455439837_a.pdb or /var/tmp/from_scwrl_1455439837_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1455439837.pdb or /var/tmp/from_scwrl_1455439837_b.pdb or /var/tmp/from_scwrl_1455439837_a.pdb Error: no new SCWRL conformation added # naming current conformation FUGUE_AL1-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_738055481.pdb -s /var/tmp/to_scwrl_738055481.seq -o /var/tmp/from_scwrl_738055481.pdb > /var/tmp/scwrl_738055481.log sh: /var/tmp/scwrl_738055481.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_738055481.pdb or /var/tmp/from_scwrl_738055481.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_738055481_b.pdb or decoys//var/tmp/from_scwrl_738055481_b.pdb.gz for input Trying /var/tmp/from_scwrl_738055481_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_738055481_b.pdb or /var/tmp/from_scwrl_738055481_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_738055481_a.pdb or decoys//var/tmp/from_scwrl_738055481_a.pdb.gz for input Trying /var/tmp/from_scwrl_738055481_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_738055481_a.pdb or /var/tmp/from_scwrl_738055481_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_738055481.pdb or /var/tmp/from_scwrl_738055481_b.pdb or /var/tmp/from_scwrl_738055481_a.pdb Error: no new SCWRL conformation added # naming current conformation FUGUE_AL2-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_16900844.pdb -s /var/tmp/to_scwrl_16900844.seq -o /var/tmp/from_scwrl_16900844.pdb > /var/tmp/scwrl_16900844.log sh: /var/tmp/scwrl_16900844.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_16900844.pdb or /var/tmp/from_scwrl_16900844.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_16900844_b.pdb or decoys//var/tmp/from_scwrl_16900844_b.pdb.gz for input Trying /var/tmp/from_scwrl_16900844_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_16900844_b.pdb or /var/tmp/from_scwrl_16900844_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_16900844_a.pdb or decoys//var/tmp/from_scwrl_16900844_a.pdb.gz for input Trying /var/tmp/from_scwrl_16900844_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_16900844_a.pdb or /var/tmp/from_scwrl_16900844_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_16900844.pdb or /var/tmp/from_scwrl_16900844_b.pdb or /var/tmp/from_scwrl_16900844_a.pdb Error: no new SCWRL conformation added # naming current conformation FUGUE_AL3-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL4.pdb.gz looking for model 1 Skipped atom 142, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL4.pdb.gz Skipped atom 144, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL4.pdb.gz Skipped atom 146, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL4.pdb.gz Skipped atom 148, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL4.pdb.gz Skipped atom 295, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL4.pdb.gz Skipped atom 312, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL4.pdb.gz Skipped atom 321, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL4.pdb.gz # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_587238892.pdb -s /var/tmp/to_scwrl_587238892.seq -o /var/tmp/from_scwrl_587238892.pdb > /var/tmp/scwrl_587238892.log sh: /var/tmp/scwrl_587238892.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_587238892.pdb or /var/tmp/from_scwrl_587238892.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_587238892_b.pdb or decoys//var/tmp/from_scwrl_587238892_b.pdb.gz for input Trying /var/tmp/from_scwrl_587238892_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_587238892_b.pdb or /var/tmp/from_scwrl_587238892_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_587238892_a.pdb or decoys//var/tmp/from_scwrl_587238892_a.pdb.gz for input Trying /var/tmp/from_scwrl_587238892_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_587238892_a.pdb or /var/tmp/from_scwrl_587238892_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_587238892.pdb or /var/tmp/from_scwrl_587238892_b.pdb or /var/tmp/from_scwrl_587238892_a.pdb Error: no new SCWRL conformation added # naming current conformation FUGUE_AL4-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL5.pdb.gz looking for model 1 Skipped atom 110, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 112, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 114, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 116, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_612058904.pdb -s /var/tmp/to_scwrl_612058904.seq -o /var/tmp/from_scwrl_612058904.pdb > /var/tmp/scwrl_612058904.log sh: /var/tmp/scwrl_612058904.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_612058904.pdb or /var/tmp/from_scwrl_612058904.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_612058904_b.pdb or decoys//var/tmp/from_scwrl_612058904_b.pdb.gz for input Trying /var/tmp/from_scwrl_612058904_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_612058904_b.pdb or /var/tmp/from_scwrl_612058904_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_612058904_a.pdb or decoys//var/tmp/from_scwrl_612058904_a.pdb.gz for input Trying /var/tmp/from_scwrl_612058904_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_612058904_a.pdb or /var/tmp/from_scwrl_612058904_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_612058904.pdb or /var/tmp/from_scwrl_612058904_b.pdb or /var/tmp/from_scwrl_612058904_a.pdb Error: no new SCWRL conformation added # naming current conformation FUGUE_AL5-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1143120378.pdb -s /var/tmp/to_scwrl_1143120378.seq -o /var/tmp/from_scwrl_1143120378.pdb > /var/tmp/scwrl_1143120378.log sh: /var/tmp/scwrl_1143120378.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1143120378.pdb or /var/tmp/from_scwrl_1143120378.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1143120378_b.pdb or decoys//var/tmp/from_scwrl_1143120378_b.pdb.gz for input Trying /var/tmp/from_scwrl_1143120378_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1143120378_b.pdb or /var/tmp/from_scwrl_1143120378_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1143120378_a.pdb or decoys//var/tmp/from_scwrl_1143120378_a.pdb.gz for input Trying /var/tmp/from_scwrl_1143120378_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1143120378_a.pdb or /var/tmp/from_scwrl_1143120378_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1143120378.pdb or /var/tmp/from_scwrl_1143120378_b.pdb or /var/tmp/from_scwrl_1143120378_a.pdb Error: no new SCWRL conformation added # naming current conformation FUNCTION_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS2.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_581752683.pdb -s /var/tmp/to_scwrl_581752683.seq -o /var/tmp/from_scwrl_581752683.pdb > /var/tmp/scwrl_581752683.log sh: /var/tmp/scwrl_581752683.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_581752683.pdb or /var/tmp/from_scwrl_581752683.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_581752683_b.pdb or decoys//var/tmp/from_scwrl_581752683_b.pdb.gz for input Trying /var/tmp/from_scwrl_581752683_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_581752683_b.pdb or /var/tmp/from_scwrl_581752683_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_581752683_a.pdb or decoys//var/tmp/from_scwrl_581752683_a.pdb.gz for input Trying /var/tmp/from_scwrl_581752683_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_581752683_a.pdb or /var/tmp/from_scwrl_581752683_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_581752683.pdb or /var/tmp/from_scwrl_581752683_b.pdb or /var/tmp/from_scwrl_581752683_a.pdb Error: no new SCWRL conformation added # naming current conformation FUNCTION_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS3.pdb.gz looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1396412479.pdb -s /var/tmp/to_scwrl_1396412479.seq -o /var/tmp/from_scwrl_1396412479.pdb > /var/tmp/scwrl_1396412479.log sh: /var/tmp/scwrl_1396412479.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1396412479.pdb or /var/tmp/from_scwrl_1396412479.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1396412479_b.pdb or decoys//var/tmp/from_scwrl_1396412479_b.pdb.gz for input Trying /var/tmp/from_scwrl_1396412479_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1396412479_b.pdb or /var/tmp/from_scwrl_1396412479_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1396412479_a.pdb or decoys//var/tmp/from_scwrl_1396412479_a.pdb.gz for input Trying /var/tmp/from_scwrl_1396412479_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1396412479_a.pdb or /var/tmp/from_scwrl_1396412479_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1396412479.pdb or /var/tmp/from_scwrl_1396412479_b.pdb or /var/tmp/from_scwrl_1396412479_a.pdb Error: no new SCWRL conformation added # naming current conformation FUNCTION_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS4.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1932302859.pdb -s /var/tmp/to_scwrl_1932302859.seq -o /var/tmp/from_scwrl_1932302859.pdb > /var/tmp/scwrl_1932302859.log sh: /var/tmp/scwrl_1932302859.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1932302859.pdb or /var/tmp/from_scwrl_1932302859.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1932302859_b.pdb or decoys//var/tmp/from_scwrl_1932302859_b.pdb.gz for input Trying /var/tmp/from_scwrl_1932302859_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1932302859_b.pdb or /var/tmp/from_scwrl_1932302859_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1932302859_a.pdb or decoys//var/tmp/from_scwrl_1932302859_a.pdb.gz for input Trying /var/tmp/from_scwrl_1932302859_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1932302859_a.pdb or /var/tmp/from_scwrl_1932302859_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1932302859.pdb or /var/tmp/from_scwrl_1932302859_b.pdb or /var/tmp/from_scwrl_1932302859_a.pdb Error: no new SCWRL conformation added # naming current conformation FUNCTION_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS5.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_335016504.pdb -s /var/tmp/to_scwrl_335016504.seq -o /var/tmp/from_scwrl_335016504.pdb > /var/tmp/scwrl_335016504.log sh: /var/tmp/scwrl_335016504.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_335016504.pdb or /var/tmp/from_scwrl_335016504.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_335016504_b.pdb or decoys//var/tmp/from_scwrl_335016504_b.pdb.gz for input Trying /var/tmp/from_scwrl_335016504_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_335016504_b.pdb or /var/tmp/from_scwrl_335016504_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_335016504_a.pdb or decoys//var/tmp/from_scwrl_335016504_a.pdb.gz for input Trying /var/tmp/from_scwrl_335016504_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_335016504_a.pdb or /var/tmp/from_scwrl_335016504_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_335016504.pdb or /var/tmp/from_scwrl_335016504_b.pdb or /var/tmp/from_scwrl_335016504_a.pdb Error: no new SCWRL conformation added # 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 135 ; scwrl3 -i /var/tmp/to_scwrl_276710891.pdb -s /var/tmp/to_scwrl_276710891.seq -o /var/tmp/from_scwrl_276710891.pdb > /var/tmp/scwrl_276710891.log sh: /var/tmp/scwrl_276710891.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_276710891.pdb or /var/tmp/from_scwrl_276710891.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_276710891_b.pdb or decoys//var/tmp/from_scwrl_276710891_b.pdb.gz for input Trying /var/tmp/from_scwrl_276710891_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_276710891_b.pdb or /var/tmp/from_scwrl_276710891_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_276710891_a.pdb or decoys//var/tmp/from_scwrl_276710891_a.pdb.gz for input Trying /var/tmp/from_scwrl_276710891_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_276710891_a.pdb or /var/tmp/from_scwrl_276710891_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_276710891.pdb or /var/tmp/from_scwrl_276710891_b.pdb or /var/tmp/from_scwrl_276710891_a.pdb Error: no new SCWRL conformation added # 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 121 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_407537606.pdb -s /var/tmp/to_scwrl_407537606.seq -o /var/tmp/from_scwrl_407537606.pdb > /var/tmp/scwrl_407537606.log sh: /var/tmp/scwrl_407537606.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_407537606.pdb or /var/tmp/from_scwrl_407537606.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_407537606_b.pdb or decoys//var/tmp/from_scwrl_407537606_b.pdb.gz for input Trying /var/tmp/from_scwrl_407537606_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_407537606_b.pdb or /var/tmp/from_scwrl_407537606_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_407537606_a.pdb or decoys//var/tmp/from_scwrl_407537606_a.pdb.gz for input Trying /var/tmp/from_scwrl_407537606_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_407537606_a.pdb or /var/tmp/from_scwrl_407537606_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_407537606.pdb or /var/tmp/from_scwrl_407537606_b.pdb or /var/tmp/from_scwrl_407537606_a.pdb Error: no new SCWRL conformation added # 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 137 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS3 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_804182766.pdb -s /var/tmp/to_scwrl_804182766.seq -o /var/tmp/from_scwrl_804182766.pdb > /var/tmp/scwrl_804182766.log sh: /var/tmp/scwrl_804182766.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_804182766.pdb or /var/tmp/from_scwrl_804182766.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_804182766_b.pdb or decoys//var/tmp/from_scwrl_804182766_b.pdb.gz for input Trying /var/tmp/from_scwrl_804182766_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_804182766_b.pdb or /var/tmp/from_scwrl_804182766_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_804182766_a.pdb or decoys//var/tmp/from_scwrl_804182766_a.pdb.gz for input Trying /var/tmp/from_scwrl_804182766_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_804182766_a.pdb or /var/tmp/from_scwrl_804182766_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_804182766.pdb or /var/tmp/from_scwrl_804182766_b.pdb or /var/tmp/from_scwrl_804182766_a.pdb Error: no new SCWRL conformation added # 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 95 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1275297446.pdb -s /var/tmp/to_scwrl_1275297446.seq -o /var/tmp/from_scwrl_1275297446.pdb > /var/tmp/scwrl_1275297446.log sh: /var/tmp/scwrl_1275297446.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1275297446.pdb or /var/tmp/from_scwrl_1275297446.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1275297446_b.pdb or decoys//var/tmp/from_scwrl_1275297446_b.pdb.gz for input Trying /var/tmp/from_scwrl_1275297446_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1275297446_b.pdb or /var/tmp/from_scwrl_1275297446_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1275297446_a.pdb or decoys//var/tmp/from_scwrl_1275297446_a.pdb.gz for input Trying /var/tmp/from_scwrl_1275297446_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1275297446_a.pdb or /var/tmp/from_scwrl_1275297446_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1275297446.pdb or /var/tmp/from_scwrl_1275297446_b.pdb or /var/tmp/from_scwrl_1275297446_a.pdb Error: no new SCWRL conformation added # 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 95 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_601390619.pdb -s /var/tmp/to_scwrl_601390619.seq -o /var/tmp/from_scwrl_601390619.pdb > /var/tmp/scwrl_601390619.log sh: /var/tmp/scwrl_601390619.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_601390619.pdb or /var/tmp/from_scwrl_601390619.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_601390619_b.pdb or decoys//var/tmp/from_scwrl_601390619_b.pdb.gz for input Trying /var/tmp/from_scwrl_601390619_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_601390619_b.pdb or /var/tmp/from_scwrl_601390619_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_601390619_a.pdb or decoys//var/tmp/from_scwrl_601390619_a.pdb.gz for input Trying /var/tmp/from_scwrl_601390619_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_601390619_a.pdb or /var/tmp/from_scwrl_601390619_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_601390619.pdb or /var/tmp/from_scwrl_601390619_b.pdb or /var/tmp/from_scwrl_601390619_a.pdb Error: no new SCWRL conformation added # naming current conformation Frankenstein_TS5-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # Found a chain break before 8 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1248368133.pdb -s /var/tmp/to_scwrl_1248368133.seq -o /var/tmp/from_scwrl_1248368133.pdb > /var/tmp/scwrl_1248368133.log sh: /var/tmp/scwrl_1248368133.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1248368133.pdb or /var/tmp/from_scwrl_1248368133.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1248368133_b.pdb or decoys//var/tmp/from_scwrl_1248368133_b.pdb.gz for input Trying /var/tmp/from_scwrl_1248368133_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1248368133_b.pdb or /var/tmp/from_scwrl_1248368133_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1248368133_a.pdb or decoys//var/tmp/from_scwrl_1248368133_a.pdb.gz for input Trying /var/tmp/from_scwrl_1248368133_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1248368133_a.pdb or /var/tmp/from_scwrl_1248368133_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1248368133.pdb or /var/tmp/from_scwrl_1248368133_b.pdb or /var/tmp/from_scwrl_1248368133_a.pdb Error: no new SCWRL conformation added # naming current conformation GeneSilicoMetaServer_TS1-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1054483139.pdb -s /var/tmp/to_scwrl_1054483139.seq -o /var/tmp/from_scwrl_1054483139.pdb > /var/tmp/scwrl_1054483139.log sh: /var/tmp/scwrl_1054483139.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1054483139.pdb or /var/tmp/from_scwrl_1054483139.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1054483139_b.pdb or decoys//var/tmp/from_scwrl_1054483139_b.pdb.gz for input Trying /var/tmp/from_scwrl_1054483139_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1054483139_b.pdb or /var/tmp/from_scwrl_1054483139_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1054483139_a.pdb or decoys//var/tmp/from_scwrl_1054483139_a.pdb.gz for input Trying /var/tmp/from_scwrl_1054483139_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1054483139_a.pdb or /var/tmp/from_scwrl_1054483139_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1054483139.pdb or /var/tmp/from_scwrl_1054483139_b.pdb or /var/tmp/from_scwrl_1054483139_a.pdb Error: no new SCWRL conformation added # naming current conformation GeneSilicoMetaServer_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_587910906.pdb -s /var/tmp/to_scwrl_587910906.seq -o /var/tmp/from_scwrl_587910906.pdb > /var/tmp/scwrl_587910906.log sh: /var/tmp/scwrl_587910906.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_587910906.pdb or /var/tmp/from_scwrl_587910906.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_587910906_b.pdb or decoys//var/tmp/from_scwrl_587910906_b.pdb.gz for input Trying /var/tmp/from_scwrl_587910906_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_587910906_b.pdb or /var/tmp/from_scwrl_587910906_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_587910906_a.pdb or decoys//var/tmp/from_scwrl_587910906_a.pdb.gz for input Trying /var/tmp/from_scwrl_587910906_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_587910906_a.pdb or /var/tmp/from_scwrl_587910906_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_587910906.pdb or /var/tmp/from_scwrl_587910906_b.pdb or /var/tmp/from_scwrl_587910906_a.pdb Error: no new SCWRL conformation added # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_457173854.pdb -s /var/tmp/to_scwrl_457173854.seq -o /var/tmp/from_scwrl_457173854.pdb > /var/tmp/scwrl_457173854.log sh: /var/tmp/scwrl_457173854.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_457173854.pdb or /var/tmp/from_scwrl_457173854.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_457173854_b.pdb or decoys//var/tmp/from_scwrl_457173854_b.pdb.gz for input Trying /var/tmp/from_scwrl_457173854_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_457173854_b.pdb or /var/tmp/from_scwrl_457173854_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_457173854_a.pdb or decoys//var/tmp/from_scwrl_457173854_a.pdb.gz for input Trying /var/tmp/from_scwrl_457173854_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_457173854_a.pdb or /var/tmp/from_scwrl_457173854_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_457173854.pdb or /var/tmp/from_scwrl_457173854_b.pdb or /var/tmp/from_scwrl_457173854_a.pdb Error: no new SCWRL conformation added # naming current conformation GeneSilicoMetaServer_TS5-scwrl # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_705631986.pdb -s /var/tmp/to_scwrl_705631986.seq -o /var/tmp/from_scwrl_705631986.pdb > /var/tmp/scwrl_705631986.log sh: /var/tmp/scwrl_705631986.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_705631986.pdb or /var/tmp/from_scwrl_705631986.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_705631986_b.pdb or decoys//var/tmp/from_scwrl_705631986_b.pdb.gz for input Trying /var/tmp/from_scwrl_705631986_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_705631986_b.pdb or /var/tmp/from_scwrl_705631986_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_705631986_a.pdb or decoys//var/tmp/from_scwrl_705631986_a.pdb.gz for input Trying /var/tmp/from_scwrl_705631986_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_705631986_a.pdb or /var/tmp/from_scwrl_705631986_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_705631986.pdb or /var/tmp/from_scwrl_705631986_b.pdb or /var/tmp/from_scwrl_705631986_a.pdb Error: no new SCWRL conformation added # naming current conformation HHpred1_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred2_TS1.pdb.gz looking for model 1 # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1057667866.pdb -s /var/tmp/to_scwrl_1057667866.seq -o /var/tmp/from_scwrl_1057667866.pdb > /var/tmp/scwrl_1057667866.log sh: /var/tmp/scwrl_1057667866.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1057667866.pdb or /var/tmp/from_scwrl_1057667866.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1057667866_b.pdb or decoys//var/tmp/from_scwrl_1057667866_b.pdb.gz for input Trying /var/tmp/from_scwrl_1057667866_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1057667866_b.pdb or /var/tmp/from_scwrl_1057667866_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1057667866_a.pdb or decoys//var/tmp/from_scwrl_1057667866_a.pdb.gz for input Trying /var/tmp/from_scwrl_1057667866_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1057667866_a.pdb or /var/tmp/from_scwrl_1057667866_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1057667866.pdb or /var/tmp/from_scwrl_1057667866_b.pdb or /var/tmp/from_scwrl_1057667866_a.pdb Error: no new SCWRL conformation added # naming current conformation HHpred2_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred3_TS1.pdb.gz looking for model 1 # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_612698750.pdb -s /var/tmp/to_scwrl_612698750.seq -o /var/tmp/from_scwrl_612698750.pdb > /var/tmp/scwrl_612698750.log sh: /var/tmp/scwrl_612698750.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_612698750.pdb or /var/tmp/from_scwrl_612698750.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_612698750_b.pdb or decoys//var/tmp/from_scwrl_612698750_b.pdb.gz for input Trying /var/tmp/from_scwrl_612698750_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_612698750_b.pdb or /var/tmp/from_scwrl_612698750_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_612698750_a.pdb or decoys//var/tmp/from_scwrl_612698750_a.pdb.gz for input Trying /var/tmp/from_scwrl_612698750_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_612698750_a.pdb or /var/tmp/from_scwrl_612698750_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_612698750.pdb or /var/tmp/from_scwrl_612698750_b.pdb or /var/tmp/from_scwrl_612698750_a.pdb Error: no new SCWRL conformation added # naming current conformation HHpred3_TS1-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1843952656.pdb -s /var/tmp/to_scwrl_1843952656.seq -o /var/tmp/from_scwrl_1843952656.pdb > /var/tmp/scwrl_1843952656.log sh: /var/tmp/scwrl_1843952656.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1843952656.pdb or /var/tmp/from_scwrl_1843952656.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1843952656_b.pdb or decoys//var/tmp/from_scwrl_1843952656_b.pdb.gz for input Trying /var/tmp/from_scwrl_1843952656_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1843952656_b.pdb or /var/tmp/from_scwrl_1843952656_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1843952656_a.pdb or decoys//var/tmp/from_scwrl_1843952656_a.pdb.gz for input Trying /var/tmp/from_scwrl_1843952656_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1843952656_a.pdb or /var/tmp/from_scwrl_1843952656_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1843952656.pdb or /var/tmp/from_scwrl_1843952656_b.pdb or /var/tmp/from_scwrl_1843952656_a.pdb Error: no new SCWRL conformation added # naming current conformation Huber-Torda-Server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1807735285.pdb -s /var/tmp/to_scwrl_1807735285.seq -o /var/tmp/from_scwrl_1807735285.pdb > /var/tmp/scwrl_1807735285.log sh: /var/tmp/scwrl_1807735285.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1807735285.pdb or /var/tmp/from_scwrl_1807735285.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1807735285_b.pdb or decoys//var/tmp/from_scwrl_1807735285_b.pdb.gz for input Trying /var/tmp/from_scwrl_1807735285_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1807735285_b.pdb or /var/tmp/from_scwrl_1807735285_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1807735285_a.pdb or decoys//var/tmp/from_scwrl_1807735285_a.pdb.gz for input Trying /var/tmp/from_scwrl_1807735285_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1807735285_a.pdb or /var/tmp/from_scwrl_1807735285_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1807735285.pdb or /var/tmp/from_scwrl_1807735285_b.pdb or /var/tmp/from_scwrl_1807735285_a.pdb Error: no new SCWRL conformation added # naming current conformation Huber-Torda-Server_TS2-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1738945428.pdb -s /var/tmp/to_scwrl_1738945428.seq -o /var/tmp/from_scwrl_1738945428.pdb > /var/tmp/scwrl_1738945428.log sh: /var/tmp/scwrl_1738945428.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1738945428.pdb or /var/tmp/from_scwrl_1738945428.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1738945428_b.pdb or decoys//var/tmp/from_scwrl_1738945428_b.pdb.gz for input Trying /var/tmp/from_scwrl_1738945428_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1738945428_b.pdb or /var/tmp/from_scwrl_1738945428_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1738945428_a.pdb or decoys//var/tmp/from_scwrl_1738945428_a.pdb.gz for input Trying /var/tmp/from_scwrl_1738945428_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1738945428_a.pdb or /var/tmp/from_scwrl_1738945428_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1738945428.pdb or /var/tmp/from_scwrl_1738945428_b.pdb or /var/tmp/from_scwrl_1738945428_a.pdb Error: no new SCWRL conformation added # naming current conformation Huber-Torda-Server_TS3-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_235991805.pdb -s /var/tmp/to_scwrl_235991805.seq -o /var/tmp/from_scwrl_235991805.pdb > /var/tmp/scwrl_235991805.log sh: /var/tmp/scwrl_235991805.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_235991805.pdb or /var/tmp/from_scwrl_235991805.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_235991805_b.pdb or decoys//var/tmp/from_scwrl_235991805_b.pdb.gz for input Trying /var/tmp/from_scwrl_235991805_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_235991805_b.pdb or /var/tmp/from_scwrl_235991805_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_235991805_a.pdb or decoys//var/tmp/from_scwrl_235991805_a.pdb.gz for input Trying /var/tmp/from_scwrl_235991805_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_235991805_a.pdb or /var/tmp/from_scwrl_235991805_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_235991805.pdb or /var/tmp/from_scwrl_235991805_b.pdb or /var/tmp/from_scwrl_235991805_a.pdb Error: no new SCWRL conformation added # naming current conformation Huber-Torda-Server_TS4-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_112728634.pdb -s /var/tmp/to_scwrl_112728634.seq -o /var/tmp/from_scwrl_112728634.pdb > /var/tmp/scwrl_112728634.log sh: /var/tmp/scwrl_112728634.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_112728634.pdb or /var/tmp/from_scwrl_112728634.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_112728634_b.pdb or decoys//var/tmp/from_scwrl_112728634_b.pdb.gz for input Trying /var/tmp/from_scwrl_112728634_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_112728634_b.pdb or /var/tmp/from_scwrl_112728634_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_112728634_a.pdb or decoys//var/tmp/from_scwrl_112728634_a.pdb.gz for input Trying /var/tmp/from_scwrl_112728634_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_112728634_a.pdb or /var/tmp/from_scwrl_112728634_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_112728634.pdb or /var/tmp/from_scwrl_112728634_b.pdb or /var/tmp/from_scwrl_112728634_a.pdb Error: no new SCWRL conformation added # naming current conformation Huber-Torda-Server_TS5-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1195003758.pdb -s /var/tmp/to_scwrl_1195003758.seq -o /var/tmp/from_scwrl_1195003758.pdb > /var/tmp/scwrl_1195003758.log sh: /var/tmp/scwrl_1195003758.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1195003758.pdb or /var/tmp/from_scwrl_1195003758.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1195003758_b.pdb or decoys//var/tmp/from_scwrl_1195003758_b.pdb.gz for input Trying /var/tmp/from_scwrl_1195003758_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1195003758_b.pdb or /var/tmp/from_scwrl_1195003758_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1195003758_a.pdb or decoys//var/tmp/from_scwrl_1195003758_a.pdb.gz for input Trying /var/tmp/from_scwrl_1195003758_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1195003758_a.pdb or /var/tmp/from_scwrl_1195003758_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1195003758.pdb or /var/tmp/from_scwrl_1195003758_b.pdb or /var/tmp/from_scwrl_1195003758_a.pdb Error: no new SCWRL conformation added # naming current conformation LOOPP_TS1-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1586626492.pdb -s /var/tmp/to_scwrl_1586626492.seq -o /var/tmp/from_scwrl_1586626492.pdb > /var/tmp/scwrl_1586626492.log sh: /var/tmp/scwrl_1586626492.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1586626492.pdb or /var/tmp/from_scwrl_1586626492.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1586626492_b.pdb or decoys//var/tmp/from_scwrl_1586626492_b.pdb.gz for input Trying /var/tmp/from_scwrl_1586626492_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1586626492_b.pdb or /var/tmp/from_scwrl_1586626492_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1586626492_a.pdb or decoys//var/tmp/from_scwrl_1586626492_a.pdb.gz for input Trying /var/tmp/from_scwrl_1586626492_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1586626492_a.pdb or /var/tmp/from_scwrl_1586626492_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1586626492.pdb or /var/tmp/from_scwrl_1586626492_b.pdb or /var/tmp/from_scwrl_1586626492_a.pdb Error: no new SCWRL conformation added # naming current conformation LOOPP_TS2-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_54470938.pdb -s /var/tmp/to_scwrl_54470938.seq -o /var/tmp/from_scwrl_54470938.pdb > /var/tmp/scwrl_54470938.log sh: /var/tmp/scwrl_54470938.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_54470938.pdb or /var/tmp/from_scwrl_54470938.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_54470938_b.pdb or decoys//var/tmp/from_scwrl_54470938_b.pdb.gz for input Trying /var/tmp/from_scwrl_54470938_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_54470938_b.pdb or /var/tmp/from_scwrl_54470938_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_54470938_a.pdb or decoys//var/tmp/from_scwrl_54470938_a.pdb.gz for input Trying /var/tmp/from_scwrl_54470938_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_54470938_a.pdb or /var/tmp/from_scwrl_54470938_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_54470938.pdb or /var/tmp/from_scwrl_54470938_b.pdb or /var/tmp/from_scwrl_54470938_a.pdb Error: no new SCWRL conformation added # naming current conformation LOOPP_TS3-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1855587676.pdb -s /var/tmp/to_scwrl_1855587676.seq -o /var/tmp/from_scwrl_1855587676.pdb > /var/tmp/scwrl_1855587676.log sh: /var/tmp/scwrl_1855587676.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1855587676.pdb or /var/tmp/from_scwrl_1855587676.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1855587676_b.pdb or decoys//var/tmp/from_scwrl_1855587676_b.pdb.gz for input Trying /var/tmp/from_scwrl_1855587676_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1855587676_b.pdb or /var/tmp/from_scwrl_1855587676_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1855587676_a.pdb or decoys//var/tmp/from_scwrl_1855587676_a.pdb.gz for input Trying /var/tmp/from_scwrl_1855587676_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1855587676_a.pdb or /var/tmp/from_scwrl_1855587676_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1855587676.pdb or /var/tmp/from_scwrl_1855587676_b.pdb or /var/tmp/from_scwrl_1855587676_a.pdb Error: no new SCWRL conformation added # naming current conformation LOOPP_TS4-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_894582683.pdb -s /var/tmp/to_scwrl_894582683.seq -o /var/tmp/from_scwrl_894582683.pdb > /var/tmp/scwrl_894582683.log sh: /var/tmp/scwrl_894582683.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_894582683.pdb or /var/tmp/from_scwrl_894582683.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_894582683_b.pdb or decoys//var/tmp/from_scwrl_894582683_b.pdb.gz for input Trying /var/tmp/from_scwrl_894582683_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_894582683_b.pdb or /var/tmp/from_scwrl_894582683_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_894582683_a.pdb or decoys//var/tmp/from_scwrl_894582683_a.pdb.gz for input Trying /var/tmp/from_scwrl_894582683_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_894582683_a.pdb or /var/tmp/from_scwrl_894582683_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_894582683.pdb or /var/tmp/from_scwrl_894582683_b.pdb or /var/tmp/from_scwrl_894582683_a.pdb Error: no new SCWRL conformation added # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_792526419.pdb -s /var/tmp/to_scwrl_792526419.seq -o /var/tmp/from_scwrl_792526419.pdb > /var/tmp/scwrl_792526419.log sh: /var/tmp/scwrl_792526419.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_792526419.pdb or /var/tmp/from_scwrl_792526419.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_792526419_b.pdb or decoys//var/tmp/from_scwrl_792526419_b.pdb.gz for input Trying /var/tmp/from_scwrl_792526419_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_792526419_b.pdb or /var/tmp/from_scwrl_792526419_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_792526419_a.pdb or decoys//var/tmp/from_scwrl_792526419_a.pdb.gz for input Trying /var/tmp/from_scwrl_792526419_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_792526419_a.pdb or /var/tmp/from_scwrl_792526419_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_792526419.pdb or /var/tmp/from_scwrl_792526419_b.pdb or /var/tmp/from_scwrl_792526419_a.pdb Error: no new SCWRL conformation added # naming current conformation Ma-OPUS-server2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS2.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1872488521.pdb -s /var/tmp/to_scwrl_1872488521.seq -o /var/tmp/from_scwrl_1872488521.pdb > /var/tmp/scwrl_1872488521.log sh: /var/tmp/scwrl_1872488521.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1872488521.pdb or /var/tmp/from_scwrl_1872488521.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1872488521_b.pdb or decoys//var/tmp/from_scwrl_1872488521_b.pdb.gz for input Trying /var/tmp/from_scwrl_1872488521_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1872488521_b.pdb or /var/tmp/from_scwrl_1872488521_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1872488521_a.pdb or decoys//var/tmp/from_scwrl_1872488521_a.pdb.gz for input Trying /var/tmp/from_scwrl_1872488521_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1872488521_a.pdb or /var/tmp/from_scwrl_1872488521_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1872488521.pdb or /var/tmp/from_scwrl_1872488521_b.pdb or /var/tmp/from_scwrl_1872488521_a.pdb Error: no new SCWRL conformation added # naming current conformation Ma-OPUS-server2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS3.pdb.gz looking for model 1 # Found a chain break before 40 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1481821575.pdb -s /var/tmp/to_scwrl_1481821575.seq -o /var/tmp/from_scwrl_1481821575.pdb > /var/tmp/scwrl_1481821575.log sh: /var/tmp/scwrl_1481821575.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1481821575.pdb or /var/tmp/from_scwrl_1481821575.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1481821575_b.pdb or decoys//var/tmp/from_scwrl_1481821575_b.pdb.gz for input Trying /var/tmp/from_scwrl_1481821575_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1481821575_b.pdb or /var/tmp/from_scwrl_1481821575_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1481821575_a.pdb or decoys//var/tmp/from_scwrl_1481821575_a.pdb.gz for input Trying /var/tmp/from_scwrl_1481821575_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1481821575_a.pdb or /var/tmp/from_scwrl_1481821575_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1481821575.pdb or /var/tmp/from_scwrl_1481821575_b.pdb or /var/tmp/from_scwrl_1481821575_a.pdb Error: no new SCWRL conformation added # naming current conformation Ma-OPUS-server2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS4.pdb.gz looking for model 1 # Found a chain break before 63 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1404585322.pdb -s /var/tmp/to_scwrl_1404585322.seq -o /var/tmp/from_scwrl_1404585322.pdb > /var/tmp/scwrl_1404585322.log sh: /var/tmp/scwrl_1404585322.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1404585322.pdb or /var/tmp/from_scwrl_1404585322.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1404585322_b.pdb or decoys//var/tmp/from_scwrl_1404585322_b.pdb.gz for input Trying /var/tmp/from_scwrl_1404585322_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1404585322_b.pdb or /var/tmp/from_scwrl_1404585322_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1404585322_a.pdb or decoys//var/tmp/from_scwrl_1404585322_a.pdb.gz for input Trying /var/tmp/from_scwrl_1404585322_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1404585322_a.pdb or /var/tmp/from_scwrl_1404585322_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1404585322.pdb or /var/tmp/from_scwrl_1404585322_b.pdb or /var/tmp/from_scwrl_1404585322_a.pdb Error: no new SCWRL conformation added # naming current conformation Ma-OPUS-server2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS5.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_868125253.pdb -s /var/tmp/to_scwrl_868125253.seq -o /var/tmp/from_scwrl_868125253.pdb > /var/tmp/scwrl_868125253.log sh: /var/tmp/scwrl_868125253.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_868125253.pdb or /var/tmp/from_scwrl_868125253.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_868125253_b.pdb or decoys//var/tmp/from_scwrl_868125253_b.pdb.gz for input Trying /var/tmp/from_scwrl_868125253_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_868125253_b.pdb or /var/tmp/from_scwrl_868125253_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_868125253_a.pdb or decoys//var/tmp/from_scwrl_868125253_a.pdb.gz for input Trying /var/tmp/from_scwrl_868125253_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_868125253_a.pdb or /var/tmp/from_scwrl_868125253_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_868125253.pdb or /var/tmp/from_scwrl_868125253_b.pdb or /var/tmp/from_scwrl_868125253_a.pdb Error: no new SCWRL conformation added # naming current conformation Ma-OPUS-server2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_2063574258.pdb -s /var/tmp/to_scwrl_2063574258.seq -o /var/tmp/from_scwrl_2063574258.pdb > /var/tmp/scwrl_2063574258.log sh: /var/tmp/scwrl_2063574258.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2063574258.pdb or /var/tmp/from_scwrl_2063574258.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2063574258_b.pdb or decoys//var/tmp/from_scwrl_2063574258_b.pdb.gz for input Trying /var/tmp/from_scwrl_2063574258_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2063574258_b.pdb or /var/tmp/from_scwrl_2063574258_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2063574258_a.pdb or decoys//var/tmp/from_scwrl_2063574258_a.pdb.gz for input Trying /var/tmp/from_scwrl_2063574258_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2063574258_a.pdb or /var/tmp/from_scwrl_2063574258_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2063574258.pdb or /var/tmp/from_scwrl_2063574258_b.pdb or /var/tmp/from_scwrl_2063574258_a.pdb Error: no new SCWRL conformation added # naming current conformation Ma-OPUS-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS2.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_653514155.pdb -s /var/tmp/to_scwrl_653514155.seq -o /var/tmp/from_scwrl_653514155.pdb > /var/tmp/scwrl_653514155.log sh: /var/tmp/scwrl_653514155.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_653514155.pdb or /var/tmp/from_scwrl_653514155.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_653514155_b.pdb or decoys//var/tmp/from_scwrl_653514155_b.pdb.gz for input Trying /var/tmp/from_scwrl_653514155_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_653514155_b.pdb or /var/tmp/from_scwrl_653514155_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_653514155_a.pdb or decoys//var/tmp/from_scwrl_653514155_a.pdb.gz for input Trying /var/tmp/from_scwrl_653514155_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_653514155_a.pdb or /var/tmp/from_scwrl_653514155_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_653514155.pdb or /var/tmp/from_scwrl_653514155_b.pdb or /var/tmp/from_scwrl_653514155_a.pdb Error: no new SCWRL conformation added # naming current conformation Ma-OPUS-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS3.pdb.gz looking for model 1 # Found a chain break before 34 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_652944465.pdb -s /var/tmp/to_scwrl_652944465.seq -o /var/tmp/from_scwrl_652944465.pdb > /var/tmp/scwrl_652944465.log sh: /var/tmp/scwrl_652944465.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_652944465.pdb or /var/tmp/from_scwrl_652944465.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_652944465_b.pdb or decoys//var/tmp/from_scwrl_652944465_b.pdb.gz for input Trying /var/tmp/from_scwrl_652944465_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_652944465_b.pdb or /var/tmp/from_scwrl_652944465_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_652944465_a.pdb or decoys//var/tmp/from_scwrl_652944465_a.pdb.gz for input Trying /var/tmp/from_scwrl_652944465_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_652944465_a.pdb or /var/tmp/from_scwrl_652944465_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_652944465.pdb or /var/tmp/from_scwrl_652944465_b.pdb or /var/tmp/from_scwrl_652944465_a.pdb Error: no new SCWRL conformation added # naming current conformation Ma-OPUS-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS4.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_251107116.pdb -s /var/tmp/to_scwrl_251107116.seq -o /var/tmp/from_scwrl_251107116.pdb > /var/tmp/scwrl_251107116.log sh: /var/tmp/scwrl_251107116.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_251107116.pdb or /var/tmp/from_scwrl_251107116.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_251107116_b.pdb or decoys//var/tmp/from_scwrl_251107116_b.pdb.gz for input Trying /var/tmp/from_scwrl_251107116_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_251107116_b.pdb or /var/tmp/from_scwrl_251107116_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_251107116_a.pdb or decoys//var/tmp/from_scwrl_251107116_a.pdb.gz for input Trying /var/tmp/from_scwrl_251107116_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_251107116_a.pdb or /var/tmp/from_scwrl_251107116_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_251107116.pdb or /var/tmp/from_scwrl_251107116_b.pdb or /var/tmp/from_scwrl_251107116_a.pdb Error: no new SCWRL conformation added # naming current conformation Ma-OPUS-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS5.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_930225047.pdb -s /var/tmp/to_scwrl_930225047.seq -o /var/tmp/from_scwrl_930225047.pdb > /var/tmp/scwrl_930225047.log sh: /var/tmp/scwrl_930225047.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_930225047.pdb or /var/tmp/from_scwrl_930225047.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_930225047_b.pdb or decoys//var/tmp/from_scwrl_930225047_b.pdb.gz for input Trying /var/tmp/from_scwrl_930225047_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_930225047_b.pdb or /var/tmp/from_scwrl_930225047_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_930225047_a.pdb or decoys//var/tmp/from_scwrl_930225047_a.pdb.gz for input Trying /var/tmp/from_scwrl_930225047_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_930225047_a.pdb or /var/tmp/from_scwrl_930225047_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_930225047.pdb or /var/tmp/from_scwrl_930225047_b.pdb or /var/tmp/from_scwrl_930225047_a.pdb Error: no new SCWRL conformation added # naming current conformation Ma-OPUS-server_TS5-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS1.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1060482071.pdb -s /var/tmp/to_scwrl_1060482071.seq -o /var/tmp/from_scwrl_1060482071.pdb > /var/tmp/scwrl_1060482071.log sh: /var/tmp/scwrl_1060482071.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1060482071.pdb or /var/tmp/from_scwrl_1060482071.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1060482071_b.pdb or decoys//var/tmp/from_scwrl_1060482071_b.pdb.gz for input Trying /var/tmp/from_scwrl_1060482071_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1060482071_b.pdb or /var/tmp/from_scwrl_1060482071_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1060482071_a.pdb or decoys//var/tmp/from_scwrl_1060482071_a.pdb.gz for input Trying /var/tmp/from_scwrl_1060482071_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1060482071_a.pdb or /var/tmp/from_scwrl_1060482071_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1060482071.pdb or /var/tmp/from_scwrl_1060482071_b.pdb or /var/tmp/from_scwrl_1060482071_a.pdb Error: no new SCWRL conformation added # naming current conformation MetaTasser_TS1-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS2.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1055289882.pdb -s /var/tmp/to_scwrl_1055289882.seq -o /var/tmp/from_scwrl_1055289882.pdb > /var/tmp/scwrl_1055289882.log sh: /var/tmp/scwrl_1055289882.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1055289882.pdb or /var/tmp/from_scwrl_1055289882.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1055289882_b.pdb or decoys//var/tmp/from_scwrl_1055289882_b.pdb.gz for input Trying /var/tmp/from_scwrl_1055289882_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1055289882_b.pdb or /var/tmp/from_scwrl_1055289882_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1055289882_a.pdb or decoys//var/tmp/from_scwrl_1055289882_a.pdb.gz for input Trying /var/tmp/from_scwrl_1055289882_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1055289882_a.pdb or /var/tmp/from_scwrl_1055289882_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1055289882.pdb or /var/tmp/from_scwrl_1055289882_b.pdb or /var/tmp/from_scwrl_1055289882_a.pdb Error: no new SCWRL conformation added # naming current conformation MetaTasser_TS2-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS3.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_58038846.pdb -s /var/tmp/to_scwrl_58038846.seq -o /var/tmp/from_scwrl_58038846.pdb > /var/tmp/scwrl_58038846.log sh: /var/tmp/scwrl_58038846.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_58038846.pdb or /var/tmp/from_scwrl_58038846.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_58038846_b.pdb or decoys//var/tmp/from_scwrl_58038846_b.pdb.gz for input Trying /var/tmp/from_scwrl_58038846_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_58038846_b.pdb or /var/tmp/from_scwrl_58038846_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_58038846_a.pdb or decoys//var/tmp/from_scwrl_58038846_a.pdb.gz for input Trying /var/tmp/from_scwrl_58038846_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_58038846_a.pdb or /var/tmp/from_scwrl_58038846_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_58038846.pdb or /var/tmp/from_scwrl_58038846_b.pdb or /var/tmp/from_scwrl_58038846_a.pdb Error: no new SCWRL conformation added # naming current conformation MetaTasser_TS3-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS4.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1661872689.pdb -s /var/tmp/to_scwrl_1661872689.seq -o /var/tmp/from_scwrl_1661872689.pdb > /var/tmp/scwrl_1661872689.log sh: /var/tmp/scwrl_1661872689.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1661872689.pdb or /var/tmp/from_scwrl_1661872689.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1661872689_b.pdb or decoys//var/tmp/from_scwrl_1661872689_b.pdb.gz for input Trying /var/tmp/from_scwrl_1661872689_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1661872689_b.pdb or /var/tmp/from_scwrl_1661872689_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1661872689_a.pdb or decoys//var/tmp/from_scwrl_1661872689_a.pdb.gz for input Trying /var/tmp/from_scwrl_1661872689_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1661872689_a.pdb or /var/tmp/from_scwrl_1661872689_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1661872689.pdb or /var/tmp/from_scwrl_1661872689_b.pdb or /var/tmp/from_scwrl_1661872689_a.pdb Error: no new SCWRL conformation added # naming current conformation MetaTasser_TS4-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS5.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_156174368.pdb -s /var/tmp/to_scwrl_156174368.seq -o /var/tmp/from_scwrl_156174368.pdb > /var/tmp/scwrl_156174368.log sh: /var/tmp/scwrl_156174368.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_156174368.pdb or /var/tmp/from_scwrl_156174368.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_156174368_b.pdb or decoys//var/tmp/from_scwrl_156174368_b.pdb.gz for input Trying /var/tmp/from_scwrl_156174368_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_156174368_b.pdb or /var/tmp/from_scwrl_156174368_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_156174368_a.pdb or decoys//var/tmp/from_scwrl_156174368_a.pdb.gz for input Trying /var/tmp/from_scwrl_156174368_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_156174368_a.pdb or /var/tmp/from_scwrl_156174368_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_156174368.pdb or /var/tmp/from_scwrl_156174368_b.pdb or /var/tmp/from_scwrl_156174368_a.pdb Error: no new SCWRL conformation added # naming current conformation MetaTasser_TS5-scwrl # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1112521985.pdb -s /var/tmp/to_scwrl_1112521985.seq -o /var/tmp/from_scwrl_1112521985.pdb > /var/tmp/scwrl_1112521985.log sh: /var/tmp/scwrl_1112521985.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1112521985.pdb or /var/tmp/from_scwrl_1112521985.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1112521985_b.pdb or decoys//var/tmp/from_scwrl_1112521985_b.pdb.gz for input Trying /var/tmp/from_scwrl_1112521985_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1112521985_b.pdb or /var/tmp/from_scwrl_1112521985_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1112521985_a.pdb or decoys//var/tmp/from_scwrl_1112521985_a.pdb.gz for input Trying /var/tmp/from_scwrl_1112521985_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1112521985_a.pdb or /var/tmp/from_scwrl_1112521985_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1112521985.pdb or /var/tmp/from_scwrl_1112521985_b.pdb or /var/tmp/from_scwrl_1112521985_a.pdb Error: no new SCWRL conformation added # naming current conformation NN_PUT_lab_TS1-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS1.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_102299949.pdb -s /var/tmp/to_scwrl_102299949.seq -o /var/tmp/from_scwrl_102299949.pdb > /var/tmp/scwrl_102299949.log sh: /var/tmp/scwrl_102299949.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_102299949.pdb or /var/tmp/from_scwrl_102299949.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_102299949_b.pdb or decoys//var/tmp/from_scwrl_102299949_b.pdb.gz for input Trying /var/tmp/from_scwrl_102299949_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_102299949_b.pdb or /var/tmp/from_scwrl_102299949_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_102299949_a.pdb or decoys//var/tmp/from_scwrl_102299949_a.pdb.gz for input Trying /var/tmp/from_scwrl_102299949_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_102299949_a.pdb or /var/tmp/from_scwrl_102299949_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_102299949.pdb or /var/tmp/from_scwrl_102299949_b.pdb or /var/tmp/from_scwrl_102299949_a.pdb Error: no new SCWRL conformation added # naming current conformation POMYSL_TS1-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS2.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_613348222.pdb -s /var/tmp/to_scwrl_613348222.seq -o /var/tmp/from_scwrl_613348222.pdb > /var/tmp/scwrl_613348222.log sh: /var/tmp/scwrl_613348222.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_613348222.pdb or /var/tmp/from_scwrl_613348222.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_613348222_b.pdb or decoys//var/tmp/from_scwrl_613348222_b.pdb.gz for input Trying /var/tmp/from_scwrl_613348222_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_613348222_b.pdb or /var/tmp/from_scwrl_613348222_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_613348222_a.pdb or decoys//var/tmp/from_scwrl_613348222_a.pdb.gz for input Trying /var/tmp/from_scwrl_613348222_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_613348222_a.pdb or /var/tmp/from_scwrl_613348222_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_613348222.pdb or /var/tmp/from_scwrl_613348222_b.pdb or /var/tmp/from_scwrl_613348222_a.pdb Error: no new SCWRL conformation added # naming current conformation POMYSL_TS2-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS3.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1818153971.pdb -s /var/tmp/to_scwrl_1818153971.seq -o /var/tmp/from_scwrl_1818153971.pdb > /var/tmp/scwrl_1818153971.log sh: /var/tmp/scwrl_1818153971.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1818153971.pdb or /var/tmp/from_scwrl_1818153971.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1818153971_b.pdb or decoys//var/tmp/from_scwrl_1818153971_b.pdb.gz for input Trying /var/tmp/from_scwrl_1818153971_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1818153971_b.pdb or /var/tmp/from_scwrl_1818153971_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1818153971_a.pdb or decoys//var/tmp/from_scwrl_1818153971_a.pdb.gz for input Trying /var/tmp/from_scwrl_1818153971_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1818153971_a.pdb or /var/tmp/from_scwrl_1818153971_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1818153971.pdb or /var/tmp/from_scwrl_1818153971_b.pdb or /var/tmp/from_scwrl_1818153971_a.pdb Error: no new SCWRL conformation added # naming current conformation POMYSL_TS3-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS4.pdb.gz looking for model 1 WARNING: atom 1 has residue number 82 < previous residue 149 in servers/POMYSL_TS4.pdb.gz # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1159967814.pdb -s /var/tmp/to_scwrl_1159967814.seq -o /var/tmp/from_scwrl_1159967814.pdb > /var/tmp/scwrl_1159967814.log sh: /var/tmp/scwrl_1159967814.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1159967814.pdb or /var/tmp/from_scwrl_1159967814.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1159967814_b.pdb or decoys//var/tmp/from_scwrl_1159967814_b.pdb.gz for input Trying /var/tmp/from_scwrl_1159967814_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1159967814_b.pdb or /var/tmp/from_scwrl_1159967814_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1159967814_a.pdb or decoys//var/tmp/from_scwrl_1159967814_a.pdb.gz for input Trying /var/tmp/from_scwrl_1159967814_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1159967814_a.pdb or /var/tmp/from_scwrl_1159967814_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1159967814.pdb or /var/tmp/from_scwrl_1159967814_b.pdb or /var/tmp/from_scwrl_1159967814_a.pdb Error: no new SCWRL conformation added # naming current conformation POMYSL_TS4-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS5.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1226046971.pdb -s /var/tmp/to_scwrl_1226046971.seq -o /var/tmp/from_scwrl_1226046971.pdb > /var/tmp/scwrl_1226046971.log sh: /var/tmp/scwrl_1226046971.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1226046971.pdb or /var/tmp/from_scwrl_1226046971.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1226046971_b.pdb or decoys//var/tmp/from_scwrl_1226046971_b.pdb.gz for input Trying /var/tmp/from_scwrl_1226046971_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1226046971_b.pdb or /var/tmp/from_scwrl_1226046971_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1226046971_a.pdb or decoys//var/tmp/from_scwrl_1226046971_a.pdb.gz for input Trying /var/tmp/from_scwrl_1226046971_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1226046971_a.pdb or /var/tmp/from_scwrl_1226046971_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1226046971.pdb or /var/tmp/from_scwrl_1226046971_b.pdb or /var/tmp/from_scwrl_1226046971_a.pdb Error: no new SCWRL conformation added # naming current conformation POMYSL_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1514622980.pdb -s /var/tmp/to_scwrl_1514622980.seq -o /var/tmp/from_scwrl_1514622980.pdb > /var/tmp/scwrl_1514622980.log sh: /var/tmp/scwrl_1514622980.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1514622980.pdb or /var/tmp/from_scwrl_1514622980.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1514622980_b.pdb or decoys//var/tmp/from_scwrl_1514622980_b.pdb.gz for input Trying /var/tmp/from_scwrl_1514622980_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1514622980_b.pdb or /var/tmp/from_scwrl_1514622980_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1514622980_a.pdb or decoys//var/tmp/from_scwrl_1514622980_a.pdb.gz for input Trying /var/tmp/from_scwrl_1514622980_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1514622980_a.pdb or /var/tmp/from_scwrl_1514622980_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1514622980.pdb or /var/tmp/from_scwrl_1514622980_b.pdb or /var/tmp/from_scwrl_1514622980_a.pdb Error: no new SCWRL conformation added # naming current conformation PROTINFO-AB_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS2.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_820219453.pdb -s /var/tmp/to_scwrl_820219453.seq -o /var/tmp/from_scwrl_820219453.pdb > /var/tmp/scwrl_820219453.log sh: /var/tmp/scwrl_820219453.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_820219453.pdb or /var/tmp/from_scwrl_820219453.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_820219453_b.pdb or decoys//var/tmp/from_scwrl_820219453_b.pdb.gz for input Trying /var/tmp/from_scwrl_820219453_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_820219453_b.pdb or /var/tmp/from_scwrl_820219453_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_820219453_a.pdb or decoys//var/tmp/from_scwrl_820219453_a.pdb.gz for input Trying /var/tmp/from_scwrl_820219453_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_820219453_a.pdb or /var/tmp/from_scwrl_820219453_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_820219453.pdb or /var/tmp/from_scwrl_820219453_b.pdb or /var/tmp/from_scwrl_820219453_a.pdb Error: no new SCWRL conformation added # naming current conformation PROTINFO-AB_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS3.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS3 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_817508753.pdb -s /var/tmp/to_scwrl_817508753.seq -o /var/tmp/from_scwrl_817508753.pdb > /var/tmp/scwrl_817508753.log sh: /var/tmp/scwrl_817508753.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_817508753.pdb or /var/tmp/from_scwrl_817508753.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_817508753_b.pdb or decoys//var/tmp/from_scwrl_817508753_b.pdb.gz for input Trying /var/tmp/from_scwrl_817508753_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_817508753_b.pdb or /var/tmp/from_scwrl_817508753_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_817508753_a.pdb or decoys//var/tmp/from_scwrl_817508753_a.pdb.gz for input Trying /var/tmp/from_scwrl_817508753_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_817508753_a.pdb or /var/tmp/from_scwrl_817508753_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_817508753.pdb or /var/tmp/from_scwrl_817508753_b.pdb or /var/tmp/from_scwrl_817508753_a.pdb Error: no new SCWRL conformation added # naming current conformation PROTINFO-AB_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1750614786.pdb -s /var/tmp/to_scwrl_1750614786.seq -o /var/tmp/from_scwrl_1750614786.pdb > /var/tmp/scwrl_1750614786.log sh: /var/tmp/scwrl_1750614786.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1750614786.pdb or /var/tmp/from_scwrl_1750614786.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1750614786_b.pdb or decoys//var/tmp/from_scwrl_1750614786_b.pdb.gz for input Trying /var/tmp/from_scwrl_1750614786_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1750614786_b.pdb or /var/tmp/from_scwrl_1750614786_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1750614786_a.pdb or decoys//var/tmp/from_scwrl_1750614786_a.pdb.gz for input Trying /var/tmp/from_scwrl_1750614786_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1750614786_a.pdb or /var/tmp/from_scwrl_1750614786_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1750614786.pdb or /var/tmp/from_scwrl_1750614786_b.pdb or /var/tmp/from_scwrl_1750614786_a.pdb Error: no new SCWRL conformation added # naming current conformation PROTINFO-AB_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS5.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_932948087.pdb -s /var/tmp/to_scwrl_932948087.seq -o /var/tmp/from_scwrl_932948087.pdb > /var/tmp/scwrl_932948087.log sh: /var/tmp/scwrl_932948087.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_932948087.pdb or /var/tmp/from_scwrl_932948087.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_932948087_b.pdb or decoys//var/tmp/from_scwrl_932948087_b.pdb.gz for input Trying /var/tmp/from_scwrl_932948087_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_932948087_b.pdb or /var/tmp/from_scwrl_932948087_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_932948087_a.pdb or decoys//var/tmp/from_scwrl_932948087_a.pdb.gz for input Trying /var/tmp/from_scwrl_932948087_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_932948087_a.pdb or /var/tmp/from_scwrl_932948087_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_932948087.pdb or /var/tmp/from_scwrl_932948087_b.pdb or /var/tmp/from_scwrl_932948087_a.pdb Error: no new SCWRL conformation added # naming current conformation PROTINFO-AB_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_2012512512.pdb -s /var/tmp/to_scwrl_2012512512.seq -o /var/tmp/from_scwrl_2012512512.pdb > /var/tmp/scwrl_2012512512.log sh: /var/tmp/scwrl_2012512512.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2012512512.pdb or /var/tmp/from_scwrl_2012512512.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2012512512_b.pdb or decoys//var/tmp/from_scwrl_2012512512_b.pdb.gz for input Trying /var/tmp/from_scwrl_2012512512_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2012512512_b.pdb or /var/tmp/from_scwrl_2012512512_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2012512512_a.pdb or decoys//var/tmp/from_scwrl_2012512512_a.pdb.gz for input Trying /var/tmp/from_scwrl_2012512512_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2012512512_a.pdb or /var/tmp/from_scwrl_2012512512_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2012512512.pdb or /var/tmp/from_scwrl_2012512512_b.pdb or /var/tmp/from_scwrl_2012512512_a.pdb Error: no new SCWRL conformation added # naming current conformation PROTINFO_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1189757631.pdb -s /var/tmp/to_scwrl_1189757631.seq -o /var/tmp/from_scwrl_1189757631.pdb > /var/tmp/scwrl_1189757631.log sh: /var/tmp/scwrl_1189757631.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1189757631.pdb or /var/tmp/from_scwrl_1189757631.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1189757631_b.pdb or decoys//var/tmp/from_scwrl_1189757631_b.pdb.gz for input Trying /var/tmp/from_scwrl_1189757631_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1189757631_b.pdb or /var/tmp/from_scwrl_1189757631_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1189757631_a.pdb or decoys//var/tmp/from_scwrl_1189757631_a.pdb.gz for input Trying /var/tmp/from_scwrl_1189757631_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1189757631_a.pdb or /var/tmp/from_scwrl_1189757631_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1189757631.pdb or /var/tmp/from_scwrl_1189757631_b.pdb or /var/tmp/from_scwrl_1189757631_a.pdb Error: no new SCWRL conformation added # naming current conformation PROTINFO_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_987419025.pdb -s /var/tmp/to_scwrl_987419025.seq -o /var/tmp/from_scwrl_987419025.pdb > /var/tmp/scwrl_987419025.log sh: /var/tmp/scwrl_987419025.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_987419025.pdb or /var/tmp/from_scwrl_987419025.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_987419025_b.pdb or decoys//var/tmp/from_scwrl_987419025_b.pdb.gz for input Trying /var/tmp/from_scwrl_987419025_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_987419025_b.pdb or /var/tmp/from_scwrl_987419025_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_987419025_a.pdb or decoys//var/tmp/from_scwrl_987419025_a.pdb.gz for input Trying /var/tmp/from_scwrl_987419025_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_987419025_a.pdb or /var/tmp/from_scwrl_987419025_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_987419025.pdb or /var/tmp/from_scwrl_987419025_b.pdb or /var/tmp/from_scwrl_987419025_a.pdb Error: no new SCWRL conformation added # naming current conformation PROTINFO_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1720616541.pdb -s /var/tmp/to_scwrl_1720616541.seq -o /var/tmp/from_scwrl_1720616541.pdb > /var/tmp/scwrl_1720616541.log sh: /var/tmp/scwrl_1720616541.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1720616541.pdb or /var/tmp/from_scwrl_1720616541.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1720616541_b.pdb or decoys//var/tmp/from_scwrl_1720616541_b.pdb.gz for input Trying /var/tmp/from_scwrl_1720616541_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1720616541_b.pdb or /var/tmp/from_scwrl_1720616541_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1720616541_a.pdb or decoys//var/tmp/from_scwrl_1720616541_a.pdb.gz for input Trying /var/tmp/from_scwrl_1720616541_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1720616541_a.pdb or /var/tmp/from_scwrl_1720616541_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1720616541.pdb or /var/tmp/from_scwrl_1720616541_b.pdb or /var/tmp/from_scwrl_1720616541_a.pdb Error: no new SCWRL conformation added # naming current conformation PROTINFO_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_2084340314.pdb -s /var/tmp/to_scwrl_2084340314.seq -o /var/tmp/from_scwrl_2084340314.pdb > /var/tmp/scwrl_2084340314.log sh: /var/tmp/scwrl_2084340314.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2084340314.pdb or /var/tmp/from_scwrl_2084340314.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2084340314_b.pdb or decoys//var/tmp/from_scwrl_2084340314_b.pdb.gz for input Trying /var/tmp/from_scwrl_2084340314_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2084340314_b.pdb or /var/tmp/from_scwrl_2084340314_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2084340314_a.pdb or decoys//var/tmp/from_scwrl_2084340314_a.pdb.gz for input Trying /var/tmp/from_scwrl_2084340314_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2084340314_a.pdb or /var/tmp/from_scwrl_2084340314_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2084340314.pdb or /var/tmp/from_scwrl_2084340314_b.pdb or /var/tmp/from_scwrl_2084340314_a.pdb Error: no new SCWRL conformation added # naming current conformation PROTINFO_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1779945443.pdb -s /var/tmp/to_scwrl_1779945443.seq -o /var/tmp/from_scwrl_1779945443.pdb > /var/tmp/scwrl_1779945443.log sh: /var/tmp/scwrl_1779945443.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1779945443.pdb or /var/tmp/from_scwrl_1779945443.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1779945443_b.pdb or decoys//var/tmp/from_scwrl_1779945443_b.pdb.gz for input Trying /var/tmp/from_scwrl_1779945443_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1779945443_b.pdb or /var/tmp/from_scwrl_1779945443_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1779945443_a.pdb or decoys//var/tmp/from_scwrl_1779945443_a.pdb.gz for input Trying /var/tmp/from_scwrl_1779945443_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1779945443_a.pdb or /var/tmp/from_scwrl_1779945443_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1779945443.pdb or /var/tmp/from_scwrl_1779945443_b.pdb or /var/tmp/from_scwrl_1779945443_a.pdb Error: no new SCWRL conformation added # naming current conformation Pcons6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1445621415.pdb -s /var/tmp/to_scwrl_1445621415.seq -o /var/tmp/from_scwrl_1445621415.pdb > /var/tmp/scwrl_1445621415.log sh: /var/tmp/scwrl_1445621415.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1445621415.pdb or /var/tmp/from_scwrl_1445621415.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1445621415_b.pdb or decoys//var/tmp/from_scwrl_1445621415_b.pdb.gz for input Trying /var/tmp/from_scwrl_1445621415_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1445621415_b.pdb or /var/tmp/from_scwrl_1445621415_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1445621415_a.pdb or decoys//var/tmp/from_scwrl_1445621415_a.pdb.gz for input Trying /var/tmp/from_scwrl_1445621415_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1445621415_a.pdb or /var/tmp/from_scwrl_1445621415_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1445621415.pdb or /var/tmp/from_scwrl_1445621415_b.pdb or /var/tmp/from_scwrl_1445621415_a.pdb Error: no new SCWRL conformation added # naming current conformation Pcons6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1418678242.pdb -s /var/tmp/to_scwrl_1418678242.seq -o /var/tmp/from_scwrl_1418678242.pdb > /var/tmp/scwrl_1418678242.log sh: /var/tmp/scwrl_1418678242.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1418678242.pdb or /var/tmp/from_scwrl_1418678242.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1418678242_b.pdb or decoys//var/tmp/from_scwrl_1418678242_b.pdb.gz for input Trying /var/tmp/from_scwrl_1418678242_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1418678242_b.pdb or /var/tmp/from_scwrl_1418678242_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1418678242_a.pdb or decoys//var/tmp/from_scwrl_1418678242_a.pdb.gz for input Trying /var/tmp/from_scwrl_1418678242_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1418678242_a.pdb or /var/tmp/from_scwrl_1418678242_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1418678242.pdb or /var/tmp/from_scwrl_1418678242_b.pdb or /var/tmp/from_scwrl_1418678242_a.pdb Error: no new SCWRL conformation added # naming current conformation Pcons6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1037047119.pdb -s /var/tmp/to_scwrl_1037047119.seq -o /var/tmp/from_scwrl_1037047119.pdb > /var/tmp/scwrl_1037047119.log sh: /var/tmp/scwrl_1037047119.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1037047119.pdb or /var/tmp/from_scwrl_1037047119.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1037047119_b.pdb or decoys//var/tmp/from_scwrl_1037047119_b.pdb.gz for input Trying /var/tmp/from_scwrl_1037047119_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1037047119_b.pdb or /var/tmp/from_scwrl_1037047119_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1037047119_a.pdb or decoys//var/tmp/from_scwrl_1037047119_a.pdb.gz for input Trying /var/tmp/from_scwrl_1037047119_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1037047119_a.pdb or /var/tmp/from_scwrl_1037047119_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1037047119.pdb or /var/tmp/from_scwrl_1037047119_b.pdb or /var/tmp/from_scwrl_1037047119_a.pdb Error: no new SCWRL conformation added # naming current conformation Pcons6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_166263021.pdb -s /var/tmp/to_scwrl_166263021.seq -o /var/tmp/from_scwrl_166263021.pdb > /var/tmp/scwrl_166263021.log sh: /var/tmp/scwrl_166263021.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_166263021.pdb or /var/tmp/from_scwrl_166263021.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_166263021_b.pdb or decoys//var/tmp/from_scwrl_166263021_b.pdb.gz for input Trying /var/tmp/from_scwrl_166263021_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_166263021_b.pdb or /var/tmp/from_scwrl_166263021_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_166263021_a.pdb or decoys//var/tmp/from_scwrl_166263021_a.pdb.gz for input Trying /var/tmp/from_scwrl_166263021_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_166263021_a.pdb or /var/tmp/from_scwrl_166263021_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_166263021.pdb or /var/tmp/from_scwrl_166263021_b.pdb or /var/tmp/from_scwrl_166263021_a.pdb Error: no new SCWRL conformation added # naming current conformation Pcons6_TS5-scwrl # ReadConformPDB reading from PDB file servers/Phyre-1_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1334768854.pdb -s /var/tmp/to_scwrl_1334768854.seq -o /var/tmp/from_scwrl_1334768854.pdb > /var/tmp/scwrl_1334768854.log sh: /var/tmp/scwrl_1334768854.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1334768854.pdb or /var/tmp/from_scwrl_1334768854.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1334768854_b.pdb or decoys//var/tmp/from_scwrl_1334768854_b.pdb.gz for input Trying /var/tmp/from_scwrl_1334768854_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1334768854_b.pdb or /var/tmp/from_scwrl_1334768854_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1334768854_a.pdb or decoys//var/tmp/from_scwrl_1334768854_a.pdb.gz for input Trying /var/tmp/from_scwrl_1334768854_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1334768854_a.pdb or /var/tmp/from_scwrl_1334768854_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1334768854.pdb or /var/tmp/from_scwrl_1334768854_b.pdb or /var/tmp/from_scwrl_1334768854_a.pdb Error: no new SCWRL conformation added # naming current conformation Phyre-1_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS1.pdb.gz looking for model 1 # Found a chain break before 141 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1690561274.pdb -s /var/tmp/to_scwrl_1690561274.seq -o /var/tmp/from_scwrl_1690561274.pdb > /var/tmp/scwrl_1690561274.log sh: /var/tmp/scwrl_1690561274.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1690561274.pdb or /var/tmp/from_scwrl_1690561274.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1690561274_b.pdb or decoys//var/tmp/from_scwrl_1690561274_b.pdb.gz for input Trying /var/tmp/from_scwrl_1690561274_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1690561274_b.pdb or /var/tmp/from_scwrl_1690561274_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1690561274_a.pdb or decoys//var/tmp/from_scwrl_1690561274_a.pdb.gz for input Trying /var/tmp/from_scwrl_1690561274_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1690561274_a.pdb or /var/tmp/from_scwrl_1690561274_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1690561274.pdb or /var/tmp/from_scwrl_1690561274_b.pdb or /var/tmp/from_scwrl_1690561274_a.pdb Error: no new SCWRL conformation added # naming current conformation Phyre-2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_819207486.pdb -s /var/tmp/to_scwrl_819207486.seq -o /var/tmp/from_scwrl_819207486.pdb > /var/tmp/scwrl_819207486.log sh: /var/tmp/scwrl_819207486.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_819207486.pdb or /var/tmp/from_scwrl_819207486.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_819207486_b.pdb or decoys//var/tmp/from_scwrl_819207486_b.pdb.gz for input Trying /var/tmp/from_scwrl_819207486_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_819207486_b.pdb or /var/tmp/from_scwrl_819207486_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_819207486_a.pdb or decoys//var/tmp/from_scwrl_819207486_a.pdb.gz for input Trying /var/tmp/from_scwrl_819207486_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_819207486_a.pdb or /var/tmp/from_scwrl_819207486_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_819207486.pdb or /var/tmp/from_scwrl_819207486_b.pdb or /var/tmp/from_scwrl_819207486_a.pdb Error: no new SCWRL conformation added # naming current conformation Phyre-2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1585875970.pdb -s /var/tmp/to_scwrl_1585875970.seq -o /var/tmp/from_scwrl_1585875970.pdb > /var/tmp/scwrl_1585875970.log sh: /var/tmp/scwrl_1585875970.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1585875970.pdb or /var/tmp/from_scwrl_1585875970.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1585875970_b.pdb or decoys//var/tmp/from_scwrl_1585875970_b.pdb.gz for input Trying /var/tmp/from_scwrl_1585875970_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1585875970_b.pdb or /var/tmp/from_scwrl_1585875970_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1585875970_a.pdb or decoys//var/tmp/from_scwrl_1585875970_a.pdb.gz for input Trying /var/tmp/from_scwrl_1585875970_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1585875970_a.pdb or /var/tmp/from_scwrl_1585875970_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1585875970.pdb or /var/tmp/from_scwrl_1585875970_b.pdb or /var/tmp/from_scwrl_1585875970_a.pdb Error: no new SCWRL conformation added # naming current conformation Phyre-2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_473302674.pdb -s /var/tmp/to_scwrl_473302674.seq -o /var/tmp/from_scwrl_473302674.pdb > /var/tmp/scwrl_473302674.log sh: /var/tmp/scwrl_473302674.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_473302674.pdb or /var/tmp/from_scwrl_473302674.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_473302674_b.pdb or decoys//var/tmp/from_scwrl_473302674_b.pdb.gz for input Trying /var/tmp/from_scwrl_473302674_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_473302674_b.pdb or /var/tmp/from_scwrl_473302674_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_473302674_a.pdb or decoys//var/tmp/from_scwrl_473302674_a.pdb.gz for input Trying /var/tmp/from_scwrl_473302674_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_473302674_a.pdb or /var/tmp/from_scwrl_473302674_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_473302674.pdb or /var/tmp/from_scwrl_473302674_b.pdb or /var/tmp/from_scwrl_473302674_a.pdb Error: no new SCWRL conformation added # naming current conformation Phyre-2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1879689556.pdb -s /var/tmp/to_scwrl_1879689556.seq -o /var/tmp/from_scwrl_1879689556.pdb > /var/tmp/scwrl_1879689556.log sh: /var/tmp/scwrl_1879689556.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1879689556.pdb or /var/tmp/from_scwrl_1879689556.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1879689556_b.pdb or decoys//var/tmp/from_scwrl_1879689556_b.pdb.gz for input Trying /var/tmp/from_scwrl_1879689556_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1879689556_b.pdb or /var/tmp/from_scwrl_1879689556_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1879689556_a.pdb or decoys//var/tmp/from_scwrl_1879689556_a.pdb.gz for input Trying /var/tmp/from_scwrl_1879689556_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1879689556_a.pdb or /var/tmp/from_scwrl_1879689556_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1879689556.pdb or /var/tmp/from_scwrl_1879689556_b.pdb or /var/tmp/from_scwrl_1879689556_a.pdb Error: no new SCWRL conformation added # naming current conformation Phyre-2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_493682205.pdb -s /var/tmp/to_scwrl_493682205.seq -o /var/tmp/from_scwrl_493682205.pdb > /var/tmp/scwrl_493682205.log sh: /var/tmp/scwrl_493682205.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_493682205.pdb or /var/tmp/from_scwrl_493682205.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_493682205_b.pdb or decoys//var/tmp/from_scwrl_493682205_b.pdb.gz for input Trying /var/tmp/from_scwrl_493682205_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_493682205_b.pdb or /var/tmp/from_scwrl_493682205_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_493682205_a.pdb or decoys//var/tmp/from_scwrl_493682205_a.pdb.gz for input Trying /var/tmp/from_scwrl_493682205_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_493682205_a.pdb or /var/tmp/from_scwrl_493682205_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_493682205.pdb or /var/tmp/from_scwrl_493682205_b.pdb or /var/tmp/from_scwrl_493682205_a.pdb Error: no new SCWRL conformation added # naming current conformation Pmodeller6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_531341520.pdb -s /var/tmp/to_scwrl_531341520.seq -o /var/tmp/from_scwrl_531341520.pdb > /var/tmp/scwrl_531341520.log sh: /var/tmp/scwrl_531341520.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_531341520.pdb or /var/tmp/from_scwrl_531341520.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_531341520_b.pdb or decoys//var/tmp/from_scwrl_531341520_b.pdb.gz for input Trying /var/tmp/from_scwrl_531341520_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_531341520_b.pdb or /var/tmp/from_scwrl_531341520_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_531341520_a.pdb or decoys//var/tmp/from_scwrl_531341520_a.pdb.gz for input Trying /var/tmp/from_scwrl_531341520_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_531341520_a.pdb or /var/tmp/from_scwrl_531341520_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_531341520.pdb or /var/tmp/from_scwrl_531341520_b.pdb or /var/tmp/from_scwrl_531341520_a.pdb Error: no new SCWRL conformation added # naming current conformation Pmodeller6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1394078599.pdb -s /var/tmp/to_scwrl_1394078599.seq -o /var/tmp/from_scwrl_1394078599.pdb > /var/tmp/scwrl_1394078599.log sh: /var/tmp/scwrl_1394078599.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1394078599.pdb or /var/tmp/from_scwrl_1394078599.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1394078599_b.pdb or decoys//var/tmp/from_scwrl_1394078599_b.pdb.gz for input Trying /var/tmp/from_scwrl_1394078599_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1394078599_b.pdb or /var/tmp/from_scwrl_1394078599_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1394078599_a.pdb or decoys//var/tmp/from_scwrl_1394078599_a.pdb.gz for input Trying /var/tmp/from_scwrl_1394078599_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1394078599_a.pdb or /var/tmp/from_scwrl_1394078599_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1394078599.pdb or /var/tmp/from_scwrl_1394078599_b.pdb or /var/tmp/from_scwrl_1394078599_a.pdb Error: no new SCWRL conformation added # naming current conformation Pmodeller6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_649856573.pdb -s /var/tmp/to_scwrl_649856573.seq -o /var/tmp/from_scwrl_649856573.pdb > /var/tmp/scwrl_649856573.log sh: /var/tmp/scwrl_649856573.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_649856573.pdb or /var/tmp/from_scwrl_649856573.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_649856573_b.pdb or decoys//var/tmp/from_scwrl_649856573_b.pdb.gz for input Trying /var/tmp/from_scwrl_649856573_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_649856573_b.pdb or /var/tmp/from_scwrl_649856573_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_649856573_a.pdb or decoys//var/tmp/from_scwrl_649856573_a.pdb.gz for input Trying /var/tmp/from_scwrl_649856573_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_649856573_a.pdb or /var/tmp/from_scwrl_649856573_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_649856573.pdb or /var/tmp/from_scwrl_649856573_b.pdb or /var/tmp/from_scwrl_649856573_a.pdb Error: no new SCWRL conformation added # naming current conformation Pmodeller6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1643863505.pdb -s /var/tmp/to_scwrl_1643863505.seq -o /var/tmp/from_scwrl_1643863505.pdb > /var/tmp/scwrl_1643863505.log sh: /var/tmp/scwrl_1643863505.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1643863505.pdb or /var/tmp/from_scwrl_1643863505.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1643863505_b.pdb or decoys//var/tmp/from_scwrl_1643863505_b.pdb.gz for input Trying /var/tmp/from_scwrl_1643863505_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1643863505_b.pdb or /var/tmp/from_scwrl_1643863505_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1643863505_a.pdb or decoys//var/tmp/from_scwrl_1643863505_a.pdb.gz for input Trying /var/tmp/from_scwrl_1643863505_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1643863505_a.pdb or /var/tmp/from_scwrl_1643863505_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1643863505.pdb or /var/tmp/from_scwrl_1643863505_b.pdb or /var/tmp/from_scwrl_1643863505_a.pdb Error: no new SCWRL conformation added # naming current conformation Pmodeller6_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS1.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1496378548.pdb -s /var/tmp/to_scwrl_1496378548.seq -o /var/tmp/from_scwrl_1496378548.pdb > /var/tmp/scwrl_1496378548.log sh: /var/tmp/scwrl_1496378548.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1496378548.pdb or /var/tmp/from_scwrl_1496378548.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1496378548_b.pdb or decoys//var/tmp/from_scwrl_1496378548_b.pdb.gz for input Trying /var/tmp/from_scwrl_1496378548_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1496378548_b.pdb or /var/tmp/from_scwrl_1496378548_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1496378548_a.pdb or decoys//var/tmp/from_scwrl_1496378548_a.pdb.gz for input Trying /var/tmp/from_scwrl_1496378548_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1496378548_a.pdb or /var/tmp/from_scwrl_1496378548_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1496378548.pdb or /var/tmp/from_scwrl_1496378548_b.pdb or /var/tmp/from_scwrl_1496378548_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTOR-ACE_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS2.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1263204794.pdb -s /var/tmp/to_scwrl_1263204794.seq -o /var/tmp/from_scwrl_1263204794.pdb > /var/tmp/scwrl_1263204794.log sh: /var/tmp/scwrl_1263204794.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1263204794.pdb or /var/tmp/from_scwrl_1263204794.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1263204794_b.pdb or decoys//var/tmp/from_scwrl_1263204794_b.pdb.gz for input Trying /var/tmp/from_scwrl_1263204794_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1263204794_b.pdb or /var/tmp/from_scwrl_1263204794_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1263204794_a.pdb or decoys//var/tmp/from_scwrl_1263204794_a.pdb.gz for input Trying /var/tmp/from_scwrl_1263204794_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1263204794_a.pdb or /var/tmp/from_scwrl_1263204794_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1263204794.pdb or /var/tmp/from_scwrl_1263204794_b.pdb or /var/tmp/from_scwrl_1263204794_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTOR-ACE_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS3.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1314533829.pdb -s /var/tmp/to_scwrl_1314533829.seq -o /var/tmp/from_scwrl_1314533829.pdb > /var/tmp/scwrl_1314533829.log sh: /var/tmp/scwrl_1314533829.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1314533829.pdb or /var/tmp/from_scwrl_1314533829.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1314533829_b.pdb or decoys//var/tmp/from_scwrl_1314533829_b.pdb.gz for input Trying /var/tmp/from_scwrl_1314533829_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1314533829_b.pdb or /var/tmp/from_scwrl_1314533829_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1314533829_a.pdb or decoys//var/tmp/from_scwrl_1314533829_a.pdb.gz for input Trying /var/tmp/from_scwrl_1314533829_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1314533829_a.pdb or /var/tmp/from_scwrl_1314533829_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1314533829.pdb or /var/tmp/from_scwrl_1314533829_b.pdb or /var/tmp/from_scwrl_1314533829_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTOR-ACE_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS4.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_508862716.pdb -s /var/tmp/to_scwrl_508862716.seq -o /var/tmp/from_scwrl_508862716.pdb > /var/tmp/scwrl_508862716.log sh: /var/tmp/scwrl_508862716.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_508862716.pdb or /var/tmp/from_scwrl_508862716.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_508862716_b.pdb or decoys//var/tmp/from_scwrl_508862716_b.pdb.gz for input Trying /var/tmp/from_scwrl_508862716_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_508862716_b.pdb or /var/tmp/from_scwrl_508862716_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_508862716_a.pdb or decoys//var/tmp/from_scwrl_508862716_a.pdb.gz for input Trying /var/tmp/from_scwrl_508862716_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_508862716_a.pdb or /var/tmp/from_scwrl_508862716_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_508862716.pdb or /var/tmp/from_scwrl_508862716_b.pdb or /var/tmp/from_scwrl_508862716_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTOR-ACE_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS5.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_341768119.pdb -s /var/tmp/to_scwrl_341768119.seq -o /var/tmp/from_scwrl_341768119.pdb > /var/tmp/scwrl_341768119.log sh: /var/tmp/scwrl_341768119.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_341768119.pdb or /var/tmp/from_scwrl_341768119.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_341768119_b.pdb or decoys//var/tmp/from_scwrl_341768119_b.pdb.gz for input Trying /var/tmp/from_scwrl_341768119_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_341768119_b.pdb or /var/tmp/from_scwrl_341768119_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_341768119_a.pdb or decoys//var/tmp/from_scwrl_341768119_a.pdb.gz for input Trying /var/tmp/from_scwrl_341768119_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_341768119_a.pdb or /var/tmp/from_scwrl_341768119_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_341768119.pdb or /var/tmp/from_scwrl_341768119_b.pdb or /var/tmp/from_scwrl_341768119_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTOR-ACE_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS1.pdb.gz looking for model 1 # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_681673164.pdb -s /var/tmp/to_scwrl_681673164.seq -o /var/tmp/from_scwrl_681673164.pdb > /var/tmp/scwrl_681673164.log sh: /var/tmp/scwrl_681673164.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_681673164.pdb or /var/tmp/from_scwrl_681673164.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_681673164_b.pdb or decoys//var/tmp/from_scwrl_681673164_b.pdb.gz for input Trying /var/tmp/from_scwrl_681673164_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_681673164_b.pdb or /var/tmp/from_scwrl_681673164_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_681673164_a.pdb or decoys//var/tmp/from_scwrl_681673164_a.pdb.gz for input Trying /var/tmp/from_scwrl_681673164_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_681673164_a.pdb or /var/tmp/from_scwrl_681673164_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_681673164.pdb or /var/tmp/from_scwrl_681673164_b.pdb or /var/tmp/from_scwrl_681673164_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTORESS_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS2.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1329082168.pdb -s /var/tmp/to_scwrl_1329082168.seq -o /var/tmp/from_scwrl_1329082168.pdb > /var/tmp/scwrl_1329082168.log sh: /var/tmp/scwrl_1329082168.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1329082168.pdb or /var/tmp/from_scwrl_1329082168.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1329082168_b.pdb or decoys//var/tmp/from_scwrl_1329082168_b.pdb.gz for input Trying /var/tmp/from_scwrl_1329082168_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1329082168_b.pdb or /var/tmp/from_scwrl_1329082168_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1329082168_a.pdb or decoys//var/tmp/from_scwrl_1329082168_a.pdb.gz for input Trying /var/tmp/from_scwrl_1329082168_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1329082168_a.pdb or /var/tmp/from_scwrl_1329082168_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1329082168.pdb or /var/tmp/from_scwrl_1329082168_b.pdb or /var/tmp/from_scwrl_1329082168_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTORESS_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS3.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1159276872.pdb -s /var/tmp/to_scwrl_1159276872.seq -o /var/tmp/from_scwrl_1159276872.pdb > /var/tmp/scwrl_1159276872.log sh: /var/tmp/scwrl_1159276872.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1159276872.pdb or /var/tmp/from_scwrl_1159276872.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1159276872_b.pdb or decoys//var/tmp/from_scwrl_1159276872_b.pdb.gz for input Trying /var/tmp/from_scwrl_1159276872_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1159276872_b.pdb or /var/tmp/from_scwrl_1159276872_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1159276872_a.pdb or decoys//var/tmp/from_scwrl_1159276872_a.pdb.gz for input Trying /var/tmp/from_scwrl_1159276872_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1159276872_a.pdb or /var/tmp/from_scwrl_1159276872_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1159276872.pdb or /var/tmp/from_scwrl_1159276872_b.pdb or /var/tmp/from_scwrl_1159276872_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTORESS_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS4.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_284804303.pdb -s /var/tmp/to_scwrl_284804303.seq -o /var/tmp/from_scwrl_284804303.pdb > /var/tmp/scwrl_284804303.log sh: /var/tmp/scwrl_284804303.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_284804303.pdb or /var/tmp/from_scwrl_284804303.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_284804303_b.pdb or decoys//var/tmp/from_scwrl_284804303_b.pdb.gz for input Trying /var/tmp/from_scwrl_284804303_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_284804303_b.pdb or /var/tmp/from_scwrl_284804303_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_284804303_a.pdb or decoys//var/tmp/from_scwrl_284804303_a.pdb.gz for input Trying /var/tmp/from_scwrl_284804303_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_284804303_a.pdb or /var/tmp/from_scwrl_284804303_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_284804303.pdb or /var/tmp/from_scwrl_284804303_b.pdb or /var/tmp/from_scwrl_284804303_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTORESS_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS5.pdb.gz looking for model 1 # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_114546608.pdb -s /var/tmp/to_scwrl_114546608.seq -o /var/tmp/from_scwrl_114546608.pdb > /var/tmp/scwrl_114546608.log sh: /var/tmp/scwrl_114546608.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_114546608.pdb or /var/tmp/from_scwrl_114546608.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_114546608_b.pdb or decoys//var/tmp/from_scwrl_114546608_b.pdb.gz for input Trying /var/tmp/from_scwrl_114546608_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_114546608_b.pdb or /var/tmp/from_scwrl_114546608_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_114546608_a.pdb or decoys//var/tmp/from_scwrl_114546608_a.pdb.gz for input Trying /var/tmp/from_scwrl_114546608_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_114546608_a.pdb or /var/tmp/from_scwrl_114546608_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_114546608.pdb or /var/tmp/from_scwrl_114546608_b.pdb or /var/tmp/from_scwrl_114546608_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTORESS_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS1.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1024305738.pdb -s /var/tmp/to_scwrl_1024305738.seq -o /var/tmp/from_scwrl_1024305738.pdb > /var/tmp/scwrl_1024305738.log sh: /var/tmp/scwrl_1024305738.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1024305738.pdb or /var/tmp/from_scwrl_1024305738.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1024305738_b.pdb or decoys//var/tmp/from_scwrl_1024305738_b.pdb.gz for input Trying /var/tmp/from_scwrl_1024305738_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1024305738_b.pdb or /var/tmp/from_scwrl_1024305738_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1024305738_a.pdb or decoys//var/tmp/from_scwrl_1024305738_a.pdb.gz for input Trying /var/tmp/from_scwrl_1024305738_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1024305738_a.pdb or /var/tmp/from_scwrl_1024305738_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1024305738.pdb or /var/tmp/from_scwrl_1024305738_b.pdb or /var/tmp/from_scwrl_1024305738_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTOR_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS2.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1474561934.pdb -s /var/tmp/to_scwrl_1474561934.seq -o /var/tmp/from_scwrl_1474561934.pdb > /var/tmp/scwrl_1474561934.log sh: /var/tmp/scwrl_1474561934.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1474561934.pdb or /var/tmp/from_scwrl_1474561934.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1474561934_b.pdb or decoys//var/tmp/from_scwrl_1474561934_b.pdb.gz for input Trying /var/tmp/from_scwrl_1474561934_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1474561934_b.pdb or /var/tmp/from_scwrl_1474561934_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1474561934_a.pdb or decoys//var/tmp/from_scwrl_1474561934_a.pdb.gz for input Trying /var/tmp/from_scwrl_1474561934_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1474561934_a.pdb or /var/tmp/from_scwrl_1474561934_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1474561934.pdb or /var/tmp/from_scwrl_1474561934_b.pdb or /var/tmp/from_scwrl_1474561934_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTOR_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS3.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1101965633.pdb -s /var/tmp/to_scwrl_1101965633.seq -o /var/tmp/from_scwrl_1101965633.pdb > /var/tmp/scwrl_1101965633.log sh: /var/tmp/scwrl_1101965633.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1101965633.pdb or /var/tmp/from_scwrl_1101965633.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1101965633_b.pdb or decoys//var/tmp/from_scwrl_1101965633_b.pdb.gz for input Trying /var/tmp/from_scwrl_1101965633_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1101965633_b.pdb or /var/tmp/from_scwrl_1101965633_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1101965633_a.pdb or decoys//var/tmp/from_scwrl_1101965633_a.pdb.gz for input Trying /var/tmp/from_scwrl_1101965633_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1101965633_a.pdb or /var/tmp/from_scwrl_1101965633_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1101965633.pdb or /var/tmp/from_scwrl_1101965633_b.pdb or /var/tmp/from_scwrl_1101965633_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTOR_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS4.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_597438632.pdb -s /var/tmp/to_scwrl_597438632.seq -o /var/tmp/from_scwrl_597438632.pdb > /var/tmp/scwrl_597438632.log sh: /var/tmp/scwrl_597438632.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_597438632.pdb or /var/tmp/from_scwrl_597438632.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_597438632_b.pdb or decoys//var/tmp/from_scwrl_597438632_b.pdb.gz for input Trying /var/tmp/from_scwrl_597438632_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_597438632_b.pdb or /var/tmp/from_scwrl_597438632_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_597438632_a.pdb or decoys//var/tmp/from_scwrl_597438632_a.pdb.gz for input Trying /var/tmp/from_scwrl_597438632_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_597438632_a.pdb or /var/tmp/from_scwrl_597438632_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_597438632.pdb or /var/tmp/from_scwrl_597438632_b.pdb or /var/tmp/from_scwrl_597438632_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTOR_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS5.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1411418601.pdb -s /var/tmp/to_scwrl_1411418601.seq -o /var/tmp/from_scwrl_1411418601.pdb > /var/tmp/scwrl_1411418601.log sh: /var/tmp/scwrl_1411418601.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1411418601.pdb or /var/tmp/from_scwrl_1411418601.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1411418601_b.pdb or decoys//var/tmp/from_scwrl_1411418601_b.pdb.gz for input Trying /var/tmp/from_scwrl_1411418601_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1411418601_b.pdb or /var/tmp/from_scwrl_1411418601_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1411418601_a.pdb or decoys//var/tmp/from_scwrl_1411418601_a.pdb.gz for input Trying /var/tmp/from_scwrl_1411418601_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1411418601_a.pdb or /var/tmp/from_scwrl_1411418601_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1411418601.pdb or /var/tmp/from_scwrl_1411418601_b.pdb or /var/tmp/from_scwrl_1411418601_a.pdb Error: no new SCWRL conformation added # naming current conformation RAPTOR_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS1.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_734427430.pdb -s /var/tmp/to_scwrl_734427430.seq -o /var/tmp/from_scwrl_734427430.pdb > /var/tmp/scwrl_734427430.log sh: /var/tmp/scwrl_734427430.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_734427430.pdb or /var/tmp/from_scwrl_734427430.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_734427430_b.pdb or decoys//var/tmp/from_scwrl_734427430_b.pdb.gz for input Trying /var/tmp/from_scwrl_734427430_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_734427430_b.pdb or /var/tmp/from_scwrl_734427430_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_734427430_a.pdb or decoys//var/tmp/from_scwrl_734427430_a.pdb.gz for input Trying /var/tmp/from_scwrl_734427430_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_734427430_a.pdb or /var/tmp/from_scwrl_734427430_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_734427430.pdb or /var/tmp/from_scwrl_734427430_b.pdb or /var/tmp/from_scwrl_734427430_a.pdb Error: no new SCWRL conformation added # naming current conformation ROBETTA_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS2.pdb.gz looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_2043060048.pdb -s /var/tmp/to_scwrl_2043060048.seq -o /var/tmp/from_scwrl_2043060048.pdb > /var/tmp/scwrl_2043060048.log sh: /var/tmp/scwrl_2043060048.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2043060048.pdb or /var/tmp/from_scwrl_2043060048.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2043060048_b.pdb or decoys//var/tmp/from_scwrl_2043060048_b.pdb.gz for input Trying /var/tmp/from_scwrl_2043060048_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2043060048_b.pdb or /var/tmp/from_scwrl_2043060048_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2043060048_a.pdb or decoys//var/tmp/from_scwrl_2043060048_a.pdb.gz for input Trying /var/tmp/from_scwrl_2043060048_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2043060048_a.pdb or /var/tmp/from_scwrl_2043060048_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2043060048.pdb or /var/tmp/from_scwrl_2043060048_b.pdb or /var/tmp/from_scwrl_2043060048_a.pdb Error: no new SCWRL conformation added # naming current conformation ROBETTA_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS3.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_682613198.pdb -s /var/tmp/to_scwrl_682613198.seq -o /var/tmp/from_scwrl_682613198.pdb > /var/tmp/scwrl_682613198.log sh: /var/tmp/scwrl_682613198.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_682613198.pdb or /var/tmp/from_scwrl_682613198.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_682613198_b.pdb or decoys//var/tmp/from_scwrl_682613198_b.pdb.gz for input Trying /var/tmp/from_scwrl_682613198_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_682613198_b.pdb or /var/tmp/from_scwrl_682613198_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_682613198_a.pdb or decoys//var/tmp/from_scwrl_682613198_a.pdb.gz for input Trying /var/tmp/from_scwrl_682613198_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_682613198_a.pdb or /var/tmp/from_scwrl_682613198_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_682613198.pdb or /var/tmp/from_scwrl_682613198_b.pdb or /var/tmp/from_scwrl_682613198_a.pdb Error: no new SCWRL conformation added # naming current conformation ROBETTA_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS4.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1771474549.pdb -s /var/tmp/to_scwrl_1771474549.seq -o /var/tmp/from_scwrl_1771474549.pdb > /var/tmp/scwrl_1771474549.log sh: /var/tmp/scwrl_1771474549.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1771474549.pdb or /var/tmp/from_scwrl_1771474549.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1771474549_b.pdb or decoys//var/tmp/from_scwrl_1771474549_b.pdb.gz for input Trying /var/tmp/from_scwrl_1771474549_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1771474549_b.pdb or /var/tmp/from_scwrl_1771474549_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1771474549_a.pdb or decoys//var/tmp/from_scwrl_1771474549_a.pdb.gz for input Trying /var/tmp/from_scwrl_1771474549_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1771474549_a.pdb or /var/tmp/from_scwrl_1771474549_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1771474549.pdb or /var/tmp/from_scwrl_1771474549_b.pdb or /var/tmp/from_scwrl_1771474549_a.pdb Error: no new SCWRL conformation added # naming current conformation ROBETTA_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS5.pdb.gz looking for model 1 # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_61839422.pdb -s /var/tmp/to_scwrl_61839422.seq -o /var/tmp/from_scwrl_61839422.pdb > /var/tmp/scwrl_61839422.log sh: /var/tmp/scwrl_61839422.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_61839422.pdb or /var/tmp/from_scwrl_61839422.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_61839422_b.pdb or decoys//var/tmp/from_scwrl_61839422_b.pdb.gz for input Trying /var/tmp/from_scwrl_61839422_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_61839422_b.pdb or /var/tmp/from_scwrl_61839422_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_61839422_a.pdb or decoys//var/tmp/from_scwrl_61839422_a.pdb.gz for input Trying /var/tmp/from_scwrl_61839422_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_61839422_a.pdb or /var/tmp/from_scwrl_61839422_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_61839422.pdb or /var/tmp/from_scwrl_61839422_b.pdb or /var/tmp/from_scwrl_61839422_a.pdb Error: no new SCWRL conformation added # naming current conformation ROBETTA_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_2017382052.pdb -s /var/tmp/to_scwrl_2017382052.seq -o /var/tmp/from_scwrl_2017382052.pdb > /var/tmp/scwrl_2017382052.log sh: /var/tmp/scwrl_2017382052.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2017382052.pdb or /var/tmp/from_scwrl_2017382052.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2017382052_b.pdb or decoys//var/tmp/from_scwrl_2017382052_b.pdb.gz for input Trying /var/tmp/from_scwrl_2017382052_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2017382052_b.pdb or /var/tmp/from_scwrl_2017382052_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2017382052_a.pdb or decoys//var/tmp/from_scwrl_2017382052_a.pdb.gz for input Trying /var/tmp/from_scwrl_2017382052_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2017382052_a.pdb or /var/tmp/from_scwrl_2017382052_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2017382052.pdb or /var/tmp/from_scwrl_2017382052_b.pdb or /var/tmp/from_scwrl_2017382052_a.pdb Error: no new SCWRL conformation added # naming current conformation ROKKY_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1314552176.pdb -s /var/tmp/to_scwrl_1314552176.seq -o /var/tmp/from_scwrl_1314552176.pdb > /var/tmp/scwrl_1314552176.log sh: /var/tmp/scwrl_1314552176.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1314552176.pdb or /var/tmp/from_scwrl_1314552176.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1314552176_b.pdb or decoys//var/tmp/from_scwrl_1314552176_b.pdb.gz for input Trying /var/tmp/from_scwrl_1314552176_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1314552176_b.pdb or /var/tmp/from_scwrl_1314552176_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1314552176_a.pdb or decoys//var/tmp/from_scwrl_1314552176_a.pdb.gz for input Trying /var/tmp/from_scwrl_1314552176_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1314552176_a.pdb or /var/tmp/from_scwrl_1314552176_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1314552176.pdb or /var/tmp/from_scwrl_1314552176_b.pdb or /var/tmp/from_scwrl_1314552176_a.pdb Error: no new SCWRL conformation added # naming current conformation ROKKY_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_881046909.pdb -s /var/tmp/to_scwrl_881046909.seq -o /var/tmp/from_scwrl_881046909.pdb > /var/tmp/scwrl_881046909.log sh: /var/tmp/scwrl_881046909.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_881046909.pdb or /var/tmp/from_scwrl_881046909.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_881046909_b.pdb or decoys//var/tmp/from_scwrl_881046909_b.pdb.gz for input Trying /var/tmp/from_scwrl_881046909_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_881046909_b.pdb or /var/tmp/from_scwrl_881046909_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_881046909_a.pdb or decoys//var/tmp/from_scwrl_881046909_a.pdb.gz for input Trying /var/tmp/from_scwrl_881046909_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_881046909_a.pdb or /var/tmp/from_scwrl_881046909_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_881046909.pdb or /var/tmp/from_scwrl_881046909_b.pdb or /var/tmp/from_scwrl_881046909_a.pdb Error: no new SCWRL conformation added # naming current conformation ROKKY_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1455774375.pdb -s /var/tmp/to_scwrl_1455774375.seq -o /var/tmp/from_scwrl_1455774375.pdb > /var/tmp/scwrl_1455774375.log sh: /var/tmp/scwrl_1455774375.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1455774375.pdb or /var/tmp/from_scwrl_1455774375.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1455774375_b.pdb or decoys//var/tmp/from_scwrl_1455774375_b.pdb.gz for input Trying /var/tmp/from_scwrl_1455774375_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1455774375_b.pdb or /var/tmp/from_scwrl_1455774375_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1455774375_a.pdb or decoys//var/tmp/from_scwrl_1455774375_a.pdb.gz for input Trying /var/tmp/from_scwrl_1455774375_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1455774375_a.pdb or /var/tmp/from_scwrl_1455774375_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1455774375.pdb or /var/tmp/from_scwrl_1455774375_b.pdb or /var/tmp/from_scwrl_1455774375_a.pdb Error: no new SCWRL conformation added # naming current conformation ROKKY_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1787854850.pdb -s /var/tmp/to_scwrl_1787854850.seq -o /var/tmp/from_scwrl_1787854850.pdb > /var/tmp/scwrl_1787854850.log sh: /var/tmp/scwrl_1787854850.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1787854850.pdb or /var/tmp/from_scwrl_1787854850.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1787854850_b.pdb or decoys//var/tmp/from_scwrl_1787854850_b.pdb.gz for input Trying /var/tmp/from_scwrl_1787854850_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1787854850_b.pdb or /var/tmp/from_scwrl_1787854850_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1787854850_a.pdb or decoys//var/tmp/from_scwrl_1787854850_a.pdb.gz for input Trying /var/tmp/from_scwrl_1787854850_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1787854850_a.pdb or /var/tmp/from_scwrl_1787854850_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1787854850.pdb or /var/tmp/from_scwrl_1787854850_b.pdb or /var/tmp/from_scwrl_1787854850_a.pdb Error: no new SCWRL conformation added # naming current conformation ROKKY_TS5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_613252818.pdb -s /var/tmp/to_scwrl_613252818.seq -o /var/tmp/from_scwrl_613252818.pdb > /var/tmp/scwrl_613252818.log sh: /var/tmp/scwrl_613252818.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_613252818.pdb or /var/tmp/from_scwrl_613252818.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_613252818_b.pdb or decoys//var/tmp/from_scwrl_613252818_b.pdb.gz for input Trying /var/tmp/from_scwrl_613252818_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_613252818_b.pdb or /var/tmp/from_scwrl_613252818_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_613252818_a.pdb or decoys//var/tmp/from_scwrl_613252818_a.pdb.gz for input Trying /var/tmp/from_scwrl_613252818_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_613252818_a.pdb or /var/tmp/from_scwrl_613252818_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_613252818.pdb or /var/tmp/from_scwrl_613252818_b.pdb or /var/tmp/from_scwrl_613252818_a.pdb Error: no new SCWRL conformation added # naming current conformation SAM-T02_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1949456580.pdb -s /var/tmp/to_scwrl_1949456580.seq -o /var/tmp/from_scwrl_1949456580.pdb > /var/tmp/scwrl_1949456580.log sh: /var/tmp/scwrl_1949456580.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1949456580.pdb or /var/tmp/from_scwrl_1949456580.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1949456580_b.pdb or decoys//var/tmp/from_scwrl_1949456580_b.pdb.gz for input Trying /var/tmp/from_scwrl_1949456580_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1949456580_b.pdb or /var/tmp/from_scwrl_1949456580_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1949456580_a.pdb or decoys//var/tmp/from_scwrl_1949456580_a.pdb.gz for input Trying /var/tmp/from_scwrl_1949456580_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1949456580_a.pdb or /var/tmp/from_scwrl_1949456580_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1949456580.pdb or /var/tmp/from_scwrl_1949456580_b.pdb or /var/tmp/from_scwrl_1949456580_a.pdb Error: no new SCWRL conformation added # naming current conformation SAM-T02_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_171712723.pdb -s /var/tmp/to_scwrl_171712723.seq -o /var/tmp/from_scwrl_171712723.pdb > /var/tmp/scwrl_171712723.log sh: /var/tmp/scwrl_171712723.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_171712723.pdb or /var/tmp/from_scwrl_171712723.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_171712723_b.pdb or decoys//var/tmp/from_scwrl_171712723_b.pdb.gz for input Trying /var/tmp/from_scwrl_171712723_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_171712723_b.pdb or /var/tmp/from_scwrl_171712723_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_171712723_a.pdb or decoys//var/tmp/from_scwrl_171712723_a.pdb.gz for input Trying /var/tmp/from_scwrl_171712723_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_171712723_a.pdb or /var/tmp/from_scwrl_171712723_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_171712723.pdb or /var/tmp/from_scwrl_171712723_b.pdb or /var/tmp/from_scwrl_171712723_a.pdb Error: no new SCWRL conformation added # naming current conformation SAM-T02_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_2007331417.pdb -s /var/tmp/to_scwrl_2007331417.seq -o /var/tmp/from_scwrl_2007331417.pdb > /var/tmp/scwrl_2007331417.log sh: /var/tmp/scwrl_2007331417.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2007331417.pdb or /var/tmp/from_scwrl_2007331417.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2007331417_b.pdb or decoys//var/tmp/from_scwrl_2007331417_b.pdb.gz for input Trying /var/tmp/from_scwrl_2007331417_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2007331417_b.pdb or /var/tmp/from_scwrl_2007331417_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2007331417_a.pdb or decoys//var/tmp/from_scwrl_2007331417_a.pdb.gz for input Trying /var/tmp/from_scwrl_2007331417_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2007331417_a.pdb or /var/tmp/from_scwrl_2007331417_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2007331417.pdb or /var/tmp/from_scwrl_2007331417_b.pdb or /var/tmp/from_scwrl_2007331417_a.pdb Error: no new SCWRL conformation added # naming current conformation SAM-T02_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_451829506.pdb -s /var/tmp/to_scwrl_451829506.seq -o /var/tmp/from_scwrl_451829506.pdb > /var/tmp/scwrl_451829506.log sh: /var/tmp/scwrl_451829506.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_451829506.pdb or /var/tmp/from_scwrl_451829506.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_451829506_b.pdb or decoys//var/tmp/from_scwrl_451829506_b.pdb.gz for input Trying /var/tmp/from_scwrl_451829506_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_451829506_b.pdb or /var/tmp/from_scwrl_451829506_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_451829506_a.pdb or decoys//var/tmp/from_scwrl_451829506_a.pdb.gz for input Trying /var/tmp/from_scwrl_451829506_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_451829506_a.pdb or /var/tmp/from_scwrl_451829506_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_451829506.pdb or /var/tmp/from_scwrl_451829506_b.pdb or /var/tmp/from_scwrl_451829506_a.pdb Error: no new SCWRL conformation added # 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 T0331 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1815576229.pdb -s /var/tmp/to_scwrl_1815576229.seq -o /var/tmp/from_scwrl_1815576229.pdb > /var/tmp/scwrl_1815576229.log sh: /var/tmp/scwrl_1815576229.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1815576229.pdb or /var/tmp/from_scwrl_1815576229.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1815576229_b.pdb or decoys//var/tmp/from_scwrl_1815576229_b.pdb.gz for input Trying /var/tmp/from_scwrl_1815576229_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1815576229_b.pdb or /var/tmp/from_scwrl_1815576229_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1815576229_a.pdb or decoys//var/tmp/from_scwrl_1815576229_a.pdb.gz for input Trying /var/tmp/from_scwrl_1815576229_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1815576229_a.pdb or /var/tmp/from_scwrl_1815576229_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1815576229.pdb or /var/tmp/from_scwrl_1815576229_b.pdb or /var/tmp/from_scwrl_1815576229_a.pdb Error: no new SCWRL conformation added # 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 T0331 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1356226318.pdb -s /var/tmp/to_scwrl_1356226318.seq -o /var/tmp/from_scwrl_1356226318.pdb > /var/tmp/scwrl_1356226318.log sh: /var/tmp/scwrl_1356226318.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1356226318.pdb or /var/tmp/from_scwrl_1356226318.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1356226318_b.pdb or decoys//var/tmp/from_scwrl_1356226318_b.pdb.gz for input Trying /var/tmp/from_scwrl_1356226318_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1356226318_b.pdb or /var/tmp/from_scwrl_1356226318_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1356226318_a.pdb or decoys//var/tmp/from_scwrl_1356226318_a.pdb.gz for input Trying /var/tmp/from_scwrl_1356226318_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1356226318_a.pdb or /var/tmp/from_scwrl_1356226318_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1356226318.pdb or /var/tmp/from_scwrl_1356226318_b.pdb or /var/tmp/from_scwrl_1356226318_a.pdb Error: no new SCWRL conformation added # 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 T0331 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1715034300.pdb -s /var/tmp/to_scwrl_1715034300.seq -o /var/tmp/from_scwrl_1715034300.pdb > /var/tmp/scwrl_1715034300.log sh: /var/tmp/scwrl_1715034300.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1715034300.pdb or /var/tmp/from_scwrl_1715034300.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1715034300_b.pdb or decoys//var/tmp/from_scwrl_1715034300_b.pdb.gz for input Trying /var/tmp/from_scwrl_1715034300_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1715034300_b.pdb or /var/tmp/from_scwrl_1715034300_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1715034300_a.pdb or decoys//var/tmp/from_scwrl_1715034300_a.pdb.gz for input Trying /var/tmp/from_scwrl_1715034300_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1715034300_a.pdb or /var/tmp/from_scwrl_1715034300_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1715034300.pdb or /var/tmp/from_scwrl_1715034300_b.pdb or /var/tmp/from_scwrl_1715034300_a.pdb Error: no new SCWRL conformation added # 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 T0331 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_982626412.pdb -s /var/tmp/to_scwrl_982626412.seq -o /var/tmp/from_scwrl_982626412.pdb > /var/tmp/scwrl_982626412.log sh: /var/tmp/scwrl_982626412.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_982626412.pdb or /var/tmp/from_scwrl_982626412.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_982626412_b.pdb or decoys//var/tmp/from_scwrl_982626412_b.pdb.gz for input Trying /var/tmp/from_scwrl_982626412_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_982626412_b.pdb or /var/tmp/from_scwrl_982626412_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_982626412_a.pdb or decoys//var/tmp/from_scwrl_982626412_a.pdb.gz for input Trying /var/tmp/from_scwrl_982626412_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_982626412_a.pdb or /var/tmp/from_scwrl_982626412_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_982626412.pdb or /var/tmp/from_scwrl_982626412_b.pdb or /var/tmp/from_scwrl_982626412_a.pdb Error: no new SCWRL conformation added # 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 T0331 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1865089034.pdb -s /var/tmp/to_scwrl_1865089034.seq -o /var/tmp/from_scwrl_1865089034.pdb > /var/tmp/scwrl_1865089034.log sh: /var/tmp/scwrl_1865089034.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1865089034.pdb or /var/tmp/from_scwrl_1865089034.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1865089034_b.pdb or decoys//var/tmp/from_scwrl_1865089034_b.pdb.gz for input Trying /var/tmp/from_scwrl_1865089034_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1865089034_b.pdb or /var/tmp/from_scwrl_1865089034_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1865089034_a.pdb or decoys//var/tmp/from_scwrl_1865089034_a.pdb.gz for input Trying /var/tmp/from_scwrl_1865089034_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1865089034_a.pdb or /var/tmp/from_scwrl_1865089034_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1865089034.pdb or /var/tmp/from_scwrl_1865089034_b.pdb or /var/tmp/from_scwrl_1865089034_a.pdb Error: no new SCWRL conformation added # 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 140 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_2056802419.pdb -s /var/tmp/to_scwrl_2056802419.seq -o /var/tmp/from_scwrl_2056802419.pdb > /var/tmp/scwrl_2056802419.log sh: /var/tmp/scwrl_2056802419.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2056802419.pdb or /var/tmp/from_scwrl_2056802419.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2056802419_b.pdb or decoys//var/tmp/from_scwrl_2056802419_b.pdb.gz for input Trying /var/tmp/from_scwrl_2056802419_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2056802419_b.pdb or /var/tmp/from_scwrl_2056802419_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2056802419_a.pdb or decoys//var/tmp/from_scwrl_2056802419_a.pdb.gz for input Trying /var/tmp/from_scwrl_2056802419_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2056802419_a.pdb or /var/tmp/from_scwrl_2056802419_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2056802419.pdb or /var/tmp/from_scwrl_2056802419_b.pdb or /var/tmp/from_scwrl_2056802419_a.pdb Error: no new SCWRL conformation added # naming current conformation SAM_T06_server_TS1-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1664299575.pdb -s /var/tmp/to_scwrl_1664299575.seq -o /var/tmp/from_scwrl_1664299575.pdb > /var/tmp/scwrl_1664299575.log sh: /var/tmp/scwrl_1664299575.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1664299575.pdb or /var/tmp/from_scwrl_1664299575.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1664299575_b.pdb or decoys//var/tmp/from_scwrl_1664299575_b.pdb.gz for input Trying /var/tmp/from_scwrl_1664299575_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1664299575_b.pdb or /var/tmp/from_scwrl_1664299575_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1664299575_a.pdb or decoys//var/tmp/from_scwrl_1664299575_a.pdb.gz for input Trying /var/tmp/from_scwrl_1664299575_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1664299575_a.pdb or /var/tmp/from_scwrl_1664299575_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1664299575.pdb or /var/tmp/from_scwrl_1664299575_b.pdb or /var/tmp/from_scwrl_1664299575_a.pdb Error: no new SCWRL conformation added # naming current conformation SAM_T06_server_TS2-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1046687556.pdb -s /var/tmp/to_scwrl_1046687556.seq -o /var/tmp/from_scwrl_1046687556.pdb > /var/tmp/scwrl_1046687556.log sh: /var/tmp/scwrl_1046687556.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1046687556.pdb or /var/tmp/from_scwrl_1046687556.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1046687556_b.pdb or decoys//var/tmp/from_scwrl_1046687556_b.pdb.gz for input Trying /var/tmp/from_scwrl_1046687556_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1046687556_b.pdb or /var/tmp/from_scwrl_1046687556_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1046687556_a.pdb or decoys//var/tmp/from_scwrl_1046687556_a.pdb.gz for input Trying /var/tmp/from_scwrl_1046687556_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1046687556_a.pdb or /var/tmp/from_scwrl_1046687556_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1046687556.pdb or /var/tmp/from_scwrl_1046687556_b.pdb or /var/tmp/from_scwrl_1046687556_a.pdb Error: no new SCWRL conformation added # naming current conformation SAM_T06_server_TS3-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1068595645.pdb -s /var/tmp/to_scwrl_1068595645.seq -o /var/tmp/from_scwrl_1068595645.pdb > /var/tmp/scwrl_1068595645.log sh: /var/tmp/scwrl_1068595645.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1068595645.pdb or /var/tmp/from_scwrl_1068595645.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1068595645_b.pdb or decoys//var/tmp/from_scwrl_1068595645_b.pdb.gz for input Trying /var/tmp/from_scwrl_1068595645_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1068595645_b.pdb or /var/tmp/from_scwrl_1068595645_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1068595645_a.pdb or decoys//var/tmp/from_scwrl_1068595645_a.pdb.gz for input Trying /var/tmp/from_scwrl_1068595645_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1068595645_a.pdb or /var/tmp/from_scwrl_1068595645_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1068595645.pdb or /var/tmp/from_scwrl_1068595645_b.pdb or /var/tmp/from_scwrl_1068595645_a.pdb Error: no new SCWRL conformation added # naming current conformation SAM_T06_server_TS4-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1949103878.pdb -s /var/tmp/to_scwrl_1949103878.seq -o /var/tmp/from_scwrl_1949103878.pdb > /var/tmp/scwrl_1949103878.log sh: /var/tmp/scwrl_1949103878.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1949103878.pdb or /var/tmp/from_scwrl_1949103878.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1949103878_b.pdb or decoys//var/tmp/from_scwrl_1949103878_b.pdb.gz for input Trying /var/tmp/from_scwrl_1949103878_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1949103878_b.pdb or /var/tmp/from_scwrl_1949103878_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1949103878_a.pdb or decoys//var/tmp/from_scwrl_1949103878_a.pdb.gz for input Trying /var/tmp/from_scwrl_1949103878_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1949103878_a.pdb or /var/tmp/from_scwrl_1949103878_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1949103878.pdb or /var/tmp/from_scwrl_1949103878_b.pdb or /var/tmp/from_scwrl_1949103878_a.pdb Error: no new SCWRL conformation added # naming current conformation SAM_T06_server_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS1.pdb.gz looking for model 1 # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1161234164.pdb -s /var/tmp/to_scwrl_1161234164.seq -o /var/tmp/from_scwrl_1161234164.pdb > /var/tmp/scwrl_1161234164.log sh: /var/tmp/scwrl_1161234164.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1161234164.pdb or /var/tmp/from_scwrl_1161234164.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1161234164_b.pdb or decoys//var/tmp/from_scwrl_1161234164_b.pdb.gz for input Trying /var/tmp/from_scwrl_1161234164_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1161234164_b.pdb or /var/tmp/from_scwrl_1161234164_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1161234164_a.pdb or decoys//var/tmp/from_scwrl_1161234164_a.pdb.gz for input Trying /var/tmp/from_scwrl_1161234164_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1161234164_a.pdb or /var/tmp/from_scwrl_1161234164_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1161234164.pdb or /var/tmp/from_scwrl_1161234164_b.pdb or /var/tmp/from_scwrl_1161234164_a.pdb Error: no new SCWRL conformation added # naming current conformation SP3_TS1-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS2.pdb.gz looking for model 1 # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_2092901382.pdb -s /var/tmp/to_scwrl_2092901382.seq -o /var/tmp/from_scwrl_2092901382.pdb > /var/tmp/scwrl_2092901382.log sh: /var/tmp/scwrl_2092901382.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2092901382.pdb or /var/tmp/from_scwrl_2092901382.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2092901382_b.pdb or decoys//var/tmp/from_scwrl_2092901382_b.pdb.gz for input Trying /var/tmp/from_scwrl_2092901382_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2092901382_b.pdb or /var/tmp/from_scwrl_2092901382_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2092901382_a.pdb or decoys//var/tmp/from_scwrl_2092901382_a.pdb.gz for input Trying /var/tmp/from_scwrl_2092901382_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2092901382_a.pdb or /var/tmp/from_scwrl_2092901382_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2092901382.pdb or /var/tmp/from_scwrl_2092901382_b.pdb or /var/tmp/from_scwrl_2092901382_a.pdb Error: no new SCWRL conformation added # naming current conformation SP3_TS2-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS3.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1276182165.pdb -s /var/tmp/to_scwrl_1276182165.seq -o /var/tmp/from_scwrl_1276182165.pdb > /var/tmp/scwrl_1276182165.log sh: /var/tmp/scwrl_1276182165.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1276182165.pdb or /var/tmp/from_scwrl_1276182165.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1276182165_b.pdb or decoys//var/tmp/from_scwrl_1276182165_b.pdb.gz for input Trying /var/tmp/from_scwrl_1276182165_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1276182165_b.pdb or /var/tmp/from_scwrl_1276182165_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1276182165_a.pdb or decoys//var/tmp/from_scwrl_1276182165_a.pdb.gz for input Trying /var/tmp/from_scwrl_1276182165_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1276182165_a.pdb or /var/tmp/from_scwrl_1276182165_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1276182165.pdb or /var/tmp/from_scwrl_1276182165_b.pdb or /var/tmp/from_scwrl_1276182165_a.pdb Error: no new SCWRL conformation added # naming current conformation SP3_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS4.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_115716151.pdb -s /var/tmp/to_scwrl_115716151.seq -o /var/tmp/from_scwrl_115716151.pdb > /var/tmp/scwrl_115716151.log sh: /var/tmp/scwrl_115716151.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_115716151.pdb or /var/tmp/from_scwrl_115716151.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_115716151_b.pdb or decoys//var/tmp/from_scwrl_115716151_b.pdb.gz for input Trying /var/tmp/from_scwrl_115716151_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_115716151_b.pdb or /var/tmp/from_scwrl_115716151_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_115716151_a.pdb or decoys//var/tmp/from_scwrl_115716151_a.pdb.gz for input Trying /var/tmp/from_scwrl_115716151_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_115716151_a.pdb or /var/tmp/from_scwrl_115716151_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_115716151.pdb or /var/tmp/from_scwrl_115716151_b.pdb or /var/tmp/from_scwrl_115716151_a.pdb Error: no new SCWRL conformation added # naming current conformation SP3_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS5.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_542856368.pdb -s /var/tmp/to_scwrl_542856368.seq -o /var/tmp/from_scwrl_542856368.pdb > /var/tmp/scwrl_542856368.log sh: /var/tmp/scwrl_542856368.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_542856368.pdb or /var/tmp/from_scwrl_542856368.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_542856368_b.pdb or decoys//var/tmp/from_scwrl_542856368_b.pdb.gz for input Trying /var/tmp/from_scwrl_542856368_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_542856368_b.pdb or /var/tmp/from_scwrl_542856368_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_542856368_a.pdb or decoys//var/tmp/from_scwrl_542856368_a.pdb.gz for input Trying /var/tmp/from_scwrl_542856368_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_542856368_a.pdb or /var/tmp/from_scwrl_542856368_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_542856368.pdb or /var/tmp/from_scwrl_542856368_b.pdb or /var/tmp/from_scwrl_542856368_a.pdb Error: no new SCWRL conformation added # naming current conformation SP3_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS1.pdb.gz looking for model 1 # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_540117121.pdb -s /var/tmp/to_scwrl_540117121.seq -o /var/tmp/from_scwrl_540117121.pdb > /var/tmp/scwrl_540117121.log sh: /var/tmp/scwrl_540117121.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_540117121.pdb or /var/tmp/from_scwrl_540117121.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_540117121_b.pdb or decoys//var/tmp/from_scwrl_540117121_b.pdb.gz for input Trying /var/tmp/from_scwrl_540117121_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_540117121_b.pdb or /var/tmp/from_scwrl_540117121_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_540117121_a.pdb or decoys//var/tmp/from_scwrl_540117121_a.pdb.gz for input Trying /var/tmp/from_scwrl_540117121_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_540117121_a.pdb or /var/tmp/from_scwrl_540117121_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_540117121.pdb or /var/tmp/from_scwrl_540117121_b.pdb or /var/tmp/from_scwrl_540117121_a.pdb Error: no new SCWRL conformation added # naming current conformation SP4_TS1-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS2.pdb.gz looking for model 1 # Found a chain break before 2 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_850143581.pdb -s /var/tmp/to_scwrl_850143581.seq -o /var/tmp/from_scwrl_850143581.pdb > /var/tmp/scwrl_850143581.log sh: /var/tmp/scwrl_850143581.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_850143581.pdb or /var/tmp/from_scwrl_850143581.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_850143581_b.pdb or decoys//var/tmp/from_scwrl_850143581_b.pdb.gz for input Trying /var/tmp/from_scwrl_850143581_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_850143581_b.pdb or /var/tmp/from_scwrl_850143581_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_850143581_a.pdb or decoys//var/tmp/from_scwrl_850143581_a.pdb.gz for input Trying /var/tmp/from_scwrl_850143581_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_850143581_a.pdb or /var/tmp/from_scwrl_850143581_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_850143581.pdb or /var/tmp/from_scwrl_850143581_b.pdb or /var/tmp/from_scwrl_850143581_a.pdb Error: no new SCWRL conformation added # naming current conformation SP4_TS2-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS3.pdb.gz looking for model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_438432769.pdb -s /var/tmp/to_scwrl_438432769.seq -o /var/tmp/from_scwrl_438432769.pdb > /var/tmp/scwrl_438432769.log sh: /var/tmp/scwrl_438432769.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_438432769.pdb or /var/tmp/from_scwrl_438432769.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_438432769_b.pdb or decoys//var/tmp/from_scwrl_438432769_b.pdb.gz for input Trying /var/tmp/from_scwrl_438432769_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_438432769_b.pdb or /var/tmp/from_scwrl_438432769_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_438432769_a.pdb or decoys//var/tmp/from_scwrl_438432769_a.pdb.gz for input Trying /var/tmp/from_scwrl_438432769_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_438432769_a.pdb or /var/tmp/from_scwrl_438432769_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_438432769.pdb or /var/tmp/from_scwrl_438432769_b.pdb or /var/tmp/from_scwrl_438432769_a.pdb Error: no new SCWRL conformation added # naming current conformation SP4_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS4.pdb.gz looking for model 1 # Found a chain break before 32 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1222730318.pdb -s /var/tmp/to_scwrl_1222730318.seq -o /var/tmp/from_scwrl_1222730318.pdb > /var/tmp/scwrl_1222730318.log sh: /var/tmp/scwrl_1222730318.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1222730318.pdb or /var/tmp/from_scwrl_1222730318.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1222730318_b.pdb or decoys//var/tmp/from_scwrl_1222730318_b.pdb.gz for input Trying /var/tmp/from_scwrl_1222730318_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1222730318_b.pdb or /var/tmp/from_scwrl_1222730318_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1222730318_a.pdb or decoys//var/tmp/from_scwrl_1222730318_a.pdb.gz for input Trying /var/tmp/from_scwrl_1222730318_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1222730318_a.pdb or /var/tmp/from_scwrl_1222730318_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1222730318.pdb or /var/tmp/from_scwrl_1222730318_b.pdb or /var/tmp/from_scwrl_1222730318_a.pdb Error: no new SCWRL conformation added # naming current conformation SP4_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS5.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_474134483.pdb -s /var/tmp/to_scwrl_474134483.seq -o /var/tmp/from_scwrl_474134483.pdb > /var/tmp/scwrl_474134483.log sh: /var/tmp/scwrl_474134483.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_474134483.pdb or /var/tmp/from_scwrl_474134483.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_474134483_b.pdb or decoys//var/tmp/from_scwrl_474134483_b.pdb.gz for input Trying /var/tmp/from_scwrl_474134483_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_474134483_b.pdb or /var/tmp/from_scwrl_474134483_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_474134483_a.pdb or decoys//var/tmp/from_scwrl_474134483_a.pdb.gz for input Trying /var/tmp/from_scwrl_474134483_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_474134483_a.pdb or /var/tmp/from_scwrl_474134483_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_474134483.pdb or /var/tmp/from_scwrl_474134483_b.pdb or /var/tmp/from_scwrl_474134483_a.pdb Error: no new SCWRL conformation added # naming current conformation SP4_TS5-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS1.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_500272191.pdb -s /var/tmp/to_scwrl_500272191.seq -o /var/tmp/from_scwrl_500272191.pdb > /var/tmp/scwrl_500272191.log sh: /var/tmp/scwrl_500272191.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_500272191.pdb or /var/tmp/from_scwrl_500272191.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_500272191_b.pdb or decoys//var/tmp/from_scwrl_500272191_b.pdb.gz for input Trying /var/tmp/from_scwrl_500272191_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_500272191_b.pdb or /var/tmp/from_scwrl_500272191_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_500272191_a.pdb or decoys//var/tmp/from_scwrl_500272191_a.pdb.gz for input Trying /var/tmp/from_scwrl_500272191_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_500272191_a.pdb or /var/tmp/from_scwrl_500272191_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_500272191.pdb or /var/tmp/from_scwrl_500272191_b.pdb or /var/tmp/from_scwrl_500272191_a.pdb Error: no new SCWRL conformation added # naming current conformation SPARKS2_TS1-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS2.pdb.gz looking for model 1 # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1092628723.pdb -s /var/tmp/to_scwrl_1092628723.seq -o /var/tmp/from_scwrl_1092628723.pdb > /var/tmp/scwrl_1092628723.log sh: /var/tmp/scwrl_1092628723.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1092628723.pdb or /var/tmp/from_scwrl_1092628723.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1092628723_b.pdb or decoys//var/tmp/from_scwrl_1092628723_b.pdb.gz for input Trying /var/tmp/from_scwrl_1092628723_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1092628723_b.pdb or /var/tmp/from_scwrl_1092628723_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1092628723_a.pdb or decoys//var/tmp/from_scwrl_1092628723_a.pdb.gz for input Trying /var/tmp/from_scwrl_1092628723_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1092628723_a.pdb or /var/tmp/from_scwrl_1092628723_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1092628723.pdb or /var/tmp/from_scwrl_1092628723_b.pdb or /var/tmp/from_scwrl_1092628723_a.pdb Error: no new SCWRL conformation added # naming current conformation SPARKS2_TS2-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS3.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1788686659.pdb -s /var/tmp/to_scwrl_1788686659.seq -o /var/tmp/from_scwrl_1788686659.pdb > /var/tmp/scwrl_1788686659.log sh: /var/tmp/scwrl_1788686659.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1788686659.pdb or /var/tmp/from_scwrl_1788686659.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1788686659_b.pdb or decoys//var/tmp/from_scwrl_1788686659_b.pdb.gz for input Trying /var/tmp/from_scwrl_1788686659_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1788686659_b.pdb or /var/tmp/from_scwrl_1788686659_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1788686659_a.pdb or decoys//var/tmp/from_scwrl_1788686659_a.pdb.gz for input Trying /var/tmp/from_scwrl_1788686659_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1788686659_a.pdb or /var/tmp/from_scwrl_1788686659_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1788686659.pdb or /var/tmp/from_scwrl_1788686659_b.pdb or /var/tmp/from_scwrl_1788686659_a.pdb Error: no new SCWRL conformation added # naming current conformation SPARKS2_TS3-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS4.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1381319099.pdb -s /var/tmp/to_scwrl_1381319099.seq -o /var/tmp/from_scwrl_1381319099.pdb > /var/tmp/scwrl_1381319099.log sh: /var/tmp/scwrl_1381319099.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1381319099.pdb or /var/tmp/from_scwrl_1381319099.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1381319099_b.pdb or decoys//var/tmp/from_scwrl_1381319099_b.pdb.gz for input Trying /var/tmp/from_scwrl_1381319099_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1381319099_b.pdb or /var/tmp/from_scwrl_1381319099_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1381319099_a.pdb or decoys//var/tmp/from_scwrl_1381319099_a.pdb.gz for input Trying /var/tmp/from_scwrl_1381319099_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1381319099_a.pdb or /var/tmp/from_scwrl_1381319099_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1381319099.pdb or /var/tmp/from_scwrl_1381319099_b.pdb or /var/tmp/from_scwrl_1381319099_a.pdb Error: no new SCWRL conformation added # naming current conformation SPARKS2_TS4-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS5.pdb.gz looking for model 1 # Found a chain break before 32 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_400919452.pdb -s /var/tmp/to_scwrl_400919452.seq -o /var/tmp/from_scwrl_400919452.pdb > /var/tmp/scwrl_400919452.log sh: /var/tmp/scwrl_400919452.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_400919452.pdb or /var/tmp/from_scwrl_400919452.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_400919452_b.pdb or decoys//var/tmp/from_scwrl_400919452_b.pdb.gz for input Trying /var/tmp/from_scwrl_400919452_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_400919452_b.pdb or /var/tmp/from_scwrl_400919452_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_400919452_a.pdb or decoys//var/tmp/from_scwrl_400919452_a.pdb.gz for input Trying /var/tmp/from_scwrl_400919452_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_400919452_a.pdb or /var/tmp/from_scwrl_400919452_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_400919452.pdb or /var/tmp/from_scwrl_400919452_b.pdb or /var/tmp/from_scwrl_400919452_a.pdb Error: no new SCWRL conformation added # naming current conformation SPARKS2_TS5-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1429057862.pdb -s /var/tmp/to_scwrl_1429057862.seq -o /var/tmp/from_scwrl_1429057862.pdb > /var/tmp/scwrl_1429057862.log sh: /var/tmp/scwrl_1429057862.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1429057862.pdb or /var/tmp/from_scwrl_1429057862.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1429057862_b.pdb or decoys//var/tmp/from_scwrl_1429057862_b.pdb.gz for input Trying /var/tmp/from_scwrl_1429057862_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1429057862_b.pdb or /var/tmp/from_scwrl_1429057862_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1429057862_a.pdb or decoys//var/tmp/from_scwrl_1429057862_a.pdb.gz for input Trying /var/tmp/from_scwrl_1429057862_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1429057862_a.pdb or /var/tmp/from_scwrl_1429057862_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1429057862.pdb or /var/tmp/from_scwrl_1429057862_b.pdb or /var/tmp/from_scwrl_1429057862_a.pdb Error: no new SCWRL conformation added # naming current conformation UNI-EID_bnmx_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1994571918.pdb -s /var/tmp/to_scwrl_1994571918.seq -o /var/tmp/from_scwrl_1994571918.pdb > /var/tmp/scwrl_1994571918.log sh: /var/tmp/scwrl_1994571918.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1994571918.pdb or /var/tmp/from_scwrl_1994571918.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1994571918_b.pdb or decoys//var/tmp/from_scwrl_1994571918_b.pdb.gz for input Trying /var/tmp/from_scwrl_1994571918_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1994571918_b.pdb or /var/tmp/from_scwrl_1994571918_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1994571918_a.pdb or decoys//var/tmp/from_scwrl_1994571918_a.pdb.gz for input Trying /var/tmp/from_scwrl_1994571918_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1994571918_a.pdb or /var/tmp/from_scwrl_1994571918_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1994571918.pdb or /var/tmp/from_scwrl_1994571918_b.pdb or /var/tmp/from_scwrl_1994571918_a.pdb Error: no new SCWRL conformation added # naming current conformation UNI-EID_bnmx_TS2-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_202892385.pdb -s /var/tmp/to_scwrl_202892385.seq -o /var/tmp/from_scwrl_202892385.pdb > /var/tmp/scwrl_202892385.log sh: /var/tmp/scwrl_202892385.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_202892385.pdb or /var/tmp/from_scwrl_202892385.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_202892385_b.pdb or decoys//var/tmp/from_scwrl_202892385_b.pdb.gz for input Trying /var/tmp/from_scwrl_202892385_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_202892385_b.pdb or /var/tmp/from_scwrl_202892385_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_202892385_a.pdb or decoys//var/tmp/from_scwrl_202892385_a.pdb.gz for input Trying /var/tmp/from_scwrl_202892385_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_202892385_a.pdb or /var/tmp/from_scwrl_202892385_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_202892385.pdb or /var/tmp/from_scwrl_202892385_b.pdb or /var/tmp/from_scwrl_202892385_a.pdb Error: no new SCWRL conformation added # naming current conformation UNI-EID_bnmx_TS3-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1600770586.pdb -s /var/tmp/to_scwrl_1600770586.seq -o /var/tmp/from_scwrl_1600770586.pdb > /var/tmp/scwrl_1600770586.log sh: /var/tmp/scwrl_1600770586.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1600770586.pdb or /var/tmp/from_scwrl_1600770586.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1600770586_b.pdb or decoys//var/tmp/from_scwrl_1600770586_b.pdb.gz for input Trying /var/tmp/from_scwrl_1600770586_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1600770586_b.pdb or /var/tmp/from_scwrl_1600770586_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1600770586_a.pdb or decoys//var/tmp/from_scwrl_1600770586_a.pdb.gz for input Trying /var/tmp/from_scwrl_1600770586_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1600770586_a.pdb or /var/tmp/from_scwrl_1600770586_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1600770586.pdb or /var/tmp/from_scwrl_1600770586_b.pdb or /var/tmp/from_scwrl_1600770586_a.pdb Error: no new SCWRL conformation added # naming current conformation UNI-EID_bnmx_TS4-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1854419688.pdb -s /var/tmp/to_scwrl_1854419688.seq -o /var/tmp/from_scwrl_1854419688.pdb > /var/tmp/scwrl_1854419688.log sh: /var/tmp/scwrl_1854419688.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1854419688.pdb or /var/tmp/from_scwrl_1854419688.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1854419688_b.pdb or decoys//var/tmp/from_scwrl_1854419688_b.pdb.gz for input Trying /var/tmp/from_scwrl_1854419688_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1854419688_b.pdb or /var/tmp/from_scwrl_1854419688_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1854419688_a.pdb or decoys//var/tmp/from_scwrl_1854419688_a.pdb.gz for input Trying /var/tmp/from_scwrl_1854419688_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1854419688_a.pdb or /var/tmp/from_scwrl_1854419688_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1854419688.pdb or /var/tmp/from_scwrl_1854419688_b.pdb or /var/tmp/from_scwrl_1854419688_a.pdb Error: no new SCWRL conformation added # naming current conformation UNI-EID_bnmx_TS5-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_expm_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_654721891.pdb -s /var/tmp/to_scwrl_654721891.seq -o /var/tmp/from_scwrl_654721891.pdb > /var/tmp/scwrl_654721891.log sh: /var/tmp/scwrl_654721891.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_654721891.pdb or /var/tmp/from_scwrl_654721891.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_654721891_b.pdb or decoys//var/tmp/from_scwrl_654721891_b.pdb.gz for input Trying /var/tmp/from_scwrl_654721891_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_654721891_b.pdb or /var/tmp/from_scwrl_654721891_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_654721891_a.pdb or decoys//var/tmp/from_scwrl_654721891_a.pdb.gz for input Trying /var/tmp/from_scwrl_654721891_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_654721891_a.pdb or /var/tmp/from_scwrl_654721891_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_654721891.pdb or /var/tmp/from_scwrl_654721891_b.pdb or /var/tmp/from_scwrl_654721891_a.pdb Error: no new SCWRL conformation added # naming current conformation UNI-EID_expm_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1268863168.pdb -s /var/tmp/to_scwrl_1268863168.seq -o /var/tmp/from_scwrl_1268863168.pdb > /var/tmp/scwrl_1268863168.log sh: /var/tmp/scwrl_1268863168.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1268863168.pdb or /var/tmp/from_scwrl_1268863168.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1268863168_b.pdb or decoys//var/tmp/from_scwrl_1268863168_b.pdb.gz for input Trying /var/tmp/from_scwrl_1268863168_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1268863168_b.pdb or /var/tmp/from_scwrl_1268863168_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1268863168_a.pdb or decoys//var/tmp/from_scwrl_1268863168_a.pdb.gz for input Trying /var/tmp/from_scwrl_1268863168_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1268863168_a.pdb or /var/tmp/from_scwrl_1268863168_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1268863168.pdb or /var/tmp/from_scwrl_1268863168_b.pdb or /var/tmp/from_scwrl_1268863168_a.pdb Error: no new SCWRL conformation added # naming current conformation UNI-EID_sfst_AL1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1063162361.pdb -s /var/tmp/to_scwrl_1063162361.seq -o /var/tmp/from_scwrl_1063162361.pdb > /var/tmp/scwrl_1063162361.log sh: /var/tmp/scwrl_1063162361.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1063162361.pdb or /var/tmp/from_scwrl_1063162361.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1063162361_b.pdb or decoys//var/tmp/from_scwrl_1063162361_b.pdb.gz for input Trying /var/tmp/from_scwrl_1063162361_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1063162361_b.pdb or /var/tmp/from_scwrl_1063162361_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1063162361_a.pdb or decoys//var/tmp/from_scwrl_1063162361_a.pdb.gz for input Trying /var/tmp/from_scwrl_1063162361_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1063162361_a.pdb or /var/tmp/from_scwrl_1063162361_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1063162361.pdb or /var/tmp/from_scwrl_1063162361_b.pdb or /var/tmp/from_scwrl_1063162361_a.pdb Error: no new SCWRL conformation added # naming current conformation UNI-EID_sfst_AL2-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_222272544.pdb -s /var/tmp/to_scwrl_222272544.seq -o /var/tmp/from_scwrl_222272544.pdb > /var/tmp/scwrl_222272544.log sh: /var/tmp/scwrl_222272544.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_222272544.pdb or /var/tmp/from_scwrl_222272544.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_222272544_b.pdb or decoys//var/tmp/from_scwrl_222272544_b.pdb.gz for input Trying /var/tmp/from_scwrl_222272544_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_222272544_b.pdb or /var/tmp/from_scwrl_222272544_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_222272544_a.pdb or decoys//var/tmp/from_scwrl_222272544_a.pdb.gz for input Trying /var/tmp/from_scwrl_222272544_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_222272544_a.pdb or /var/tmp/from_scwrl_222272544_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_222272544.pdb or /var/tmp/from_scwrl_222272544_b.pdb or /var/tmp/from_scwrl_222272544_a.pdb Error: no new SCWRL conformation added # naming current conformation UNI-EID_sfst_AL3-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_104005933.pdb -s /var/tmp/to_scwrl_104005933.seq -o /var/tmp/from_scwrl_104005933.pdb > /var/tmp/scwrl_104005933.log sh: /var/tmp/scwrl_104005933.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_104005933.pdb or /var/tmp/from_scwrl_104005933.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_104005933_b.pdb or decoys//var/tmp/from_scwrl_104005933_b.pdb.gz for input Trying /var/tmp/from_scwrl_104005933_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_104005933_b.pdb or /var/tmp/from_scwrl_104005933_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_104005933_a.pdb or decoys//var/tmp/from_scwrl_104005933_a.pdb.gz for input Trying /var/tmp/from_scwrl_104005933_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_104005933_a.pdb or /var/tmp/from_scwrl_104005933_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_104005933.pdb or /var/tmp/from_scwrl_104005933_b.pdb or /var/tmp/from_scwrl_104005933_a.pdb Error: no new SCWRL conformation added # naming current conformation UNI-EID_sfst_AL4-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_780767748.pdb -s /var/tmp/to_scwrl_780767748.seq -o /var/tmp/from_scwrl_780767748.pdb > /var/tmp/scwrl_780767748.log sh: /var/tmp/scwrl_780767748.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_780767748.pdb or /var/tmp/from_scwrl_780767748.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_780767748_b.pdb or decoys//var/tmp/from_scwrl_780767748_b.pdb.gz for input Trying /var/tmp/from_scwrl_780767748_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_780767748_b.pdb or /var/tmp/from_scwrl_780767748_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_780767748_a.pdb or decoys//var/tmp/from_scwrl_780767748_a.pdb.gz for input Trying /var/tmp/from_scwrl_780767748_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_780767748_a.pdb or /var/tmp/from_scwrl_780767748_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_780767748.pdb or /var/tmp/from_scwrl_780767748_b.pdb or /var/tmp/from_scwrl_780767748_a.pdb Error: no new SCWRL conformation added # naming current conformation UNI-EID_sfst_AL5-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_131591316.pdb -s /var/tmp/to_scwrl_131591316.seq -o /var/tmp/from_scwrl_131591316.pdb > /var/tmp/scwrl_131591316.log sh: /var/tmp/scwrl_131591316.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_131591316.pdb or /var/tmp/from_scwrl_131591316.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_131591316_b.pdb or decoys//var/tmp/from_scwrl_131591316_b.pdb.gz for input Trying /var/tmp/from_scwrl_131591316_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_131591316_b.pdb or /var/tmp/from_scwrl_131591316_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_131591316_a.pdb or decoys//var/tmp/from_scwrl_131591316_a.pdb.gz for input Trying /var/tmp/from_scwrl_131591316_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_131591316_a.pdb or /var/tmp/from_scwrl_131591316_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_131591316.pdb or /var/tmp/from_scwrl_131591316_b.pdb or /var/tmp/from_scwrl_131591316_a.pdb Error: no new SCWRL conformation added # naming current conformation Zhang-Server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS2.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1768305509.pdb -s /var/tmp/to_scwrl_1768305509.seq -o /var/tmp/from_scwrl_1768305509.pdb > /var/tmp/scwrl_1768305509.log sh: /var/tmp/scwrl_1768305509.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1768305509.pdb or /var/tmp/from_scwrl_1768305509.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1768305509_b.pdb or decoys//var/tmp/from_scwrl_1768305509_b.pdb.gz for input Trying /var/tmp/from_scwrl_1768305509_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1768305509_b.pdb or /var/tmp/from_scwrl_1768305509_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1768305509_a.pdb or decoys//var/tmp/from_scwrl_1768305509_a.pdb.gz for input Trying /var/tmp/from_scwrl_1768305509_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1768305509_a.pdb or /var/tmp/from_scwrl_1768305509_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1768305509.pdb or /var/tmp/from_scwrl_1768305509_b.pdb or /var/tmp/from_scwrl_1768305509_a.pdb Error: no new SCWRL conformation added # naming current conformation Zhang-Server_TS2-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS3.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1827455304.pdb -s /var/tmp/to_scwrl_1827455304.seq -o /var/tmp/from_scwrl_1827455304.pdb > /var/tmp/scwrl_1827455304.log sh: /var/tmp/scwrl_1827455304.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1827455304.pdb or /var/tmp/from_scwrl_1827455304.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1827455304_b.pdb or decoys//var/tmp/from_scwrl_1827455304_b.pdb.gz for input Trying /var/tmp/from_scwrl_1827455304_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1827455304_b.pdb or /var/tmp/from_scwrl_1827455304_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1827455304_a.pdb or decoys//var/tmp/from_scwrl_1827455304_a.pdb.gz for input Trying /var/tmp/from_scwrl_1827455304_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1827455304_a.pdb or /var/tmp/from_scwrl_1827455304_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1827455304.pdb or /var/tmp/from_scwrl_1827455304_b.pdb or /var/tmp/from_scwrl_1827455304_a.pdb Error: no new SCWRL conformation added # naming current conformation Zhang-Server_TS3-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS4.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1200186961.pdb -s /var/tmp/to_scwrl_1200186961.seq -o /var/tmp/from_scwrl_1200186961.pdb > /var/tmp/scwrl_1200186961.log sh: /var/tmp/scwrl_1200186961.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1200186961.pdb or /var/tmp/from_scwrl_1200186961.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1200186961_b.pdb or decoys//var/tmp/from_scwrl_1200186961_b.pdb.gz for input Trying /var/tmp/from_scwrl_1200186961_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1200186961_b.pdb or /var/tmp/from_scwrl_1200186961_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1200186961_a.pdb or decoys//var/tmp/from_scwrl_1200186961_a.pdb.gz for input Trying /var/tmp/from_scwrl_1200186961_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1200186961_a.pdb or /var/tmp/from_scwrl_1200186961_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1200186961.pdb or /var/tmp/from_scwrl_1200186961_b.pdb or /var/tmp/from_scwrl_1200186961_a.pdb Error: no new SCWRL conformation added # naming current conformation Zhang-Server_TS4-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS5.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1569925740.pdb -s /var/tmp/to_scwrl_1569925740.seq -o /var/tmp/from_scwrl_1569925740.pdb > /var/tmp/scwrl_1569925740.log sh: /var/tmp/scwrl_1569925740.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1569925740.pdb or /var/tmp/from_scwrl_1569925740.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1569925740_b.pdb or decoys//var/tmp/from_scwrl_1569925740_b.pdb.gz for input Trying /var/tmp/from_scwrl_1569925740_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1569925740_b.pdb or /var/tmp/from_scwrl_1569925740_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1569925740_a.pdb or decoys//var/tmp/from_scwrl_1569925740_a.pdb.gz for input Trying /var/tmp/from_scwrl_1569925740_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1569925740_a.pdb or /var/tmp/from_scwrl_1569925740_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1569925740.pdb or /var/tmp/from_scwrl_1569925740_b.pdb or /var/tmp/from_scwrl_1569925740_a.pdb Error: no new SCWRL conformation added # naming current conformation Zhang-Server_TS5-scwrl # ReadConformPDB reading from PDB file servers/beautshot_TS1.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_841205822.pdb -s /var/tmp/to_scwrl_841205822.seq -o /var/tmp/from_scwrl_841205822.pdb > /var/tmp/scwrl_841205822.log sh: /var/tmp/scwrl_841205822.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_841205822.pdb or /var/tmp/from_scwrl_841205822.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_841205822_b.pdb or decoys//var/tmp/from_scwrl_841205822_b.pdb.gz for input Trying /var/tmp/from_scwrl_841205822_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_841205822_b.pdb or /var/tmp/from_scwrl_841205822_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_841205822_a.pdb or decoys//var/tmp/from_scwrl_841205822_a.pdb.gz for input Trying /var/tmp/from_scwrl_841205822_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_841205822_a.pdb or /var/tmp/from_scwrl_841205822_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_841205822.pdb or /var/tmp/from_scwrl_841205822_b.pdb or /var/tmp/from_scwrl_841205822_a.pdb Error: no new SCWRL conformation added # naming current conformation beautshot_TS1-scwrl # ReadConformPDB reading from PDB file servers/beautshotbase_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1145604696.pdb -s /var/tmp/to_scwrl_1145604696.seq -o /var/tmp/from_scwrl_1145604696.pdb > /var/tmp/scwrl_1145604696.log sh: /var/tmp/scwrl_1145604696.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1145604696.pdb or /var/tmp/from_scwrl_1145604696.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1145604696_b.pdb or decoys//var/tmp/from_scwrl_1145604696_b.pdb.gz for input Trying /var/tmp/from_scwrl_1145604696_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1145604696_b.pdb or /var/tmp/from_scwrl_1145604696_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1145604696_a.pdb or decoys//var/tmp/from_scwrl_1145604696_a.pdb.gz for input Trying /var/tmp/from_scwrl_1145604696_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1145604696_a.pdb or /var/tmp/from_scwrl_1145604696_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1145604696.pdb or /var/tmp/from_scwrl_1145604696_b.pdb or /var/tmp/from_scwrl_1145604696_a.pdb Error: no new SCWRL conformation added # naming current conformation beautshotbase_TS1-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 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 135 ; scwrl3 -i /var/tmp/to_scwrl_698624260.pdb -s /var/tmp/to_scwrl_698624260.seq -o /var/tmp/from_scwrl_698624260.pdb > /var/tmp/scwrl_698624260.log sh: /var/tmp/scwrl_698624260.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_698624260.pdb or /var/tmp/from_scwrl_698624260.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_698624260_b.pdb or decoys//var/tmp/from_scwrl_698624260_b.pdb.gz for input Trying /var/tmp/from_scwrl_698624260_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_698624260_b.pdb or /var/tmp/from_scwrl_698624260_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_698624260_a.pdb or decoys//var/tmp/from_scwrl_698624260_a.pdb.gz for input Trying /var/tmp/from_scwrl_698624260_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_698624260_a.pdb or /var/tmp/from_scwrl_698624260_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_698624260.pdb or /var/tmp/from_scwrl_698624260_b.pdb or /var/tmp/from_scwrl_698624260_a.pdb Error: no new SCWRL conformation added # naming current conformation forecast-s_AL1-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_956921973.pdb -s /var/tmp/to_scwrl_956921973.seq -o /var/tmp/from_scwrl_956921973.pdb > /var/tmp/scwrl_956921973.log sh: /var/tmp/scwrl_956921973.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_956921973.pdb or /var/tmp/from_scwrl_956921973.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_956921973_b.pdb or decoys//var/tmp/from_scwrl_956921973_b.pdb.gz for input Trying /var/tmp/from_scwrl_956921973_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_956921973_b.pdb or /var/tmp/from_scwrl_956921973_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_956921973_a.pdb or decoys//var/tmp/from_scwrl_956921973_a.pdb.gz for input Trying /var/tmp/from_scwrl_956921973_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_956921973_a.pdb or /var/tmp/from_scwrl_956921973_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_956921973.pdb or /var/tmp/from_scwrl_956921973_b.pdb or /var/tmp/from_scwrl_956921973_a.pdb Error: no new SCWRL conformation added # naming current conformation forecast-s_AL2-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL3.pdb.gz looking for model 1 Skipped atom 121, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 122, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 123, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 124, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 505, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 506, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 507, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 508, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 513, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 514, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 515, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 516, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 521, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 522, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 523, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 524, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 529, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 530, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 531, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 532, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 537, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 538, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 539, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 540, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 545, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 546, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 547, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 548, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 553, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 554, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 555, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 556, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 561, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 562, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 563, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 564, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 569, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 570, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 571, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 572, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 577, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 578, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 579, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 580, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 585, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 586, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 587, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 588, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 593, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 594, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 595, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 596, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 601, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 602, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 603, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 604, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz # WARNING: incomplete conformation T0331 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 135 ; scwrl3 -i /var/tmp/to_scwrl_1688461064.pdb -s /var/tmp/to_scwrl_1688461064.seq -o /var/tmp/from_scwrl_1688461064.pdb > /var/tmp/scwrl_1688461064.log sh: /var/tmp/scwrl_1688461064.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1688461064.pdb or /var/tmp/from_scwrl_1688461064.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1688461064_b.pdb or decoys//var/tmp/from_scwrl_1688461064_b.pdb.gz for input Trying /var/tmp/from_scwrl_1688461064_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1688461064_b.pdb or /var/tmp/from_scwrl_1688461064_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1688461064_a.pdb or decoys//var/tmp/from_scwrl_1688461064_a.pdb.gz for input Trying /var/tmp/from_scwrl_1688461064_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1688461064_a.pdb or /var/tmp/from_scwrl_1688461064_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1688461064.pdb or /var/tmp/from_scwrl_1688461064_b.pdb or /var/tmp/from_scwrl_1688461064_a.pdb Error: no new SCWRL conformation added # naming current conformation forecast-s_AL3-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1238741380.pdb -s /var/tmp/to_scwrl_1238741380.seq -o /var/tmp/from_scwrl_1238741380.pdb > /var/tmp/scwrl_1238741380.log sh: /var/tmp/scwrl_1238741380.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1238741380.pdb or /var/tmp/from_scwrl_1238741380.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1238741380_b.pdb or decoys//var/tmp/from_scwrl_1238741380_b.pdb.gz for input Trying /var/tmp/from_scwrl_1238741380_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1238741380_b.pdb or /var/tmp/from_scwrl_1238741380_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1238741380_a.pdb or decoys//var/tmp/from_scwrl_1238741380_a.pdb.gz for input Trying /var/tmp/from_scwrl_1238741380_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1238741380_a.pdb or /var/tmp/from_scwrl_1238741380_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1238741380.pdb or /var/tmp/from_scwrl_1238741380_b.pdb or /var/tmp/from_scwrl_1238741380_a.pdb Error: no new SCWRL conformation added # naming current conformation forecast-s_AL4-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1807065553.pdb -s /var/tmp/to_scwrl_1807065553.seq -o /var/tmp/from_scwrl_1807065553.pdb > /var/tmp/scwrl_1807065553.log sh: /var/tmp/scwrl_1807065553.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1807065553.pdb or /var/tmp/from_scwrl_1807065553.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1807065553_b.pdb or decoys//var/tmp/from_scwrl_1807065553_b.pdb.gz for input Trying /var/tmp/from_scwrl_1807065553_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1807065553_b.pdb or /var/tmp/from_scwrl_1807065553_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1807065553_a.pdb or decoys//var/tmp/from_scwrl_1807065553_a.pdb.gz for input Trying /var/tmp/from_scwrl_1807065553_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1807065553_a.pdb or /var/tmp/from_scwrl_1807065553_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1807065553.pdb or /var/tmp/from_scwrl_1807065553_b.pdb or /var/tmp/from_scwrl_1807065553_a.pdb Error: no new SCWRL conformation added # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation gtg_AL1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_2126893833.pdb -s /var/tmp/to_scwrl_2126893833.seq -o /var/tmp/from_scwrl_2126893833.pdb > /var/tmp/scwrl_2126893833.log sh: /var/tmp/scwrl_2126893833.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2126893833.pdb or /var/tmp/from_scwrl_2126893833.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2126893833_b.pdb or decoys//var/tmp/from_scwrl_2126893833_b.pdb.gz for input Trying /var/tmp/from_scwrl_2126893833_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2126893833_b.pdb or /var/tmp/from_scwrl_2126893833_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2126893833_a.pdb or decoys//var/tmp/from_scwrl_2126893833_a.pdb.gz for input Trying /var/tmp/from_scwrl_2126893833_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2126893833_a.pdb or /var/tmp/from_scwrl_2126893833_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2126893833.pdb or /var/tmp/from_scwrl_2126893833_b.pdb or /var/tmp/from_scwrl_2126893833_a.pdb Error: no new SCWRL conformation added # naming current conformation gtg_AL1-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation gtg_AL2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_313988052.pdb -s /var/tmp/to_scwrl_313988052.seq -o /var/tmp/from_scwrl_313988052.pdb > /var/tmp/scwrl_313988052.log sh: /var/tmp/scwrl_313988052.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_313988052.pdb or /var/tmp/from_scwrl_313988052.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_313988052_b.pdb or decoys//var/tmp/from_scwrl_313988052_b.pdb.gz for input Trying /var/tmp/from_scwrl_313988052_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_313988052_b.pdb or /var/tmp/from_scwrl_313988052_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_313988052_a.pdb or decoys//var/tmp/from_scwrl_313988052_a.pdb.gz for input Trying /var/tmp/from_scwrl_313988052_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_313988052_a.pdb or /var/tmp/from_scwrl_313988052_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_313988052.pdb or /var/tmp/from_scwrl_313988052_b.pdb or /var/tmp/from_scwrl_313988052_a.pdb Error: no new SCWRL conformation added # naming current conformation gtg_AL2-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation gtg_AL3 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_133716390.pdb -s /var/tmp/to_scwrl_133716390.seq -o /var/tmp/from_scwrl_133716390.pdb > /var/tmp/scwrl_133716390.log sh: /var/tmp/scwrl_133716390.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_133716390.pdb or /var/tmp/from_scwrl_133716390.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_133716390_b.pdb or decoys//var/tmp/from_scwrl_133716390_b.pdb.gz for input Trying /var/tmp/from_scwrl_133716390_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_133716390_b.pdb or /var/tmp/from_scwrl_133716390_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_133716390_a.pdb or decoys//var/tmp/from_scwrl_133716390_a.pdb.gz for input Trying /var/tmp/from_scwrl_133716390_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_133716390_a.pdb or /var/tmp/from_scwrl_133716390_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_133716390.pdb or /var/tmp/from_scwrl_133716390_b.pdb or /var/tmp/from_scwrl_133716390_a.pdb Error: no new SCWRL conformation added # naming current conformation gtg_AL3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 114 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_479682378.pdb -s /var/tmp/to_scwrl_479682378.seq -o /var/tmp/from_scwrl_479682378.pdb > /var/tmp/scwrl_479682378.log sh: /var/tmp/scwrl_479682378.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_479682378.pdb or /var/tmp/from_scwrl_479682378.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_479682378_b.pdb or decoys//var/tmp/from_scwrl_479682378_b.pdb.gz for input Trying /var/tmp/from_scwrl_479682378_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_479682378_b.pdb or /var/tmp/from_scwrl_479682378_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_479682378_a.pdb or decoys//var/tmp/from_scwrl_479682378_a.pdb.gz for input Trying /var/tmp/from_scwrl_479682378_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_479682378_a.pdb or /var/tmp/from_scwrl_479682378_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_479682378.pdb or /var/tmp/from_scwrl_479682378_b.pdb or /var/tmp/from_scwrl_479682378_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv.2_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS2.pdb.gz looking for model 1 # Found a chain break before 114 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1406616775.pdb -s /var/tmp/to_scwrl_1406616775.seq -o /var/tmp/from_scwrl_1406616775.pdb > /var/tmp/scwrl_1406616775.log sh: /var/tmp/scwrl_1406616775.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1406616775.pdb or /var/tmp/from_scwrl_1406616775.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1406616775_b.pdb or decoys//var/tmp/from_scwrl_1406616775_b.pdb.gz for input Trying /var/tmp/from_scwrl_1406616775_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1406616775_b.pdb or /var/tmp/from_scwrl_1406616775_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1406616775_a.pdb or decoys//var/tmp/from_scwrl_1406616775_a.pdb.gz for input Trying /var/tmp/from_scwrl_1406616775_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1406616775_a.pdb or /var/tmp/from_scwrl_1406616775_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1406616775.pdb or /var/tmp/from_scwrl_1406616775_b.pdb or /var/tmp/from_scwrl_1406616775_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv.2_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS3.pdb.gz looking for model 1 # Found a chain break before 14 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1922403049.pdb -s /var/tmp/to_scwrl_1922403049.seq -o /var/tmp/from_scwrl_1922403049.pdb > /var/tmp/scwrl_1922403049.log sh: /var/tmp/scwrl_1922403049.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1922403049.pdb or /var/tmp/from_scwrl_1922403049.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1922403049_b.pdb or decoys//var/tmp/from_scwrl_1922403049_b.pdb.gz for input Trying /var/tmp/from_scwrl_1922403049_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1922403049_b.pdb or /var/tmp/from_scwrl_1922403049_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1922403049_a.pdb or decoys//var/tmp/from_scwrl_1922403049_a.pdb.gz for input Trying /var/tmp/from_scwrl_1922403049_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1922403049_a.pdb or /var/tmp/from_scwrl_1922403049_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1922403049.pdb or /var/tmp/from_scwrl_1922403049_b.pdb or /var/tmp/from_scwrl_1922403049_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 141 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1861001477.pdb -s /var/tmp/to_scwrl_1861001477.seq -o /var/tmp/from_scwrl_1861001477.pdb > /var/tmp/scwrl_1861001477.log sh: /var/tmp/scwrl_1861001477.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1861001477.pdb or /var/tmp/from_scwrl_1861001477.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1861001477_b.pdb or decoys//var/tmp/from_scwrl_1861001477_b.pdb.gz for input Trying /var/tmp/from_scwrl_1861001477_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1861001477_b.pdb or /var/tmp/from_scwrl_1861001477_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1861001477_a.pdb or decoys//var/tmp/from_scwrl_1861001477_a.pdb.gz for input Trying /var/tmp/from_scwrl_1861001477_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1861001477_a.pdb or /var/tmp/from_scwrl_1861001477_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1861001477.pdb or /var/tmp/from_scwrl_1861001477_b.pdb or /var/tmp/from_scwrl_1861001477_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv.2_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS5.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1807536227.pdb -s /var/tmp/to_scwrl_1807536227.seq -o /var/tmp/from_scwrl_1807536227.pdb > /var/tmp/scwrl_1807536227.log sh: /var/tmp/scwrl_1807536227.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1807536227.pdb or /var/tmp/from_scwrl_1807536227.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1807536227_b.pdb or decoys//var/tmp/from_scwrl_1807536227_b.pdb.gz for input Trying /var/tmp/from_scwrl_1807536227_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1807536227_b.pdb or /var/tmp/from_scwrl_1807536227_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1807536227_a.pdb or decoys//var/tmp/from_scwrl_1807536227_a.pdb.gz for input Trying /var/tmp/from_scwrl_1807536227_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1807536227_a.pdb or /var/tmp/from_scwrl_1807536227_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1807536227.pdb or /var/tmp/from_scwrl_1807536227_b.pdb or /var/tmp/from_scwrl_1807536227_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv.2_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0331)T46.O and (T0331)S47.N only 0.000 apart, marking (T0331)S47.N as missing # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1203977265.pdb -s /var/tmp/to_scwrl_1203977265.seq -o /var/tmp/from_scwrl_1203977265.pdb > /var/tmp/scwrl_1203977265.log sh: /var/tmp/scwrl_1203977265.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1203977265.pdb or /var/tmp/from_scwrl_1203977265.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1203977265_b.pdb or decoys//var/tmp/from_scwrl_1203977265_b.pdb.gz for input Trying /var/tmp/from_scwrl_1203977265_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1203977265_b.pdb or /var/tmp/from_scwrl_1203977265_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1203977265_a.pdb or decoys//var/tmp/from_scwrl_1203977265_a.pdb.gz for input Trying /var/tmp/from_scwrl_1203977265_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1203977265_a.pdb or /var/tmp/from_scwrl_1203977265_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1203977265.pdb or /var/tmp/from_scwrl_1203977265_b.pdb or /var/tmp/from_scwrl_1203977265_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv.4_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS2.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1708089748.pdb -s /var/tmp/to_scwrl_1708089748.seq -o /var/tmp/from_scwrl_1708089748.pdb > /var/tmp/scwrl_1708089748.log sh: /var/tmp/scwrl_1708089748.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1708089748.pdb or /var/tmp/from_scwrl_1708089748.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1708089748_b.pdb or decoys//var/tmp/from_scwrl_1708089748_b.pdb.gz for input Trying /var/tmp/from_scwrl_1708089748_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1708089748_b.pdb or /var/tmp/from_scwrl_1708089748_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1708089748_a.pdb or decoys//var/tmp/from_scwrl_1708089748_a.pdb.gz for input Trying /var/tmp/from_scwrl_1708089748_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1708089748_a.pdb or /var/tmp/from_scwrl_1708089748_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1708089748.pdb or /var/tmp/from_scwrl_1708089748_b.pdb or /var/tmp/from_scwrl_1708089748_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv.4_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 WARNING: atoms too close: (T0331)T46.O and (T0331)S47.N only 0.000 apart, marking (T0331)S47.N as missing WARNING: atoms too close: (T0331)Y100.O and (T0331)Y101.N only 0.000 apart, marking (T0331)Y101.N as missing WARNING: atoms too close: (T0331)Y101.O and (T0331)Q102.N only 0.000 apart, marking (T0331)Y101.O as missing # WARNING: incomplete conformation T0331 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 135 ; scwrl3 -i /var/tmp/to_scwrl_2010428612.pdb -s /var/tmp/to_scwrl_2010428612.seq -o /var/tmp/from_scwrl_2010428612.pdb > /var/tmp/scwrl_2010428612.log sh: /var/tmp/scwrl_2010428612.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2010428612.pdb or /var/tmp/from_scwrl_2010428612.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2010428612_b.pdb or decoys//var/tmp/from_scwrl_2010428612_b.pdb.gz for input Trying /var/tmp/from_scwrl_2010428612_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2010428612_b.pdb or /var/tmp/from_scwrl_2010428612_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2010428612_a.pdb or decoys//var/tmp/from_scwrl_2010428612_a.pdb.gz for input Trying /var/tmp/from_scwrl_2010428612_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2010428612_a.pdb or /var/tmp/from_scwrl_2010428612_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2010428612.pdb or /var/tmp/from_scwrl_2010428612_b.pdb or /var/tmp/from_scwrl_2010428612_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv.4_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS4.pdb.gz looking for model 1 WARNING: atoms too close: (T0331)I9.O and (T0331)L10.N only 0.000 apart, marking (T0331)L10.N as missing # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_657264205.pdb -s /var/tmp/to_scwrl_657264205.seq -o /var/tmp/from_scwrl_657264205.pdb > /var/tmp/scwrl_657264205.log sh: /var/tmp/scwrl_657264205.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_657264205.pdb or /var/tmp/from_scwrl_657264205.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_657264205_b.pdb or decoys//var/tmp/from_scwrl_657264205_b.pdb.gz for input Trying /var/tmp/from_scwrl_657264205_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_657264205_b.pdb or /var/tmp/from_scwrl_657264205_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_657264205_a.pdb or decoys//var/tmp/from_scwrl_657264205_a.pdb.gz for input Trying /var/tmp/from_scwrl_657264205_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_657264205_a.pdb or /var/tmp/from_scwrl_657264205_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_657264205.pdb or /var/tmp/from_scwrl_657264205_b.pdb or /var/tmp/from_scwrl_657264205_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv.4_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS5.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1415025790.pdb -s /var/tmp/to_scwrl_1415025790.seq -o /var/tmp/from_scwrl_1415025790.pdb > /var/tmp/scwrl_1415025790.log sh: /var/tmp/scwrl_1415025790.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1415025790.pdb or /var/tmp/from_scwrl_1415025790.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1415025790_b.pdb or decoys//var/tmp/from_scwrl_1415025790_b.pdb.gz for input Trying /var/tmp/from_scwrl_1415025790_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1415025790_b.pdb or /var/tmp/from_scwrl_1415025790_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1415025790_a.pdb or decoys//var/tmp/from_scwrl_1415025790_a.pdb.gz for input Trying /var/tmp/from_scwrl_1415025790_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1415025790_a.pdb or /var/tmp/from_scwrl_1415025790_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1415025790.pdb or /var/tmp/from_scwrl_1415025790_b.pdb or /var/tmp/from_scwrl_1415025790_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv.4_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_517666856.pdb -s /var/tmp/to_scwrl_517666856.seq -o /var/tmp/from_scwrl_517666856.pdb > /var/tmp/scwrl_517666856.log sh: /var/tmp/scwrl_517666856.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_517666856.pdb or /var/tmp/from_scwrl_517666856.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_517666856_b.pdb or decoys//var/tmp/from_scwrl_517666856_b.pdb.gz for input Trying /var/tmp/from_scwrl_517666856_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_517666856_b.pdb or /var/tmp/from_scwrl_517666856_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_517666856_a.pdb or decoys//var/tmp/from_scwrl_517666856_a.pdb.gz for input Trying /var/tmp/from_scwrl_517666856_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_517666856_a.pdb or /var/tmp/from_scwrl_517666856_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_517666856.pdb or /var/tmp/from_scwrl_517666856_b.pdb or /var/tmp/from_scwrl_517666856_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1926127373.pdb -s /var/tmp/to_scwrl_1926127373.seq -o /var/tmp/from_scwrl_1926127373.pdb > /var/tmp/scwrl_1926127373.log sh: /var/tmp/scwrl_1926127373.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1926127373.pdb or /var/tmp/from_scwrl_1926127373.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1926127373_b.pdb or decoys//var/tmp/from_scwrl_1926127373_b.pdb.gz for input Trying /var/tmp/from_scwrl_1926127373_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1926127373_b.pdb or /var/tmp/from_scwrl_1926127373_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1926127373_a.pdb or decoys//var/tmp/from_scwrl_1926127373_a.pdb.gz for input Trying /var/tmp/from_scwrl_1926127373_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1926127373_a.pdb or /var/tmp/from_scwrl_1926127373_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1926127373.pdb or /var/tmp/from_scwrl_1926127373_b.pdb or /var/tmp/from_scwrl_1926127373_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_330704504.pdb -s /var/tmp/to_scwrl_330704504.seq -o /var/tmp/from_scwrl_330704504.pdb > /var/tmp/scwrl_330704504.log sh: /var/tmp/scwrl_330704504.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_330704504.pdb or /var/tmp/from_scwrl_330704504.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_330704504_b.pdb or decoys//var/tmp/from_scwrl_330704504_b.pdb.gz for input Trying /var/tmp/from_scwrl_330704504_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_330704504_b.pdb or /var/tmp/from_scwrl_330704504_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_330704504_a.pdb or decoys//var/tmp/from_scwrl_330704504_a.pdb.gz for input Trying /var/tmp/from_scwrl_330704504_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_330704504_a.pdb or /var/tmp/from_scwrl_330704504_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_330704504.pdb or /var/tmp/from_scwrl_330704504_b.pdb or /var/tmp/from_scwrl_330704504_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_739939400.pdb -s /var/tmp/to_scwrl_739939400.seq -o /var/tmp/from_scwrl_739939400.pdb > /var/tmp/scwrl_739939400.log sh: /var/tmp/scwrl_739939400.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_739939400.pdb or /var/tmp/from_scwrl_739939400.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_739939400_b.pdb or decoys//var/tmp/from_scwrl_739939400_b.pdb.gz for input Trying /var/tmp/from_scwrl_739939400_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_739939400_b.pdb or /var/tmp/from_scwrl_739939400_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_739939400_a.pdb or decoys//var/tmp/from_scwrl_739939400_a.pdb.gz for input Trying /var/tmp/from_scwrl_739939400_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_739939400_a.pdb or /var/tmp/from_scwrl_739939400_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_739939400.pdb or /var/tmp/from_scwrl_739939400_b.pdb or /var/tmp/from_scwrl_739939400_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_2030133306.pdb -s /var/tmp/to_scwrl_2030133306.seq -o /var/tmp/from_scwrl_2030133306.pdb > /var/tmp/scwrl_2030133306.log sh: /var/tmp/scwrl_2030133306.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2030133306.pdb or /var/tmp/from_scwrl_2030133306.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2030133306_b.pdb or decoys//var/tmp/from_scwrl_2030133306_b.pdb.gz for input Trying /var/tmp/from_scwrl_2030133306_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2030133306_b.pdb or /var/tmp/from_scwrl_2030133306_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2030133306_a.pdb or decoys//var/tmp/from_scwrl_2030133306_a.pdb.gz for input Trying /var/tmp/from_scwrl_2030133306_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2030133306_a.pdb or /var/tmp/from_scwrl_2030133306_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2030133306.pdb or /var/tmp/from_scwrl_2030133306_b.pdb or /var/tmp/from_scwrl_2030133306_a.pdb Error: no new SCWRL conformation added # naming current conformation karypis.srv_TS5-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1111472251.pdb -s /var/tmp/to_scwrl_1111472251.seq -o /var/tmp/from_scwrl_1111472251.pdb > /var/tmp/scwrl_1111472251.log sh: /var/tmp/scwrl_1111472251.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1111472251.pdb or /var/tmp/from_scwrl_1111472251.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1111472251_b.pdb or decoys//var/tmp/from_scwrl_1111472251_b.pdb.gz for input Trying /var/tmp/from_scwrl_1111472251_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1111472251_b.pdb or /var/tmp/from_scwrl_1111472251_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1111472251_a.pdb or decoys//var/tmp/from_scwrl_1111472251_a.pdb.gz for input Trying /var/tmp/from_scwrl_1111472251_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1111472251_a.pdb or /var/tmp/from_scwrl_1111472251_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1111472251.pdb or /var/tmp/from_scwrl_1111472251_b.pdb or /var/tmp/from_scwrl_1111472251_a.pdb Error: no new SCWRL conformation added # naming current conformation keasar-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_871530716.pdb -s /var/tmp/to_scwrl_871530716.seq -o /var/tmp/from_scwrl_871530716.pdb > /var/tmp/scwrl_871530716.log sh: /var/tmp/scwrl_871530716.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_871530716.pdb or /var/tmp/from_scwrl_871530716.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_871530716_b.pdb or decoys//var/tmp/from_scwrl_871530716_b.pdb.gz for input Trying /var/tmp/from_scwrl_871530716_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_871530716_b.pdb or /var/tmp/from_scwrl_871530716_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_871530716_a.pdb or decoys//var/tmp/from_scwrl_871530716_a.pdb.gz for input Trying /var/tmp/from_scwrl_871530716_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_871530716_a.pdb or /var/tmp/from_scwrl_871530716_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_871530716.pdb or /var/tmp/from_scwrl_871530716_b.pdb or /var/tmp/from_scwrl_871530716_a.pdb Error: no new SCWRL conformation added # naming current conformation keasar-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1650955168.pdb -s /var/tmp/to_scwrl_1650955168.seq -o /var/tmp/from_scwrl_1650955168.pdb > /var/tmp/scwrl_1650955168.log sh: /var/tmp/scwrl_1650955168.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1650955168.pdb or /var/tmp/from_scwrl_1650955168.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1650955168_b.pdb or decoys//var/tmp/from_scwrl_1650955168_b.pdb.gz for input Trying /var/tmp/from_scwrl_1650955168_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1650955168_b.pdb or /var/tmp/from_scwrl_1650955168_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1650955168_a.pdb or decoys//var/tmp/from_scwrl_1650955168_a.pdb.gz for input Trying /var/tmp/from_scwrl_1650955168_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1650955168_a.pdb or /var/tmp/from_scwrl_1650955168_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1650955168.pdb or /var/tmp/from_scwrl_1650955168_b.pdb or /var/tmp/from_scwrl_1650955168_a.pdb Error: no new SCWRL conformation added # naming current conformation keasar-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_791443909.pdb -s /var/tmp/to_scwrl_791443909.seq -o /var/tmp/from_scwrl_791443909.pdb > /var/tmp/scwrl_791443909.log sh: /var/tmp/scwrl_791443909.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_791443909.pdb or /var/tmp/from_scwrl_791443909.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_791443909_b.pdb or decoys//var/tmp/from_scwrl_791443909_b.pdb.gz for input Trying /var/tmp/from_scwrl_791443909_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_791443909_b.pdb or /var/tmp/from_scwrl_791443909_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_791443909_a.pdb or decoys//var/tmp/from_scwrl_791443909_a.pdb.gz for input Trying /var/tmp/from_scwrl_791443909_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_791443909_a.pdb or /var/tmp/from_scwrl_791443909_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_791443909.pdb or /var/tmp/from_scwrl_791443909_b.pdb or /var/tmp/from_scwrl_791443909_a.pdb Error: no new SCWRL conformation added # naming current conformation keasar-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_2071717677.pdb -s /var/tmp/to_scwrl_2071717677.seq -o /var/tmp/from_scwrl_2071717677.pdb > /var/tmp/scwrl_2071717677.log sh: /var/tmp/scwrl_2071717677.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_2071717677.pdb or /var/tmp/from_scwrl_2071717677.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2071717677_b.pdb or decoys//var/tmp/from_scwrl_2071717677_b.pdb.gz for input Trying /var/tmp/from_scwrl_2071717677_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2071717677_b.pdb or /var/tmp/from_scwrl_2071717677_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2071717677_a.pdb or decoys//var/tmp/from_scwrl_2071717677_a.pdb.gz for input Trying /var/tmp/from_scwrl_2071717677_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2071717677_a.pdb or /var/tmp/from_scwrl_2071717677_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2071717677.pdb or /var/tmp/from_scwrl_2071717677_b.pdb or /var/tmp/from_scwrl_2071717677_a.pdb Error: no new SCWRL conformation added # naming current conformation keasar-server_TS5-scwrl # ReadConformPDB reading from PDB file servers/mGen-3D_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1073397263.pdb -s /var/tmp/to_scwrl_1073397263.seq -o /var/tmp/from_scwrl_1073397263.pdb > /var/tmp/scwrl_1073397263.log sh: /var/tmp/scwrl_1073397263.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1073397263.pdb or /var/tmp/from_scwrl_1073397263.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1073397263_b.pdb or decoys//var/tmp/from_scwrl_1073397263_b.pdb.gz for input Trying /var/tmp/from_scwrl_1073397263_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1073397263_b.pdb or /var/tmp/from_scwrl_1073397263_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1073397263_a.pdb or decoys//var/tmp/from_scwrl_1073397263_a.pdb.gz for input Trying /var/tmp/from_scwrl_1073397263_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1073397263_a.pdb or /var/tmp/from_scwrl_1073397263_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1073397263.pdb or /var/tmp/from_scwrl_1073397263_b.pdb or /var/tmp/from_scwrl_1073397263_a.pdb Error: no new SCWRL conformation added # naming current conformation mGen-3D_TS1-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1632649730.pdb -s /var/tmp/to_scwrl_1632649730.seq -o /var/tmp/from_scwrl_1632649730.pdb > /var/tmp/scwrl_1632649730.log sh: /var/tmp/scwrl_1632649730.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1632649730.pdb or /var/tmp/from_scwrl_1632649730.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1632649730_b.pdb or decoys//var/tmp/from_scwrl_1632649730_b.pdb.gz for input Trying /var/tmp/from_scwrl_1632649730_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1632649730_b.pdb or /var/tmp/from_scwrl_1632649730_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1632649730_a.pdb or decoys//var/tmp/from_scwrl_1632649730_a.pdb.gz for input Trying /var/tmp/from_scwrl_1632649730_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1632649730_a.pdb or /var/tmp/from_scwrl_1632649730_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1632649730.pdb or /var/tmp/from_scwrl_1632649730_b.pdb or /var/tmp/from_scwrl_1632649730_a.pdb Error: no new SCWRL conformation added # naming current conformation nFOLD_TS1-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1069838728.pdb -s /var/tmp/to_scwrl_1069838728.seq -o /var/tmp/from_scwrl_1069838728.pdb > /var/tmp/scwrl_1069838728.log sh: /var/tmp/scwrl_1069838728.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1069838728.pdb or /var/tmp/from_scwrl_1069838728.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1069838728_b.pdb or decoys//var/tmp/from_scwrl_1069838728_b.pdb.gz for input Trying /var/tmp/from_scwrl_1069838728_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1069838728_b.pdb or /var/tmp/from_scwrl_1069838728_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1069838728_a.pdb or decoys//var/tmp/from_scwrl_1069838728_a.pdb.gz for input Trying /var/tmp/from_scwrl_1069838728_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1069838728_a.pdb or /var/tmp/from_scwrl_1069838728_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1069838728.pdb or /var/tmp/from_scwrl_1069838728_b.pdb or /var/tmp/from_scwrl_1069838728_a.pdb Error: no new SCWRL conformation added # naming current conformation nFOLD_TS2-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_1772021522.pdb -s /var/tmp/to_scwrl_1772021522.seq -o /var/tmp/from_scwrl_1772021522.pdb > /var/tmp/scwrl_1772021522.log sh: /var/tmp/scwrl_1772021522.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_1772021522.pdb or /var/tmp/from_scwrl_1772021522.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1772021522_b.pdb or decoys//var/tmp/from_scwrl_1772021522_b.pdb.gz for input Trying /var/tmp/from_scwrl_1772021522_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1772021522_b.pdb or /var/tmp/from_scwrl_1772021522_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1772021522_a.pdb or decoys//var/tmp/from_scwrl_1772021522_a.pdb.gz for input Trying /var/tmp/from_scwrl_1772021522_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1772021522_a.pdb or /var/tmp/from_scwrl_1772021522_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1772021522.pdb or /var/tmp/from_scwrl_1772021522_b.pdb or /var/tmp/from_scwrl_1772021522_a.pdb Error: no new SCWRL conformation added # naming current conformation nFOLD_TS3-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_442088056.pdb -s /var/tmp/to_scwrl_442088056.seq -o /var/tmp/from_scwrl_442088056.pdb > /var/tmp/scwrl_442088056.log sh: /var/tmp/scwrl_442088056.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_442088056.pdb or /var/tmp/from_scwrl_442088056.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_442088056_b.pdb or decoys//var/tmp/from_scwrl_442088056_b.pdb.gz for input Trying /var/tmp/from_scwrl_442088056_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_442088056_b.pdb or /var/tmp/from_scwrl_442088056_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_442088056_a.pdb or decoys//var/tmp/from_scwrl_442088056_a.pdb.gz for input Trying /var/tmp/from_scwrl_442088056_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_442088056_a.pdb or /var/tmp/from_scwrl_442088056_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_442088056.pdb or /var/tmp/from_scwrl_442088056_b.pdb or /var/tmp/from_scwrl_442088056_a.pdb Error: no new SCWRL conformation added # naming current conformation nFOLD_TS4-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_610816145.pdb -s /var/tmp/to_scwrl_610816145.seq -o /var/tmp/from_scwrl_610816145.pdb > /var/tmp/scwrl_610816145.log sh: /var/tmp/scwrl_610816145.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_610816145.pdb or /var/tmp/from_scwrl_610816145.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_610816145_b.pdb or decoys//var/tmp/from_scwrl_610816145_b.pdb.gz for input Trying /var/tmp/from_scwrl_610816145_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_610816145_b.pdb or /var/tmp/from_scwrl_610816145_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_610816145_a.pdb or decoys//var/tmp/from_scwrl_610816145_a.pdb.gz for input Trying /var/tmp/from_scwrl_610816145_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_610816145_a.pdb or /var/tmp/from_scwrl_610816145_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_610816145.pdb or /var/tmp/from_scwrl_610816145_b.pdb or /var/tmp/from_scwrl_610816145_a.pdb Error: no new SCWRL conformation added # naming current conformation nFOLD_TS5-scwrl # ReadConformPDB reading from PDB file servers/panther2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0331 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_863279256.pdb -s /var/tmp/to_scwrl_863279256.seq -o /var/tmp/from_scwrl_863279256.pdb > /var/tmp/scwrl_863279256.log sh: /var/tmp/scwrl_863279256.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_863279256.pdb or /var/tmp/from_scwrl_863279256.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_863279256_b.pdb or decoys//var/tmp/from_scwrl_863279256_b.pdb.gz for input Trying /var/tmp/from_scwrl_863279256_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_863279256_b.pdb or /var/tmp/from_scwrl_863279256_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_863279256_a.pdb or decoys//var/tmp/from_scwrl_863279256_a.pdb.gz for input Trying /var/tmp/from_scwrl_863279256_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_863279256_a.pdb or /var/tmp/from_scwrl_863279256_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_863279256.pdb or /var/tmp/from_scwrl_863279256_b.pdb or /var/tmp/from_scwrl_863279256_a.pdb Error: no new SCWRL conformation added # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 135 ; scwrl3 -i /var/tmp/to_scwrl_101669963.pdb -s /var/tmp/to_scwrl_101669963.seq -o /var/tmp/from_scwrl_101669963.pdb > /var/tmp/scwrl_101669963.log sh: /var/tmp/scwrl_101669963.log: No space left on device Error: Couldn't open file /var/tmp/from_scwrl_101669963.pdb or /var/tmp/from_scwrl_101669963.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_101669963_b.pdb or decoys//var/tmp/from_scwrl_101669963_b.pdb.gz for input Trying /var/tmp/from_scwrl_101669963_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_101669963_b.pdb or /var/tmp/from_scwrl_101669963_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_101669963_a.pdb or decoys//var/tmp/from_scwrl_101669963_a.pdb.gz for input Trying /var/tmp/from_scwrl_101669963_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_101669963_a.pdb or /var/tmp/from_scwrl_101669963_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_101669963.pdb or /var/tmp/from_scwrl_101669963_b.pdb or /var/tmp/from_scwrl_101669963_a.pdb Error: no new SCWRL conformation added # naming current conformation shub_TS1-scwrl # command:CPU_time= 33.995 sec, elapsed time= 47.539 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 61.028 real_cost = -63.183 panther2_TS1-scwrl costs 87.047 real_cost = 146.578 nFOLD_TS5-scwrl costs 74.341 real_cost = 232.474 nFOLD_TS4-scwrl costs 72.095 real_cost = 106.153 nFOLD_TS3-scwrl costs 78.790 real_cost = 214.638 nFOLD_TS2-scwrl costs 66.077 real_cost = 123.126 nFOLD_TS1-scwrl costs 65.992 real_cost = 98.370 mGen-3D_TS1-scwrl costs 68.602 real_cost = 86.934 keasar-server_TS5-scwrl costs 87.509 real_cost = 72.216 keasar-server_TS4-scwrl costs 93.590 real_cost = 42.577 keasar-server_TS3-scwrl costs 102.011 real_cost = 57.342 keasar-server_TS2-scwrl costs 89.087 real_cost = 95.552 keasar-server_TS1-scwrl costs 102.011 real_cost = 57.342 karypis.srv_TS5-scwrl costs 77.944 real_cost = 261.253 karypis.srv_TS4-scwrl costs 76.704 real_cost = 55.585 karypis.srv_TS3-scwrl costs 55.292 real_cost = -43.417 karypis.srv_TS2-scwrl costs 59.818 real_cost = -8.636 karypis.srv_TS1-scwrl costs 62.912 real_cost = 30.074 karypis.srv.4_TS5-scwrl costs 145.579 real_cost = 287.391 karypis.srv.4_TS4-scwrl costs 147.535 real_cost = 354.296 karypis.srv.4_TS3-scwrl costs 168.459 real_cost = 357.531 karypis.srv.4_TS2-scwrl costs 148.170 real_cost = 327.176 karypis.srv.4_TS1-scwrl costs 146.066 real_cost = 336.042 karypis.srv.2_TS5-scwrl costs 79.973 real_cost = 259.292 karypis.srv.2_TS4-scwrl costs 77.803 real_cost = -37.962 karypis.srv.2_TS3-scwrl costs 60.509 real_cost = 32.082 karypis.srv.2_TS2-scwrl costs 61.575 real_cost = -25.109 karypis.srv.2_TS1-scwrl costs 72.551 real_cost = -59.159 gtg_AL3-scwrl costs 121.543 real_cost = 555.386 gtg_AL2-scwrl costs 155.745 real_cost = 542.190 gtg_AL1-scwrl costs 149.377 real_cost = 537.511 forecast-s_AL5-scwrl costs 100.451 real_cost = 356.858 forecast-s_AL4-scwrl costs 108.381 real_cost = 417.199 forecast-s_AL3-scwrl costs 113.227 real_cost = 359.800 forecast-s_AL2-scwrl costs 85.300 real_cost = 151.964 forecast-s_AL1-scwrl costs 84.596 real_cost = 201.974 beautshotbase_TS1-scwrl costs 79.993 real_cost = 10.200 beautshot_TS1-scwrl costs 69.998 real_cost = -46.383 Zhang-Server_TS5-scwrl costs 60.097 real_cost = -30.565 Zhang-Server_TS4-scwrl costs 61.453 real_cost = -31.818 Zhang-Server_TS3-scwrl costs 61.444 real_cost = -14.704 Zhang-Server_TS2-scwrl costs 87.346 real_cost = 17.660 Zhang-Server_TS1-scwrl costs 57.169 real_cost = -3.749 UNI-EID_sfst_AL5-scwrl costs 84.133 real_cost = 178.070 UNI-EID_sfst_AL4-scwrl costs 77.387 real_cost = 182.224 UNI-EID_sfst_AL3-scwrl costs 77.994 real_cost = 173.792 UNI-EID_sfst_AL2-scwrl costs 76.417 real_cost = 182.565 UNI-EID_sfst_AL1-scwrl costs 80.798 real_cost = 180.931 UNI-EID_expm_TS1-scwrl costs 86.986 real_cost = 84.071 UNI-EID_bnmx_TS5-scwrl costs 70.455 real_cost = 84.340 UNI-EID_bnmx_TS4-scwrl costs 68.630 real_cost = 101.219 UNI-EID_bnmx_TS3-scwrl costs 67.858 real_cost = 101.595 UNI-EID_bnmx_TS2-scwrl costs 70.810 real_cost = 115.937 UNI-EID_bnmx_TS1-scwrl costs 66.977 real_cost = 79.945 SPARKS2_TS5-scwrl costs 55.227 real_cost = 23.989 SPARKS2_TS4-scwrl costs 72.053 real_cost = 155.060 SPARKS2_TS3-scwrl costs 59.475 real_cost = -32.962 SPARKS2_TS2-scwrl costs 58.755 real_cost = -31.468 SPARKS2_TS1-scwrl costs 66.135 real_cost = 118.048 SP4_TS5-scwrl costs 58.141 real_cost = -6.132 SP4_TS4-scwrl costs 57.568 real_cost = 15.509 SP4_TS3-scwrl costs 53.073 real_cost = -21.101 SP4_TS2-scwrl costs 52.612 real_cost = -57.024 SP4_TS1-scwrl costs 56.158 real_cost = -15.429 SP3_TS5-scwrl costs 63.136 real_cost = 15.503 SP3_TS4-scwrl costs 75.069 real_cost = 163.394 SP3_TS3-scwrl costs 66.693 real_cost = 108.114 SP3_TS2-scwrl costs 53.663 real_cost = -34.029 SP3_TS1-scwrl costs 55.891 real_cost = -18.935 SAM_T06_server_TS5-scwrl costs 93.107 real_cost = 200.403 SAM_T06_server_TS4-scwrl costs 78.342 real_cost = 191.180 SAM_T06_server_TS3-scwrl costs 83.945 real_cost = 214.479 SAM_T06_server_TS2-scwrl costs 71.842 real_cost = 174.350 SAM_T06_server_TS1-scwrl costs 72.007 real_cost = 101.128 SAM-T99_AL5-scwrl costs 84.388 real_cost = 209.331 SAM-T99_AL4-scwrl costs 70.041 real_cost = 260.229 SAM-T99_AL3-scwrl costs 71.750 real_cost = 243.829 SAM-T99_AL2-scwrl costs 70.883 real_cost = 242.850 SAM-T99_AL1-scwrl costs 71.623 real_cost = 243.745 SAM-T02_AL5-scwrl costs 67.356 real_cost = 250.435 SAM-T02_AL4-scwrl costs 69.792 real_cost = 247.900 SAM-T02_AL3-scwrl costs 72.132 real_cost = 260.528 SAM-T02_AL2-scwrl costs 69.876 real_cost = 256.039 SAM-T02_AL1-scwrl costs 69.567 real_cost = 251.544 ROKKY_TS5-scwrl costs 68.867 real_cost = 145.149 ROKKY_TS4-scwrl costs 65.853 real_cost = 140.405 ROKKY_TS3-scwrl costs 79.475 real_cost = 151.607 ROKKY_TS2-scwrl costs 69.530 real_cost = 156.639 ROKKY_TS1-scwrl costs 80.415 real_cost = 176.407 ROBETTA_TS5-scwrl costs 54.749 real_cost = -25.779 ROBETTA_TS4-scwrl costs 57.340 real_cost = -65.904 ROBETTA_TS3-scwrl costs 59.136 real_cost = -22.752 ROBETTA_TS2-scwrl costs 60.980 real_cost = -26.942 ROBETTA_TS1-scwrl costs 59.240 real_cost = -22.576 RAPTOR_TS5-scwrl costs 57.152 real_cost = -20.681 RAPTOR_TS4-scwrl costs 67.568 real_cost = -15.416 RAPTOR_TS3-scwrl costs 66.500 real_cost = -10.630 RAPTOR_TS2-scwrl costs 55.617 real_cost = 7.726 RAPTOR_TS1-scwrl costs 55.366 real_cost = -37.339 RAPTORESS_TS5-scwrl costs 64.048 real_cost = 1.985 RAPTORESS_TS4-scwrl costs 83.881 real_cost = 3.677 RAPTORESS_TS3-scwrl costs 74.972 real_cost = 15.131 RAPTORESS_TS2-scwrl costs 73.475 real_cost = 47.455 RAPTORESS_TS1-scwrl costs 63.984 real_cost = -7.120 RAPTOR-ACE_TS5-scwrl costs 65.145 real_cost = -60.861 RAPTOR-ACE_TS4-scwrl costs 55.845 real_cost = -31.531 RAPTOR-ACE_TS3-scwrl costs 54.857 real_cost = -32.083 RAPTOR-ACE_TS2-scwrl costs 53.663 real_cost = -34.029 RAPTOR-ACE_TS1-scwrl costs 55.891 real_cost = -18.935 Pmodeller6_TS5-scwrl costs 71.799 real_cost = -10.669 Pmodeller6_TS4-scwrl costs 54.749 real_cost = -25.779 Pmodeller6_TS3-scwrl costs 59.136 real_cost = -22.752 Pmodeller6_TS2-scwrl costs 57.340 real_cost = -65.904 Pmodeller6_TS1-scwrl costs 59.240 real_cost = -22.576 Phyre-2_TS5-scwrl costs 58.836 real_cost = -52.354 Phyre-2_TS4-scwrl costs 55.747 real_cost = -44.344 Phyre-2_TS3-scwrl costs 66.634 real_cost = -6.221 Phyre-2_TS2-scwrl costs 65.335 real_cost = -24.729 Phyre-2_TS1-scwrl costs 58.737 real_cost = -37.189 Phyre-1_TS1-scwrl costs 51.843 real_cost = -43.518 Pcons6_TS5-scwrl costs 62.989 real_cost = -6.822 Pcons6_TS4-scwrl costs 71.145 real_cost = 5.697 Pcons6_TS3-scwrl costs 65.092 real_cost = 7.919 Pcons6_TS2-scwrl costs 73.654 real_cost = -7.593 Pcons6_TS1-scwrl costs 73.687 real_cost = -15.977 PROTINFO_TS5-scwrl costs 83.473 real_cost = 129.790 PROTINFO_TS4-scwrl costs 75.300 real_cost = 105.026 PROTINFO_TS3-scwrl costs 74.515 real_cost = 127.755 PROTINFO_TS2-scwrl costs 67.742 real_cost = 126.665 PROTINFO_TS1-scwrl costs 75.546 real_cost = 130.021 PROTINFO-AB_TS5-scwrl costs 82.886 real_cost = 126.546 PROTINFO-AB_TS4-scwrl costs 83.887 real_cost = 124.667 PROTINFO-AB_TS3-scwrl costs 84.044 real_cost = 123.401 PROTINFO-AB_TS2-scwrl costs 83.838 real_cost = 129.447 PROTINFO-AB_TS1-scwrl costs 84.417 real_cost = 125.247 POMYSL_TS5-scwrl costs 115.139 real_cost = 352.411 POMYSL_TS4-scwrl costs 135.979 real_cost = 399.901 POMYSL_TS3-scwrl costs 135.601 real_cost = 329.111 POMYSL_TS2-scwrl costs 125.026 real_cost = 337.170 POMYSL_TS1-scwrl costs 133.770 real_cost = 344.538 NN_PUT_lab_TS1-scwrl costs 55.891 real_cost = -18.935 MetaTasser_TS5-scwrl costs 70.302 real_cost = 8.126 MetaTasser_TS4-scwrl costs 67.546 real_cost = 12.558 MetaTasser_TS3-scwrl costs 58.753 real_cost = -15.507 MetaTasser_TS2-scwrl costs 72.177 real_cost = -6.140 MetaTasser_TS1-scwrl costs 59.517 real_cost = -55.444 Ma-OPUS-server_TS5-scwrl costs 62.072 real_cost = -2.238 Ma-OPUS-server_TS4-scwrl costs 59.906 real_cost = -0.275 Ma-OPUS-server_TS3-scwrl costs 55.893 real_cost = -17.340 Ma-OPUS-server_TS2-scwrl costs 60.796 real_cost = 127.663 Ma-OPUS-server_TS1-scwrl costs 64.268 real_cost = -54.527 Ma-OPUS-server2_TS5-scwrl costs 74.001 real_cost = -35.193 Ma-OPUS-server2_TS4-scwrl costs 61.378 real_cost = -0.385 Ma-OPUS-server2_TS3-scwrl costs 54.160 real_cost = -23.603 Ma-OPUS-server2_TS2-scwrl costs 68.143 real_cost = 130.463 Ma-OPUS-server2_TS1-scwrl costs 63.076 real_cost = -36.903 LOOPP_TS5-scwrl costs 75.059 real_cost = 6.369 LOOPP_TS4-scwrl costs 74.442 real_cost = 67.791 LOOPP_TS3-scwrl costs 56.898 real_cost = -30.987 LOOPP_TS2-scwrl costs 71.385 real_cost = 107.857 LOOPP_TS1-scwrl costs 55.588 real_cost = 29.884 Huber-Torda-Server_TS5-scwrl costs 73.812 real_cost = 242.430 Huber-Torda-Server_TS4-scwrl costs 65.993 real_cost = 101.125 Huber-Torda-Server_TS3-scwrl costs 74.253 real_cost = 243.228 Huber-Torda-Server_TS2-scwrl costs 70.033 real_cost = 213.978 Huber-Torda-Server_TS1-scwrl costs 79.180 real_cost = 129.401 HHpred3_TS1-scwrl costs 54.719 real_cost = -67.270 HHpred2_TS1-scwrl costs 54.719 real_cost = -67.270 HHpred1_TS1-scwrl costs 54.664 real_cost = -41.295 GeneSilicoMetaServer_TS5-scwrl costs 77.176 real_cost = 122.522 GeneSilicoMetaServer_TS4-scwrl costs 54.406 real_cost = 25.057 GeneSilicoMetaServer_TS2-scwrl costs 67.987 real_cost = 107.592 GeneSilicoMetaServer_TS1-scwrl costs 72.352 real_cost = 115.992 Frankenstein_TS5-scwrl costs 78.783 real_cost = 145.560 Frankenstein_TS4-scwrl costs 78.783 real_cost = 145.560 Frankenstein_TS3-scwrl costs 69.170 real_cost = 90.864 Frankenstein_TS2-scwrl costs 56.220 real_cost = 111.868 Frankenstein_TS1-scwrl costs 62.231 real_cost = 56.219 FUNCTION_TS5-scwrl costs 83.271 real_cost = 130.491 FUNCTION_TS4-scwrl costs 73.799 real_cost = 141.630 FUNCTION_TS3-scwrl costs 73.099 real_cost = 145.331 FUNCTION_TS2-scwrl costs 73.053 real_cost = 148.887 FUNCTION_TS1-scwrl costs 75.787 real_cost = 135.873 FUGUE_AL5-scwrl costs 78.352 real_cost = 239.270 FUGUE_AL4-scwrl costs 73.167 real_cost = 244.430 FUGUE_AL3-scwrl costs 79.189 real_cost = 285.428 FUGUE_AL2-scwrl costs 72.157 real_cost = 260.535 FUGUE_AL1-scwrl costs 94.099 real_cost = 331.063 FUGMOD_TS5-scwrl costs 64.070 real_cost = 108.928 FUGMOD_TS4-scwrl costs 64.081 real_cost = 137.763 FUGMOD_TS3-scwrl costs 76.219 real_cost = 166.877 FUGMOD_TS2-scwrl costs 72.483 real_cost = 137.818 FUGMOD_TS1-scwrl costs 62.008 real_cost = 138.377 FPSOLVER-SERVER_TS5-scwrl costs 118.618 real_cost = 303.176 FPSOLVER-SERVER_TS4-scwrl costs 110.304 real_cost = 304.586 FPSOLVER-SERVER_TS3-scwrl costs 116.236 real_cost = 301.145 FPSOLVER-SERVER_TS2-scwrl costs 113.373 real_cost = 294.186 FPSOLVER-SERVER_TS1-scwrl costs 110.843 real_cost = 274.410 FORTE2_AL5-scwrl costs 80.209 real_cost = 168.629 FORTE2_AL4-scwrl costs 72.974 real_cost = 117.802 FORTE2_AL3-scwrl costs 62.570 real_cost = 122.439 FORTE2_AL2-scwrl costs 72.255 real_cost = 235.767 FORTE2_AL1-scwrl costs 69.476 real_cost = 78.923 FORTE1_AL5-scwrl costs 80.209 real_cost = 168.629 FORTE1_AL4-scwrl costs 72.974 real_cost = 117.802 FORTE1_AL3-scwrl costs 62.570 real_cost = 122.439 FORTE1_AL2-scwrl costs 72.255 real_cost = 235.767 FORTE1_AL1-scwrl costs 69.476 real_cost = 78.923 FOLDpro_TS5-scwrl costs 71.341 real_cost = 83.052 FOLDpro_TS4-scwrl costs 79.157 real_cost = 136.430 FOLDpro_TS3-scwrl costs 67.638 real_cost = 67.194 FOLDpro_TS2-scwrl costs 71.892 real_cost = 52.509 FOLDpro_TS1-scwrl costs 65.383 real_cost = 94.261 FAMS_TS5-scwrl costs 67.785 real_cost = 1.073 FAMS_TS4-scwrl costs 64.000 real_cost = -3.969 FAMS_TS3-scwrl costs 71.037 real_cost = -3.557 FAMS_TS2-scwrl costs 75.300 real_cost = 12.441 FAMS_TS1-scwrl costs 68.054 real_cost = 30.047 FAMSD_TS5-scwrl costs 74.085 real_cost = -6.321 FAMSD_TS4-scwrl costs 74.695 real_cost = 0.430 FAMSD_TS3-scwrl costs 68.477 real_cost = 104.586 FAMSD_TS2-scwrl costs 67.785 real_cost = 1.073 FAMSD_TS1-scwrl costs 75.881 real_cost = 14.056 Distill_TS5-scwrl costs 238.140 real_cost = 439.347 Distill_TS4-scwrl costs 240.151 real_cost = 435.058 Distill_TS3-scwrl costs 237.138 real_cost = 435.218 Distill_TS2-scwrl costs 238.088 real_cost = 442.423 Distill_TS1-scwrl costs 237.972 real_cost = 431.998 CaspIta-FOX_TS5-scwrl costs 73.665 real_cost = 47.816 CaspIta-FOX_TS4-scwrl costs 75.653 real_cost = 23.019 CaspIta-FOX_TS3-scwrl costs 73.144 real_cost = 96.437 CaspIta-FOX_TS2-scwrl costs 64.101 real_cost = -7.430 CaspIta-FOX_TS1-scwrl costs 62.320 real_cost = 101.274 CIRCLE_TS5-scwrl costs 71.037 real_cost = -3.557 CIRCLE_TS4-scwrl costs 71.267 real_cost = 63.002 CIRCLE_TS3-scwrl costs 75.300 real_cost = 12.441 CIRCLE_TS2-scwrl costs 72.197 real_cost = -16.374 CIRCLE_TS1-scwrl costs 64.000 real_cost = -3.969 Bilab-ENABLE_TS5-scwrl costs 73.324 real_cost = 162.190 Bilab-ENABLE_TS4-scwrl costs 95.534 real_cost = 176.046 Bilab-ENABLE_TS3-scwrl costs 58.767 real_cost = 115.231 Bilab-ENABLE_TS2-scwrl costs 62.701 real_cost = -5.734 Bilab-ENABLE_TS1-scwrl costs 61.329 real_cost = 183.810 BayesHH_TS1-scwrl costs 54.719 real_cost = -67.270 ABIpro_TS5-scwrl costs 105.148 real_cost = 257.323 ABIpro_TS4-scwrl costs 90.409 real_cost = 264.550 ABIpro_TS3-scwrl costs 103.418 real_cost = 315.866 ABIpro_TS2-scwrl costs 87.528 real_cost = 279.327 ABIpro_TS1-scwrl costs 82.525 real_cost = 276.957 3Dpro_TS5-scwrl costs 62.084 real_cost = 118.416 3Dpro_TS4-scwrl costs 71.341 real_cost = 83.052 3Dpro_TS3-scwrl costs 67.638 real_cost = 67.194 3Dpro_TS2-scwrl costs 74.090 real_cost = 83.333 3Dpro_TS1-scwrl costs 65.383 real_cost = 94.261 3D-JIGSAW_TS5-scwrl costs 77.092 real_cost = 136.465 3D-JIGSAW_TS4-scwrl costs 80.294 real_cost = 133.697 3D-JIGSAW_TS3-scwrl costs 72.769 real_cost = 141.300 3D-JIGSAW_TS2-scwrl costs 78.495 real_cost = 147.730 3D-JIGSAW_TS1-scwrl costs 74.959 real_cost = 144.455 3D-JIGSAW_RECOM_TS5-scwrl costs 73.885 real_cost = 87.892 3D-JIGSAW_RECOM_TS4-scwrl costs 73.083 real_cost = 84.981 3D-JIGSAW_RECOM_TS3-scwrl costs 68.976 real_cost = 74.933 3D-JIGSAW_RECOM_TS2-scwrl costs 70.670 real_cost = 67.709 3D-JIGSAW_RECOM_TS1-scwrl costs 74.886 real_cost = 79.221 3D-JIGSAW_POPULUS_TS5-scwrl costs 77.059 real_cost = 130.763 3D-JIGSAW_POPULUS_TS4-scwrl costs 73.223 real_cost = 130.577 3D-JIGSAW_POPULUS_TS3-scwrl costs 73.073 real_cost = 127.948 3D-JIGSAW_POPULUS_TS2-scwrl costs 75.685 real_cost = 122.720 3D-JIGSAW_POPULUS_TS1-scwrl costs 71.539 real_cost = 102.292 dimer//dimer-2fhqA-try6-opt2 costs 63.409 real_cost = -76.900 dimer//dimer-2fhqA-try5-opt2 costs 62.549 real_cost = -74.198 dimer//dimer-2fhqA-try2-opt2 costs 70.904 real_cost = 123.539 dimer//try9-opt2.unpack costs 70.924 real_cost = 124.422 dimer//try9-opt2.unpack.gromacs0.repack-nonPC costs 65.067 real_cost = 119.332 dimer//try9-opt2.unpack.gromacs0 costs 65.067 real_cost = 126.778 dimer//try9-opt2.repack-nonPC costs 70.924 real_cost = 122.358 dimer//try9-opt2 costs 70.924 real_cost = 124.422 dimer//try9-opt2.gromacs0 costs 74.163 real_cost = 124.139 dimer//try9-opt1 costs 70.924 real_cost = 124.770 dimer//try9-opt1-scwrl costs 70.924 real_cost = 123.288 dimer//try8-opt2.unpack costs 60.075 real_cost = -73.906 dimer//try8-opt2.unpack.gromacs0.repack-nonPC costs 54.179 real_cost = -78.096 dimer//try8-opt2.unpack.gromacs0 costs 54.179 real_cost = -74.388 dimer//try8-opt2.repack-nonPC costs 60.075 real_cost = -75.771 dimer//try8-opt2 costs 60.075 real_cost = -73.906 dimer//try8-opt2.gromacs0 costs 59.622 real_cost = -74.879 dimer//try8-opt1 costs 61.440 real_cost = -72.682 dimer//try8-opt1-scwrl costs 61.440 real_cost = -76.276 dimer//try7-opt2.unpack costs 66.965 real_cost = -76.012 dimer//try7-opt2.unpack.gromacs0.repack-nonPC costs 54.430 real_cost = -73.479 dimer//try7-opt2.unpack.gromacs0 costs 54.430 real_cost = -73.357 dimer//try7-opt2.repack-nonPC costs 66.965 real_cost = -78.999 dimer//try7-opt2 costs 66.965 real_cost = -76.012 dimer//try7-opt2.gromacs0 costs 69.442 real_cost = -68.965 dimer//try7-opt1 costs 66.965 real_cost = -72.973 dimer//try7-opt1-scwrl costs 65.468 real_cost = -79.731 dimer//try6-opt2.unpack costs 71.184 real_cost = 124.088 dimer//try6-opt2.repack-nonPC costs 71.184 real_cost = 116.564 dimer//try6-opt2 costs 71.184 real_cost = 124.088 dimer//try6-opt2.gromacs0 costs 68.410 real_cost = 123.635 dimer//try6-opt1 costs 69.172 real_cost = 123.540 dimer//try6-opt1-scwrl costs 69.172 real_cost = 119.951 dimer//try5-opt2.unpack costs 60.902 real_cost = -77.026 dimer//try5-opt2.repack-nonPC costs 60.902 real_cost = -79.651 dimer//try5-opt2 costs 60.902 real_cost = -77.026 dimer//try5-opt2.gromacs0 costs 56.743 real_cost = -79.363 dimer//try5-opt1 costs 56.453 real_cost = -73.936 dimer//try5-opt1-scwrl costs 56.453 real_cost = -77.177 dimer//try4-opt2.unpack costs 58.309 real_cost = -71.826 dimer//try4-opt2.repack-nonPC costs 58.309 real_cost = -76.443 dimer//try4-opt2 costs 58.309 real_cost = -71.826 dimer//try4-opt2.gromacs0 costs 58.861 real_cost = -70.324 dimer//try4-opt1 costs 57.834 real_cost = -70.641 dimer//try4-opt1-scwrl costs 57.834 real_cost = -75.699 dimer//try3-opt2.unpack costs 70.913 real_cost = 126.520 dimer//try3-opt2.repack-nonPC costs 70.913 real_cost = 124.798 dimer//try3-opt2 costs 70.913 real_cost = 126.520 dimer//try3-opt2.gromacs0 costs 74.120 real_cost = 125.956 dimer//try3-opt1 costs 70.904 real_cost = 125.127 dimer//try3-opt1-scwrl costs 70.904 real_cost = 123.772 dimer//try2-opt2.unpack costs 61.254 real_cost = -72.195 dimer//try2-opt2.repack-nonPC costs 61.254 real_cost = -75.297 dimer//try2-opt2 costs 61.254 real_cost = -72.195 dimer//try2-opt2.gromacs0 costs 57.599 real_cost = -73.947 dimer//try2-opt1 costs 63.652 real_cost = -73.740 dimer//try2-opt1-scwrl costs 63.652 real_cost = -77.946 dimer//try1-opt2.unpack costs 68.327 real_cost = -72.953 dimer//try1-opt2.repack-nonPC costs 68.327 real_cost = -80.022 dimer//try1-opt2 costs 68.327 real_cost = -72.953 dimer//try1-opt2.gromacs0 costs 58.509 real_cost = -67.879 dimer//try1-opt1 costs 67.968 real_cost = -75.284 dimer//try1-opt1-scwrl costs 67.968 real_cost = -78.488 chimera-try3-try1.pdb.gz costs 67.762 real_cost = -77.614 T0331.try9-opt2-monomer.pdb.gz costs 70.924 real_cost = 124.422 T0331.try8-opt2-monomer.pdb.gz costs 60.075 real_cost = -73.906 T0331.try7-opt2-monomer.pdb.gz costs 66.965 real_cost = -76.012 T0331.try6-opt2.repack-nonPC.pdb.gz costs 63.409 real_cost = -79.081 T0331.try6-opt2.pdb.gz costs 63.409 real_cost = -76.929 T0331.try6-opt2.gromacs0.pdb.gz costs 54.106 real_cost = -73.547 T0331.try6-opt1.pdb.gz costs 62.837 real_cost = -72.854 T0331.try6-opt1-scwrl.pdb.gz costs 62.837 real_cost = -76.870 T0331.try5-opt2.repack-nonPC.pdb.gz costs 62.537 real_cost = -77.306 T0331.try5-opt2.pdb.gz costs 62.537 real_cost = -74.142 T0331.try5-opt2.gromacs0.pdb.gz costs 53.810 real_cost = -72.313 T0331.try5-opt1.pdb.gz costs 61.856 real_cost = -74.341 T0331.try5-opt1-scwrl.pdb.gz costs 61.856 real_cost = -78.471 T0331.try4-opt2.repack-nonPC.pdb.gz costs 66.777 real_cost = -78.320 T0331.try4-opt2.pdb.gz costs 66.777 real_cost = -78.319 T0331.try4-opt2.gromacs0.pdb.gz costs 53.039 real_cost = -74.704 T0331.try4-opt1.pdb.gz costs 67.425 real_cost = -77.982 T0331.try4-opt1-scwrl.pdb.gz costs 67.425 real_cost = -80.970 T0331.try3-opt2.repack-nonPC.pdb.gz costs 67.105 real_cost = -37.052 T0331.try3-opt2.pdb.gz costs 67.105 real_cost = -40.598 T0331.try3-opt2.gromacs0.pdb.gz costs 53.600 real_cost = -38.807 T0331.try3-opt1.pdb.gz costs 63.568 real_cost = -37.071 T0331.try3-opt1-scwrl.pdb.gz costs 63.568 real_cost = -39.415 T0331.try2-opt2.repack-nonPC.pdb.gz costs 70.904 real_cost = 124.728 T0331.try2-opt2.pdb.gz costs 70.904 real_cost = 123.773 T0331.try2-opt2.gromacs0.pdb.gz costs 64.876 real_cost = 125.825 T0331.try2-opt1.pdb.gz costs 68.048 real_cost = 122.923 T0331.try2-opt1-scwrl.pdb.gz costs 68.048 real_cost = 122.297 T0331.try1-opt2.repack-nonPC.pdb.gz costs 77.905 real_cost = -19.087 T0331.try1-opt2.pdb.gz costs 77.905 real_cost = -18.919 T0331.try1-opt2.gromacs0.pdb.gz costs 60.011 real_cost = -14.435 T0331.try1-opt1.pdb.gz costs 71.795 real_cost = -14.789 T0331.try1-opt1-scwrl.pdb.gz costs 71.795 real_cost = -17.307 ../model5.ts-submitted costs 81.664 real_cost = 20.816 ../model4.ts-submitted costs 70.141 real_cost = 130.832 ../model3.ts-submitted costs 60.023 real_cost = -73.704 ../model2.ts-submitted costs 70.924 real_cost = 124.190 ../model1.ts-submitted costs 66.965 real_cost = -76.234 align5 costs 79.172 real_cost = 10.562 align4 costs 93.671 real_cost = 178.353 align3 costs 77.629 real_cost = 198.817 align2 costs 79.321 real_cost = 165.270 align1 costs 68.779 real_cost = 133.205 T0331.try1-opt2.pdb costs 77.905 real_cost = -18.919 model5-scwrl costs 81.664 real_cost = 20.816 model4-scwrl costs 70.141 real_cost = 130.832 model3-scwrl costs 60.023 real_cost = -73.704 model2-scwrl costs 70.924 real_cost = 124.190 model1-scwrl costs 66.965 real_cost = -76.234 2hhzA costs 54.186 real_cost = -874.400 # command:CPU_time= 395.684 sec, elapsed time= 409.604 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/T0331'