make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0304' /projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0304.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/T0304.} ;\ 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/T0304/ -e s/START_COL/1/ \ -e s/COSTFCN/anglevector/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2h28A/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1183009221 # 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= 7.168 sec, elapsed time= 7.223 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= 7.252 sec, elapsed time= 7.326 sec. # command:# Prefix for input files set to # command:# Making conformation for sequence T0304 numbered 1 through 122 Created new target T0304 from T0304.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2h28A expands to /projects/compbio/data/pdb/2h28.pdb.gz 2h28A: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 Read 109 residues and 865 atoms. # WARNING: incomplete conformation T0304 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= 10.217 sec, elapsed time= 10.413 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 115 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -22.664 # GDT_score(maxd=8.000,maxw=2.900)= -18.681 # GDT_score(maxd=8.000,maxw=3.200)= -17.981 # GDT_score(maxd=8.000,maxw=3.500)= -17.401 # GDT_score(maxd=10.000,maxw=3.800)= -20.543 # GDT_score(maxd=10.000,maxw=4.000)= -20.077 # GDT_score(maxd=10.000,maxw=4.200)= -19.629 # GDT_score(maxd=12.000,maxw=4.300)= -23.048 # GDT_score(maxd=12.000,maxw=4.500)= -22.491 # GDT_score(maxd=12.000,maxw=4.700)= -21.971 # GDT_score(maxd=14.000,maxw=5.200)= -23.814 # GDT_score(maxd=14.000,maxw=5.500)= -23.036 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0304.model1-real.pdb for output Error: Couldn't open file T0304.model1-real.pdb for output superimposing iter= 0 total_weight= 1276 rmsd (weighted)= 12.4854 (unweighted)= 28.2707 superimposing iter= 1 total_weight= 2042.09 rmsd (weighted)= 7.91556 (unweighted)= 28.5559 superimposing iter= 2 total_weight= 1017.23 rmsd (weighted)= 7.19366 (unweighted)= 28.7774 superimposing iter= 3 total_weight= 886.95 rmsd (weighted)= 7.01247 (unweighted)= 28.9164 superimposing iter= 4 total_weight= 861.468 rmsd (weighted)= 6.93804 (unweighted)= 28.9963 superimposing iter= 5 total_weight= 852.852 rmsd (weighted)= 6.89926 (unweighted)= 29.042 EXPDTA model1.ts-submitted MODEL 1 REMARK 44 REMARK 44 model 1 is called model1.ts-submitted ATOM 1 N MET A 1 41.271 43.582 40.651 1.00 0.00 ATOM 2 CA MET A 1 39.850 43.307 40.805 1.00 0.00 ATOM 3 CB MET A 1 39.162 43.263 39.439 1.00 0.00 ATOM 4 CG MET A 1 39.072 44.613 38.746 1.00 0.00 ATOM 5 SD MET A 1 38.114 45.816 39.689 1.00 0.00 ATOM 6 CE MET A 1 36.469 45.123 39.553 1.00 0.00 ATOM 7 O MET A 1 38.777 41.785 42.314 1.00 0.00 ATOM 8 C MET A 1 39.670 41.961 41.492 1.00 0.00 ATOM 9 N SER A 2 40.535 41.010 41.162 1.00 0.00 ATOM 10 CA SER A 2 40.453 39.693 41.772 1.00 0.00 ATOM 11 CB SER A 2 41.430 38.741 41.004 1.00 0.00 ATOM 12 OG SER A 2 41.117 37.386 41.265 1.00 0.00 ATOM 13 O SER A 2 40.078 39.073 44.059 1.00 0.00 ATOM 14 C SER A 2 40.697 39.795 43.277 1.00 0.00 ATOM 15 N ASP A 3 41.606 40.692 43.688 1.00 0.00 ATOM 16 CA ASP A 3 41.909 40.862 45.111 1.00 0.00 ATOM 17 CB ASP A 3 42.944 41.804 45.462 1.00 0.00 ATOM 18 CG ASP A 3 42.647 43.253 45.109 1.00 0.00 ATOM 19 OD1 ASP A 3 42.365 43.548 43.925 1.00 0.00 ATOM 20 OD2 ASP A 3 42.696 44.101 46.026 1.00 0.00 ATOM 21 O ASP A 3 40.255 40.936 46.851 1.00 0.00 ATOM 22 C ASP A 3 40.630 41.372 45.769 1.00 0.00 ATOM 23 N THR A 4 39.942 42.364 45.157 1.00 0.00 ATOM 24 CA THR A 4 38.705 42.942 45.673 1.00 0.00 ATOM 25 CB THR A 4 38.250 44.147 44.826 1.00 0.00 ATOM 26 CG2 THR A 4 36.940 44.707 45.359 1.00 0.00 ATOM 27 OG1 THR A 4 39.248 45.173 44.879 1.00 0.00 ATOM 28 O THR A 4 36.759 41.837 46.566 1.00 0.00 ATOM 29 C THR A 4 37.586 41.896 45.653 1.00 0.00 ATOM 30 N LEU A 5 37.517 41.109 44.584 1.00 0.00 ATOM 31 CA LEU A 5 36.503 40.074 44.488 1.00 0.00 ATOM 32 CB LEU A 5 36.680 39.268 43.198 1.00 0.00 ATOM 33 CG LEU A 5 35.684 38.130 42.968 1.00 0.00 ATOM 34 CD1 LEU A 5 34.264 38.666 42.873 1.00 0.00 ATOM 35 CD2 LEU A 5 36.000 37.391 41.678 1.00 0.00 ATOM 36 O LEU A 5 35.682 38.818 46.364 1.00 0.00 ATOM 37 C LEU A 5 36.653 39.159 45.689 1.00 0.00 ATOM 38 N PRO A 6 37.896 38.794 45.980 1.00 0.00 ATOM 39 CA PRO A 6 38.190 37.909 47.092 1.00 0.00 ATOM 40 CB PRO A 6 39.660 37.599 46.947 1.00 0.00 ATOM 41 CG PRO A 6 39.843 37.605 45.472 1.00 0.00 ATOM 42 CD PRO A 6 39.060 38.825 45.045 1.00 0.00 ATOM 43 O PRO A 6 37.444 37.825 49.380 1.00 0.00 ATOM 44 C PRO A 6 37.855 38.528 48.453 1.00 0.00 ATOM 45 N GLY A 7 38.086 39.896 48.553 1.00 0.00 ATOM 46 CA GLY A 7 37.791 40.610 49.784 1.00 0.00 ATOM 47 O GLY A 7 35.885 40.335 51.204 1.00 0.00 ATOM 48 C GLY A 7 36.288 40.571 50.067 1.00 0.00 ATOM 49 N THR A 8 35.474 40.759 49.023 1.00 0.00 ATOM 50 CA THR A 8 34.022 40.743 49.173 1.00 0.00 ATOM 51 CB THR A 8 33.371 41.305 47.874 1.00 0.00 ATOM 52 CG2 THR A 8 31.845 41.178 47.947 1.00 0.00 ATOM 53 OG1 THR A 8 33.724 42.687 47.813 1.00 0.00 ATOM 54 O THR A 8 32.587 39.217 50.333 1.00 0.00 ATOM 55 C THR A 8 33.516 39.351 49.534 1.00 0.00 ATOM 56 N THR A 9 34.163 38.323 48.948 1.00 0.00 ATOM 57 CA THR A 9 33.784 36.941 49.208 1.00 0.00 ATOM 58 CB THR A 9 34.373 35.998 48.075 1.00 0.00 ATOM 59 CG2 THR A 9 33.858 36.351 46.679 1.00 0.00 ATOM 60 OG1 THR A 9 35.805 36.050 48.259 1.00 0.00 ATOM 61 O THR A 9 33.644 35.693 51.213 1.00 0.00 ATOM 62 C THR A 9 34.361 36.445 50.530 1.00 0.00 ATOM 63 N LEU A 10 35.587 36.855 51.139 1.00 0.00 ATOM 64 CA LEU A 10 36.176 36.434 52.410 1.00 0.00 ATOM 65 CB LEU A 10 37.692 36.633 52.477 1.00 0.00 ATOM 66 CG LEU A 10 38.511 35.988 51.357 1.00 0.00 ATOM 67 CD1 LEU A 10 39.984 36.342 51.496 1.00 0.00 ATOM 68 CD2 LEU A 10 38.379 34.472 51.399 1.00 0.00 ATOM 69 O LEU A 10 36.045 36.596 54.791 1.00 0.00 ATOM 70 C LEU A 10 35.612 36.995 53.707 1.00 0.00 ATOM 71 N PRO A 11 34.648 37.902 53.616 1.00 0.00 ATOM 72 CA PRO A 11 34.053 38.471 54.822 1.00 0.00 ATOM 73 CB PRO A 11 33.097 39.520 54.282 1.00 0.00 ATOM 74 CG PRO A 11 32.612 38.886 53.007 1.00 0.00 ATOM 75 CD PRO A 11 33.916 38.353 52.408 1.00 0.00 ATOM 76 O PRO A 11 32.946 36.348 55.056 1.00 0.00 ATOM 77 C PRO A 11 33.400 37.344 55.630 1.00 0.00 ATOM 78 N ASP A 12 33.353 37.519 56.958 1.00 0.00 ATOM 79 CA ASP A 12 32.754 36.494 57.809 1.00 0.00 ATOM 80 CB ASP A 12 32.784 37.015 59.251 1.00 0.00 ATOM 81 CG ASP A 12 34.203 37.176 59.765 1.00 0.00 ATOM 82 OD1 ASP A 12 35.099 36.456 59.274 1.00 0.00 ATOM 83 OD2 ASP A 12 34.426 38.014 60.663 1.00 0.00 ATOM 84 O ASP A 12 30.836 35.132 57.404 1.00 0.00 ATOM 85 C ASP A 12 31.345 36.244 57.312 1.00 0.00 ATOM 86 N ASP A 13 30.729 37.285 56.768 1.00 0.00 ATOM 87 CA ASP A 13 29.372 37.179 56.263 1.00 0.00 ATOM 88 CB ASP A 13 29.001 38.667 55.835 1.00 0.00 ATOM 89 CG ASP A 13 28.639 39.571 57.007 1.00 0.00 ATOM 90 OD1 ASP A 13 28.425 39.031 58.105 1.00 0.00 ATOM 91 OD2 ASP A 13 28.559 40.803 56.811 1.00 0.00 ATOM 92 O ASP A 13 28.159 35.667 54.930 1.00 0.00 ATOM 93 C ASP A 13 29.228 36.184 55.113 1.00 0.00 ATOM 94 N ASN A 14 30.264 35.946 54.367 1.00 0.00 ATOM 95 CA ASN A 14 30.228 35.072 53.195 1.00 0.00 ATOM 96 CB ASN A 14 30.639 35.853 51.945 1.00 0.00 ATOM 97 CG ASN A 14 29.791 37.091 51.700 1.00 0.00 ATOM 98 ND2 ASN A 14 30.269 37.985 50.842 1.00 0.00 ATOM 99 OD1 ASN A 14 28.713 37.237 52.279 1.00 0.00 ATOM 100 O ASN A 14 31.248 33.068 52.341 1.00 0.00 ATOM 101 C ASN A 14 31.045 33.813 53.300 1.00 0.00 ATOM 102 N HIS A 15 31.484 33.489 54.547 1.00 0.00 ATOM 103 CA HIS A 15 32.268 32.249 54.786 1.00 0.00 ATOM 104 CB HIS A 15 32.807 32.911 56.430 1.00 0.00 ATOM 105 CG HIS A 15 31.878 32.258 57.411 1.00 0.00 ATOM 106 CD2 HIS A 15 32.103 31.309 58.352 1.00 0.00 ATOM 107 ND1 HIS A 15 30.542 32.582 57.509 1.00 0.00 ATOM 108 CE1 HIS A 15 29.985 31.865 58.468 1.00 0.00 ATOM 109 NE2 HIS A 15 30.911 31.081 58.994 1.00 0.00 ATOM 110 O HIS A 15 31.953 29.932 54.407 1.00 0.00 ATOM 111 C HIS A 15 31.403 31.014 54.561 1.00 0.00 ATOM 112 N ASP A 16 30.081 31.191 54.550 1.00 0.00 ATOM 113 CA ASP A 16 29.174 30.065 54.319 1.00 0.00 ATOM 114 CB ASP A 16 28.016 30.121 55.325 1.00 0.00 ATOM 115 CG ASP A 16 27.066 31.293 55.069 1.00 0.00 ATOM 116 OD1 ASP A 16 27.513 32.335 54.547 1.00 0.00 ATOM 117 OD2 ASP A 16 25.868 31.172 55.406 1.00 0.00 ATOM 118 O ASP A 16 27.686 29.324 52.603 1.00 0.00 ATOM 119 C ASP A 16 28.621 30.056 52.896 1.00 0.00 ATOM 120 N ARG A 17 29.176 30.888 52.026 1.00 0.00 ATOM 121 CA ARG A 17 28.704 30.957 50.641 1.00 0.00 ATOM 122 CB ARG A 17 28.603 32.468 50.253 1.00 0.00 ATOM 123 CG ARG A 17 27.884 33.320 51.292 1.00 0.00 ATOM 124 CD ARG A 17 27.741 34.759 50.822 1.00 0.00 ATOM 125 NE ARG A 17 26.936 34.860 49.607 1.00 0.00 ATOM 126 CZ ARG A 17 25.651 34.530 49.530 1.00 0.00 ATOM 127 NH1 ARG A 17 25.011 34.074 50.599 1.00 0.00 ATOM 128 NH2 ARG A 17 25.003 34.658 48.380 1.00 0.00 ATOM 129 O ARG A 17 30.890 30.241 49.878 1.00 0.00 ATOM 130 C ARG A 17 29.678 30.326 49.638 1.00 0.00 ATOM 131 N PRO A 18 29.140 29.890 48.505 1.00 0.00 ATOM 132 CA PRO A 18 29.977 29.276 47.495 1.00 0.00 ATOM 133 CB PRO A 18 28.961 28.702 46.508 1.00 0.00 ATOM 134 CG PRO A 18 27.740 29.574 46.662 1.00 0.00 ATOM 135 CD PRO A 18 27.751 30.040 48.087 1.00 0.00 ATOM 136 O PRO A 18 30.489 31.509 46.727 1.00 0.00 ATOM 137 C PRO A 18 30.894 30.358 46.911 1.00 0.00 ATOM 138 N TRP A 19 32.162 29.981 46.734 1.00 0.00 ATOM 139 CA TRP A 19 33.170 30.924 46.253 1.00 0.00 ATOM 140 CB TRP A 19 34.567 30.532 46.837 1.00 0.00 ATOM 141 CG TRP A 19 34.680 30.474 48.302 1.00 0.00 ATOM 142 CD1 TRP A 19 34.501 29.383 49.099 1.00 0.00 ATOM 143 CD2 TRP A 19 35.045 31.540 49.171 1.00 0.00 ATOM 144 CE2 TRP A 19 35.036 31.036 50.480 1.00 0.00 ATOM 145 CE3 TRP A 19 35.378 32.880 48.976 1.00 0.00 ATOM 146 NE1 TRP A 19 34.699 29.715 50.406 1.00 0.00 ATOM 147 CZ2 TRP A 19 35.356 31.820 51.587 1.00 0.00 ATOM 148 CZ3 TRP A 19 35.686 33.651 50.071 1.00 0.00 ATOM 149 CH2 TRP A 19 35.668 33.121 51.352 1.00 0.00 ATOM 150 O TRP A 19 32.898 30.131 44.004 1.00 0.00 ATOM 151 C TRP A 19 32.937 31.104 44.757 1.00 0.00 ATOM 152 N TRP A 20 32.759 32.355 44.305 1.00 0.00 ATOM 153 CA TRP A 20 32.518 32.634 42.888 1.00 0.00 ATOM 154 CB TRP A 20 32.359 34.138 42.657 1.00 0.00 ATOM 155 CG TRP A 20 32.106 34.501 41.225 1.00 0.00 ATOM 156 CD1 TRP A 20 30.898 34.530 40.589 1.00 0.00 ATOM 157 CD2 TRP A 20 33.083 34.889 40.253 1.00 0.00 ATOM 158 CE2 TRP A 20 32.397 35.138 39.047 1.00 0.00 ATOM 159 CE3 TRP A 20 34.472 35.050 40.282 1.00 0.00 ATOM 160 NE1 TRP A 20 31.063 34.912 39.279 1.00 0.00 ATOM 161 CZ2 TRP A 20 33.052 35.538 37.884 1.00 0.00 ATOM 162 CZ3 TRP A 20 35.117 35.448 39.126 1.00 0.00 ATOM 163 CH2 TRP A 20 34.411 35.688 37.943 1.00 0.00 ATOM 164 O TRP A 20 33.377 31.531 40.949 1.00 0.00 ATOM 165 C TRP A 20 33.636 32.146 41.986 1.00 0.00 ATOM 166 N GLY A 21 34.878 32.405 42.370 1.00 0.00 ATOM 167 CA GLY A 21 35.997 31.966 41.554 1.00 0.00 ATOM 168 O GLY A 21 35.790 29.806 42.565 1.00 0.00 ATOM 169 C GLY A 21 36.230 30.470 41.629 1.00 0.00 ATOM 170 N LEU A 22 36.926 29.951 40.628 1.00 0.00 ATOM 171 CA LEU A 22 37.273 28.543 40.595 1.00 0.00 ATOM 172 CB LEU A 22 38.042 28.223 39.322 1.00 0.00 ATOM 173 CG LEU A 22 37.306 28.324 37.977 1.00 0.00 ATOM 174 CD1 LEU A 22 35.874 27.846 38.132 1.00 0.00 ATOM 175 CD2 LEU A 22 37.343 29.733 37.420 1.00 0.00 ATOM 176 O LEU A 22 39.295 29.048 41.827 1.00 0.00 ATOM 177 C LEU A 22 38.237 28.412 41.765 1.00 0.00 ATOM 178 N PRO A 23 37.884 27.640 42.873 1.00 0.00 ATOM 179 CA PRO A 23 38.764 27.555 44.018 1.00 0.00 ATOM 180 CB PRO A 23 37.869 27.924 45.199 1.00 0.00 ATOM 181 CG PRO A 23 36.496 27.530 44.768 1.00 0.00 ATOM 182 CD PRO A 23 36.436 27.788 43.287 1.00 0.00 ATOM 183 O PRO A 23 38.618 25.168 43.998 1.00 0.00 ATOM 184 C PRO A 23 39.327 26.158 44.141 1.00 0.00 ATOM 185 N CYS A 24 40.614 26.094 44.420 1.00 0.00 ATOM 186 CA CYS A 24 41.300 24.831 44.551 1.00 0.00 ATOM 187 CB CYS A 24 42.346 24.671 43.453 1.00 0.00 ATOM 188 SG CYS A 24 43.366 23.182 43.535 1.00 0.00 ATOM 189 O CYS A 24 42.686 25.834 46.213 1.00 0.00 ATOM 190 C CYS A 24 42.093 24.829 45.843 1.00 0.00 ATOM 191 N THR A 25 42.081 23.706 46.551 1.00 0.00 ATOM 192 CA THR A 25 42.876 23.594 47.762 1.00 0.00 ATOM 193 CB THR A 25 41.975 23.359 48.966 1.00 0.00 ATOM 194 CG2 THR A 25 42.812 23.292 50.244 1.00 0.00 ATOM 195 OG1 THR A 25 41.071 24.470 49.053 1.00 0.00 ATOM 196 O THR A 25 43.388 21.312 47.181 1.00 0.00 ATOM 197 C THR A 25 43.820 22.413 47.562 1.00 0.00 ATOM 198 N VAL A 26 45.097 22.625 47.836 1.00 0.00 ATOM 199 CA VAL A 26 46.051 21.547 47.669 1.00 0.00 ATOM 200 CB VAL A 26 46.913 21.823 46.422 1.00 0.00 ATOM 201 CG1 VAL A 26 46.046 21.864 45.174 1.00 0.00 ATOM 202 CG2 VAL A 26 47.631 23.158 46.553 1.00 0.00 ATOM 203 O VAL A 26 47.310 22.294 49.569 1.00 0.00 ATOM 204 C VAL A 26 47.041 21.373 48.807 1.00 0.00 ATOM 205 N THR A 27 47.598 20.170 48.895 1.00 0.00 ATOM 206 CA THR A 27 48.618 19.892 49.886 1.00 0.00 ATOM 207 CB THR A 27 48.943 18.387 49.947 1.00 0.00 ATOM 208 CG2 THR A 27 47.688 17.579 50.233 1.00 0.00 ATOM 209 OG1 THR A 27 49.492 17.963 48.692 1.00 0.00 ATOM 210 O THR A 27 49.790 21.245 48.288 1.00 0.00 ATOM 211 C THR A 27 49.803 20.724 49.408 1.00 0.00 ATOM 212 N PRO A 28 50.828 20.850 50.239 1.00 0.00 ATOM 213 CA PRO A 28 51.991 21.643 49.867 1.00 0.00 ATOM 214 CB PRO A 28 52.858 21.645 51.125 1.00 0.00 ATOM 215 CG PRO A 28 52.438 20.423 51.871 1.00 0.00 ATOM 216 CD PRO A 28 50.965 20.269 51.620 1.00 0.00 ATOM 217 O PRO A 28 53.582 21.806 48.085 1.00 0.00 ATOM 218 C PRO A 28 52.779 21.087 48.681 1.00 0.00 ATOM 219 N CYS A 29 52.559 19.819 48.333 1.00 0.00 ATOM 220 CA CYS A 29 53.258 19.239 47.191 1.00 0.00 ATOM 221 CB CYS A 29 53.503 17.746 47.419 1.00 0.00 ATOM 222 SG CYS A 29 54.602 17.372 48.805 1.00 0.00 ATOM 223 O CYS A 29 52.719 18.787 44.890 1.00 0.00 ATOM 224 C CYS A 29 52.437 19.403 45.915 1.00 0.00 ATOM 225 N PHE A 30 51.403 20.330 45.995 1.00 0.00 ATOM 226 CA PHE A 30 50.545 20.623 44.864 1.00 0.00 ATOM 227 CB PHE A 30 51.444 21.354 43.745 1.00 0.00 ATOM 228 CG PHE A 30 51.804 22.787 44.019 1.00 0.00 ATOM 229 CD1 PHE A 30 51.260 23.480 45.101 1.00 0.00 ATOM 230 CD2 PHE A 30 52.697 23.449 43.181 1.00 0.00 ATOM 231 CE1 PHE A 30 51.607 24.804 45.339 1.00 0.00 ATOM 232 CE2 PHE A 30 53.053 24.762 43.414 1.00 0.00 ATOM 233 CZ PHE A 30 52.505 25.448 44.495 1.00 0.00 ATOM 234 O PHE A 30 48.686 19.759 43.639 1.00 0.00 ATOM 235 C PHE A 30 49.447 19.610 44.597 1.00 0.00 ATOM 236 N GLY A 31 49.358 18.568 45.425 1.00 0.00 ATOM 237 CA GLY A 31 48.317 17.574 45.222 1.00 0.00 ATOM 238 O GLY A 31 46.781 18.592 46.758 1.00 0.00 ATOM 239 C GLY A 31 46.980 18.168 45.616 1.00 0.00 ATOM 240 N ALA A 32 46.070 18.197 44.655 1.00 0.00 ATOM 241 CA ALA A 32 44.742 18.760 44.853 1.00 0.00 ATOM 242 CB ALA A 32 43.994 18.830 43.532 1.00 0.00 ATOM 243 O ALA A 32 43.708 16.714 45.610 1.00 0.00 ATOM 244 C ALA A 32 43.894 17.924 45.814 1.00 0.00 ATOM 245 N ARG A 33 43.376 18.567 46.854 1.00 0.00 ATOM 246 CA ARG A 33 42.546 17.865 47.826 1.00 0.00 ATOM 247 CB ARG A 33 43.237 18.032 49.236 1.00 0.00 ATOM 248 CG ARG A 33 42.677 17.163 50.374 1.00 0.00 ATOM 249 CD ARG A 33 43.244 17.608 51.728 1.00 0.00 ATOM 250 NE ARG A 33 42.577 18.818 52.244 1.00 0.00 ATOM 251 CZ ARG A 33 41.334 18.876 52.715 1.00 0.00 ATOM 252 NH1 ARG A 33 40.553 17.776 52.801 1.00 0.00 ATOM 253 NH2 ARG A 33 40.855 20.057 53.125 1.00 0.00 ATOM 254 O ARG A 33 40.171 17.466 47.925 1.00 0.00 ATOM 255 C ARG A 33 41.077 18.270 47.702 1.00 0.00 ATOM 256 N LEU A 34 40.856 19.557 47.337 1.00 0.00 ATOM 257 CA LEU A 34 39.497 20.069 47.217 1.00 0.00 ATOM 258 CB LEU A 34 39.214 21.063 48.345 1.00 0.00 ATOM 259 CG LEU A 34 39.085 20.473 49.755 1.00 0.00 ATOM 260 CD1 LEU A 34 38.625 21.530 50.713 1.00 0.00 ATOM 261 CD2 LEU A 34 38.089 19.375 49.770 1.00 0.00 ATOM 262 O LEU A 34 40.129 21.766 45.644 1.00 0.00 ATOM 263 C LEU A 34 39.348 20.861 45.924 1.00 0.00 ATOM 264 N VAL A 35 38.324 20.497 45.258 1.00 0.00 ATOM 265 CA VAL A 35 37.987 21.178 44.005 1.00 0.00 ATOM 266 CB VAL A 35 38.192 20.252 42.791 1.00 0.00 ATOM 267 CG1 VAL A 35 37.909 20.998 41.497 1.00 0.00 ATOM 268 CG2 VAL A 35 39.623 19.738 42.749 1.00 0.00 ATOM 269 O VAL A 35 35.640 20.797 44.125 1.00 0.00 ATOM 270 C VAL A 35 36.532 21.630 44.125 1.00 0.00 ATOM 271 N GLN A 36 36.266 22.929 44.223 1.00 0.00 ATOM 272 CA GLN A 36 34.877 23.342 44.386 1.00 0.00 ATOM 273 CB GLN A 36 34.800 24.783 44.896 1.00 0.00 ATOM 274 CG GLN A 36 35.426 24.991 46.265 1.00 0.00 ATOM 275 CD GLN A 36 34.727 24.199 47.352 1.00 0.00 ATOM 276 OE1 GLN A 36 33.505 24.261 47.490 1.00 0.00 ATOM 277 NE2 GLN A 36 35.501 23.449 48.129 1.00 0.00 ATOM 278 O GLN A 36 34.554 22.938 42.044 1.00 0.00 ATOM 279 C GLN A 36 34.056 23.304 43.108 1.00 0.00 ATOM 280 N GLU A 37 32.782 23.649 43.222 1.00 0.00 ATOM 281 CA GLU A 37 31.868 23.622 42.083 1.00 0.00 ATOM 282 CB GLU A 37 30.483 24.128 42.497 1.00 0.00 ATOM 283 CG GLU A 37 29.722 23.177 43.407 1.00 0.00 ATOM 284 CD GLU A 37 28.411 23.763 43.893 1.00 0.00 ATOM 285 OE1 GLU A 37 28.133 24.939 43.580 1.00 0.00 ATOM 286 OE2 GLU A 37 27.661 23.046 44.588 1.00 0.00 ATOM 287 O GLU A 37 32.334 24.095 39.795 1.00 0.00 ATOM 288 C GLU A 37 32.348 24.495 40.954 1.00 0.00 ATOM 289 N GLY A 38 32.843 25.712 41.261 1.00 0.00 ATOM 290 CA GLY A 38 33.316 26.607 40.236 1.00 0.00 ATOM 291 O GLY A 38 34.547 26.166 38.249 1.00 0.00 ATOM 292 C GLY A 38 34.482 26.031 39.469 1.00 0.00 ATOM 293 N ASN A 39 35.384 25.454 40.214 1.00 0.00 ATOM 294 CA ASN A 39 36.558 24.837 39.611 1.00 0.00 ATOM 295 CB ASN A 39 37.515 24.308 40.670 1.00 0.00 ATOM 296 CG ASN A 39 38.894 24.057 40.108 1.00 0.00 ATOM 297 ND2 ASN A 39 39.314 22.800 40.093 1.00 0.00 ATOM 298 OD1 ASN A 39 39.563 24.987 39.669 1.00 0.00 ATOM 299 O ASN A 39 36.805 23.550 37.584 1.00 0.00 ATOM 300 C ASN A 39 36.204 23.695 38.650 1.00 0.00 ATOM 301 N ARG A 40 35.236 22.876 39.051 1.00 0.00 ATOM 302 CA ARG A 40 34.773 21.770 38.227 1.00 0.00 ATOM 303 CB ARG A 40 33.696 20.953 38.911 1.00 0.00 ATOM 304 CG ARG A 40 33.020 19.938 37.980 1.00 0.00 ATOM 305 CD ARG A 40 32.163 18.893 38.751 1.00 0.00 ATOM 306 NE ARG A 40 31.202 19.491 39.682 1.00 0.00 ATOM 307 CZ ARG A 40 30.062 20.078 39.329 1.00 0.00 ATOM 308 NH1 ARG A 40 29.710 20.164 38.050 1.00 0.00 ATOM 309 NH2 ARG A 40 29.264 20.573 40.265 1.00 0.00 ATOM 310 O ARG A 40 34.615 21.795 35.829 1.00 0.00 ATOM 311 C ARG A 40 34.264 22.312 36.894 1.00 0.00 ATOM 312 N LEU A 41 33.477 23.380 36.955 1.00 0.00 ATOM 313 CA LEU A 41 32.929 23.990 35.749 1.00 0.00 ATOM 314 CB LEU A 41 31.859 25.025 36.112 1.00 0.00 ATOM 315 CG LEU A 41 30.560 24.477 36.705 1.00 0.00 ATOM 316 CD1 LEU A 41 29.666 25.610 37.182 1.00 0.00 ATOM 317 CD2 LEU A 41 29.792 23.672 35.667 1.00 0.00 ATOM 318 O LEU A 41 34.045 24.554 33.702 1.00 0.00 ATOM 319 C LEU A 41 34.004 24.688 34.924 1.00 0.00 ATOM 320 N HIS A 42 34.889 25.413 35.598 1.00 0.00 ATOM 321 CA HIS A 42 35.952 26.131 34.921 1.00 0.00 ATOM 322 CB HIS A 42 36.961 26.657 35.790 1.00 0.00 ATOM 323 CG HIS A 42 37.977 27.499 35.082 1.00 0.00 ATOM 324 CD2 HIS A 42 39.326 27.403 35.026 1.00 0.00 ATOM 325 ND1 HIS A 42 37.638 28.616 34.348 1.00 0.00 ATOM 326 CE1 HIS A 42 38.739 29.172 33.872 1.00 0.00 ATOM 327 NE2 HIS A 42 39.777 28.455 34.267 1.00 0.00 ATOM 328 O HIS A 42 37.256 25.435 33.036 1.00 0.00 ATOM 329 C HIS A 42 36.932 25.212 34.199 1.00 0.00 ATOM 330 N TYR A 43 37.398 24.175 34.887 1.00 0.00 ATOM 331 CA TYR A 43 38.388 23.269 34.319 1.00 0.00 ATOM 332 CB TYR A 43 39.398 23.048 35.633 1.00 0.00 ATOM 333 CG TYR A 43 40.543 22.096 35.375 1.00 0.00 ATOM 334 CD1 TYR A 43 41.749 22.553 34.856 1.00 0.00 ATOM 335 CD2 TYR A 43 40.401 20.723 35.612 1.00 0.00 ATOM 336 CE1 TYR A 43 42.795 21.667 34.581 1.00 0.00 ATOM 337 CE2 TYR A 43 41.437 19.827 35.341 1.00 0.00 ATOM 338 CZ TYR A 43 42.627 20.306 34.827 1.00 0.00 ATOM 339 OH TYR A 43 43.654 19.432 34.562 1.00 0.00 ATOM 340 O TYR A 43 38.690 21.400 32.849 1.00 0.00 ATOM 341 C TYR A 43 37.914 22.026 33.573 1.00 0.00 ATOM 342 N LEU A 44 36.593 21.610 33.696 1.00 0.00 ATOM 343 CA LEU A 44 36.050 20.438 33.031 1.00 0.00 ATOM 344 CB LEU A 44 36.631 20.308 31.622 1.00 0.00 ATOM 345 CG LEU A 44 36.399 21.495 30.683 1.00 0.00 ATOM 346 CD1 LEU A 44 37.117 21.278 29.359 1.00 0.00 ATOM 347 CD2 LEU A 44 34.917 21.673 30.398 1.00 0.00 ATOM 348 O LEU A 44 35.967 18.038 33.174 1.00 0.00 ATOM 349 C LEU A 44 36.265 19.098 33.733 1.00 0.00 ATOM 350 N ALA A 45 36.744 19.118 34.941 1.00 0.00 ATOM 351 CA ALA A 45 36.983 17.915 35.723 1.00 0.00 ATOM 352 CB ALA A 45 38.407 17.909 36.255 1.00 0.00 ATOM 353 O ALA A 45 36.037 18.726 37.778 1.00 0.00 ATOM 354 C ALA A 45 36.131 17.805 36.977 1.00 0.00 ATOM 355 N ASP A 46 35.497 16.631 37.113 1.00 0.00 ATOM 356 CA ASP A 46 34.733 16.420 38.340 1.00 0.00 ATOM 357 CB ASP A 46 34.034 15.060 38.260 1.00 0.00 ATOM 358 CG ASP A 46 32.960 15.021 37.192 1.00 0.00 ATOM 359 OD1 ASP A 46 32.616 16.096 36.655 1.00 0.00 ATOM 360 OD2 ASP A 46 32.464 13.916 36.890 1.00 0.00 ATOM 361 O ASP A 46 36.895 16.219 39.342 1.00 0.00 ATOM 362 C ASP A 46 35.717 16.514 39.511 1.00 0.00 ATOM 363 N ARG A 47 35.269 16.927 40.688 1.00 0.00 ATOM 364 CA ARG A 47 36.191 17.024 41.813 1.00 0.00 ATOM 365 CB ARG A 47 35.444 17.577 43.048 1.00 0.00 ATOM 366 CG ARG A 47 36.304 17.668 44.310 1.00 0.00 ATOM 367 CD ARG A 47 35.537 18.297 45.464 1.00 0.00 ATOM 368 NE ARG A 47 34.378 17.502 45.861 1.00 0.00 ATOM 369 CZ ARG A 47 34.438 16.418 46.630 1.00 0.00 ATOM 370 NH1 ARG A 47 35.602 15.992 47.097 1.00 0.00 ATOM 371 NH2 ARG A 47 33.324 15.756 46.917 1.00 0.00 ATOM 372 O ARG A 47 38.093 15.668 42.424 1.00 0.00 ATOM 373 C ARG A 47 36.899 15.708 42.111 1.00 0.00 ATOM 374 N ALA A 48 36.183 14.552 42.015 1.00 0.00 ATOM 375 CA ALA A 48 36.757 13.240 42.275 1.00 0.00 ATOM 376 CB ALA A 48 35.699 12.151 42.210 1.00 0.00 ATOM 377 O ALA A 48 38.808 12.260 41.531 1.00 0.00 ATOM 378 C ALA A 48 37.832 12.938 41.243 1.00 0.00 ATOM 379 N GLY A 49 37.697 13.536 40.067 1.00 0.00 ATOM 380 CA GLY A 49 38.644 13.330 38.979 1.00 0.00 ATOM 381 O GLY A 49 41.040 13.448 38.827 1.00 0.00 ATOM 382 C GLY A 49 40.000 14.023 39.149 1.00 0.00 ATOM 383 N ILE A 50 40.007 15.315 39.679 1.00 0.00 ATOM 384 CA ILE A 50 41.268 16.023 39.885 1.00 0.00 ATOM 385 CB ILE A 50 41.082 17.549 39.784 1.00 0.00 ATOM 386 CG1 ILE A 50 40.673 17.943 38.364 1.00 0.00 ATOM 387 CG2 ILE A 50 42.377 18.268 40.130 1.00 0.00 ATOM 388 CD1 ILE A 50 40.245 19.388 38.232 1.00 0.00 ATOM 389 O ILE A 50 43.142 15.901 41.369 1.00 0.00 ATOM 390 C ILE A 50 41.926 15.762 41.236 1.00 0.00 ATOM 391 N ARG A 51 41.126 15.453 42.254 1.00 0.00 ATOM 392 CA ARG A 51 41.692 15.196 43.571 1.00 0.00 ATOM 393 CB ARG A 51 40.609 14.715 44.538 1.00 0.00 ATOM 394 CG ARG A 51 41.084 14.550 45.972 1.00 0.00 ATOM 395 CD ARG A 51 39.957 14.086 46.879 1.00 0.00 ATOM 396 NE ARG A 51 40.394 13.938 48.264 1.00 0.00 ATOM 397 CZ ARG A 51 39.611 13.523 49.255 1.00 0.00 ATOM 398 NH1 ARG A 51 40.096 13.420 50.485 1.00 0.00 ATOM 399 NH2 ARG A 51 38.345 13.212 49.013 1.00 0.00 ATOM 400 O ARG A 51 42.638 13.172 42.692 1.00 0.00 ATOM 401 C ARG A 51 42.809 14.166 43.396 1.00 0.00 ATOM 402 N GLY A 52 43.927 14.375 44.007 1.00 0.00 ATOM 403 CA GLY A 52 45.038 13.445 43.909 1.00 0.00 ATOM 404 O GLY A 52 47.164 13.460 42.835 1.00 0.00 ATOM 405 C GLY A 52 46.003 13.860 42.824 1.00 0.00 ATOM 406 N LEU A 53 45.523 14.656 41.877 1.00 0.00 ATOM 407 CA LEU A 53 46.355 15.129 40.779 1.00 0.00 ATOM 408 CB LEU A 53 45.503 15.465 39.554 1.00 0.00 ATOM 409 CG LEU A 53 44.705 14.309 38.946 1.00 0.00 ATOM 410 CD1 LEU A 53 43.856 14.796 37.784 1.00 0.00 ATOM 411 CD2 LEU A 53 45.638 13.224 38.432 1.00 0.00 ATOM 412 O LEU A 53 46.632 17.051 42.167 1.00 0.00 ATOM 413 C LEU A 53 47.072 16.386 41.236 1.00 0.00 ATOM 414 N PHE A 54 48.121 16.761 40.517 1.00 0.00 ATOM 415 CA PHE A 54 48.881 17.948 40.871 1.00 0.00 ATOM 416 CB PHE A 54 50.351 17.778 40.482 1.00 0.00 ATOM 417 CG PHE A 54 51.069 16.700 41.222 1.00 0.00 ATOM 418 CD1 PHE A 54 51.659 16.937 42.490 1.00 0.00 ATOM 419 CD2 PHE A 54 51.176 15.454 40.645 1.00 0.00 ATOM 420 CE1 PHE A 54 52.252 15.906 43.173 1.00 0.00 ATOM 421 CE2 PHE A 54 51.775 14.443 41.302 1.00 0.00 ATOM 422 CZ PHE A 54 52.300 14.638 42.579 1.00 0.00 ATOM 423 O PHE A 54 47.715 19.191 39.179 1.00 0.00 ATOM 424 C PHE A 54 48.310 19.216 40.250 1.00 0.00 ATOM 425 N SER A 55 48.508 20.333 40.987 1.00 0.00 ATOM 426 CA SER A 55 48.018 21.592 40.485 1.00 0.00 ATOM 427 CB SER A 55 48.346 22.521 41.945 1.00 0.00 ATOM 428 OG SER A 55 49.504 23.230 41.552 1.00 0.00 ATOM 429 O SER A 55 48.288 22.843 38.456 1.00 0.00 ATOM 430 C SER A 55 48.715 21.929 39.166 1.00 0.00 ATOM 431 N ASP A 56 49.737 21.161 38.795 1.00 0.00 ATOM 432 CA ASP A 56 50.430 21.391 37.518 1.00 0.00 ATOM 433 CB ASP A 56 51.659 20.475 37.389 1.00 0.00 ATOM 434 CG ASP A 56 52.773 20.836 38.347 1.00 0.00 ATOM 435 OD1 ASP A 56 52.710 21.920 38.965 1.00 0.00 ATOM 436 OD2 ASP A 56 53.720 20.028 38.472 1.00 0.00 ATOM 437 O ASP A 56 49.770 21.765 35.261 1.00 0.00 ATOM 438 C ASP A 56 49.549 21.172 36.313 1.00 0.00 ATOM 439 N ALA A 57 48.539 20.297 36.419 1.00 0.00 ATOM 440 CA ALA A 57 47.622 20.024 35.324 1.00 0.00 ATOM 441 CB ALA A 57 46.630 18.921 35.653 1.00 0.00 ATOM 442 O ALA A 57 46.274 21.294 33.830 1.00 0.00 ATOM 443 C ALA A 57 46.830 21.255 34.917 1.00 0.00 ATOM 444 N ASP A 58 46.751 22.241 35.812 1.00 0.00 ATOM 445 CA ASP A 58 45.996 23.465 35.551 1.00 0.00 ATOM 446 CB ASP A 58 45.630 23.843 37.247 1.00 0.00 ATOM 447 CG ASP A 58 44.272 24.228 37.777 1.00 0.00 ATOM 448 OD1 ASP A 58 43.766 25.326 37.480 1.00 0.00 ATOM 449 OD2 ASP A 58 43.685 23.417 38.532 1.00 0.00 ATOM 450 O ASP A 58 46.208 25.562 34.414 1.00 0.00 ATOM 451 C ASP A 58 46.764 24.506 34.736 1.00 0.00 ATOM 452 N ALA A 59 47.999 24.196 34.357 1.00 0.00 ATOM 453 CA ALA A 59 48.808 25.149 33.612 1.00 0.00 ATOM 454 CB ALA A 59 49.861 25.767 34.519 1.00 0.00 ATOM 455 O ALA A 59 49.795 23.333 32.396 1.00 0.00 ATOM 456 C ALA A 59 49.529 24.527 32.427 1.00 0.00 ATOM 457 N TYR A 60 49.868 25.346 31.432 1.00 0.00 ATOM 458 CA TYR A 60 50.568 24.877 30.235 1.00 0.00 ATOM 459 CB TYR A 60 50.152 25.710 29.020 1.00 0.00 ATOM 460 CG TYR A 60 50.392 25.012 27.702 1.00 0.00 ATOM 461 CD1 TYR A 60 49.742 23.828 27.436 1.00 0.00 ATOM 462 CD2 TYR A 60 51.244 25.493 26.713 1.00 0.00 ATOM 463 CE1 TYR A 60 49.901 23.123 26.246 1.00 0.00 ATOM 464 CE2 TYR A 60 51.427 24.815 25.500 1.00 0.00 ATOM 465 CZ TYR A 60 50.753 23.628 25.264 1.00 0.00 ATOM 466 OH TYR A 60 50.955 22.966 24.092 1.00 0.00 ATOM 467 O TYR A 60 52.527 25.337 31.556 1.00 0.00 ATOM 468 C TYR A 60 52.076 24.959 30.478 1.00 0.00 ATOM 469 N HIS A 61 52.808 24.683 29.377 1.00 0.00 ATOM 470 CA HIS A 61 54.249 24.758 29.398 1.00 0.00 ATOM 471 CB HIS A 61 54.791 24.603 27.941 1.00 0.00 ATOM 472 CG HIS A 61 56.237 24.952 27.815 1.00 0.00 ATOM 473 CD2 HIS A 61 57.336 24.312 28.268 1.00 0.00 ATOM 474 ND1 HIS A 61 56.692 26.088 27.166 1.00 0.00 ATOM 475 CE1 HIS A 61 58.012 26.129 27.277 1.00 0.00 ATOM 476 NE2 HIS A 61 58.425 25.044 27.911 1.00 0.00 ATOM 477 O HIS A 61 55.939 26.122 30.388 1.00 0.00 ATOM 478 C HIS A 61 54.820 26.085 29.837 1.00 0.00 ATOM 479 N LEU A 62 54.127 27.186 29.608 1.00 0.00 ATOM 480 CA LEU A 62 54.623 28.483 30.056 1.00 0.00 ATOM 481 CB LEU A 62 53.649 29.587 29.636 1.00 0.00 ATOM 482 CG LEU A 62 53.480 29.738 28.117 1.00 0.00 ATOM 483 CD1 LEU A 62 52.554 30.912 27.824 1.00 0.00 ATOM 484 CD2 LEU A 62 54.829 29.888 27.435 1.00 0.00 ATOM 485 O LEU A 62 55.770 29.236 32.019 1.00 0.00 ATOM 486 C LEU A 62 54.838 28.565 31.554 1.00 0.00 ATOM 487 N ASP A 63 53.935 27.611 32.397 1.00 0.00 ATOM 488 CA ASP A 63 53.973 27.487 33.846 1.00 0.00 ATOM 489 CB ASP A 63 52.441 27.881 34.046 1.00 0.00 ATOM 490 CG ASP A 63 52.024 29.076 33.279 1.00 0.00 ATOM 491 OD1 ASP A 63 52.201 29.140 32.070 1.00 0.00 ATOM 492 OD2 ASP A 63 51.472 30.033 34.031 1.00 0.00 ATOM 493 O ASP A 63 54.593 25.876 35.505 1.00 0.00 ATOM 494 C ASP A 63 54.074 26.075 34.400 1.00 0.00 ATOM 495 N GLN A 64 53.532 25.111 33.659 1.00 0.00 ATOM 496 CA GLN A 64 53.492 23.736 34.127 1.00 0.00 ATOM 497 CB GLN A 64 53.033 22.801 33.006 1.00 0.00 ATOM 498 CG GLN A 64 52.966 21.338 33.405 1.00 0.00 ATOM 499 CD GLN A 64 52.476 20.447 32.280 1.00 0.00 ATOM 500 OE1 GLN A 64 52.190 20.923 31.179 1.00 0.00 ATOM 501 NE2 GLN A 64 52.379 19.151 32.551 1.00 0.00 ATOM 502 O GLN A 64 54.842 22.520 35.694 1.00 0.00 ATOM 503 C GLN A 64 54.782 23.069 34.592 1.00 0.00 ATOM 504 N ALA A 65 55.797 23.082 33.800 1.00 0.00 ATOM 505 CA ALA A 65 57.072 22.479 34.173 1.00 0.00 ATOM 506 CB ALA A 65 58.003 22.373 32.974 1.00 0.00 ATOM 507 O ALA A 65 58.645 22.711 35.945 1.00 0.00 ATOM 508 C ALA A 65 57.798 23.253 35.256 1.00 0.00 ATOM 509 N PHE A 66 57.402 24.491 35.489 1.00 0.00 ATOM 510 CA PHE A 66 58.078 25.276 36.505 1.00 0.00 ATOM 511 CB PHE A 66 58.255 26.717 36.020 1.00 0.00 ATOM 512 CG PHE A 66 59.130 26.846 34.805 1.00 0.00 ATOM 513 CD1 PHE A 66 60.032 25.850 34.476 1.00 0.00 ATOM 514 CD2 PHE A 66 59.048 27.961 33.993 1.00 0.00 ATOM 515 CE1 PHE A 66 60.837 25.968 33.359 1.00 0.00 ATOM 516 CE2 PHE A 66 59.853 28.081 32.875 1.00 0.00 ATOM 517 CZ PHE A 66 60.744 27.090 32.556 1.00 0.00 ATOM 518 O PHE A 66 57.884 25.887 38.790 1.00 0.00 ATOM 519 C PHE A 66 57.342 25.373 37.824 1.00 0.00 ATOM 520 N PRO A 67 56.115 24.874 37.872 1.00 0.00 ATOM 521 CA PRO A 67 55.303 24.981 39.082 1.00 0.00 ATOM 522 CB PRO A 67 53.965 24.438 38.769 1.00 0.00 ATOM 523 CG PRO A 67 54.192 23.489 37.670 1.00 0.00 ATOM 524 CD PRO A 67 55.453 23.897 36.933 1.00 0.00 ATOM 525 O PRO A 67 55.724 24.834 41.426 1.00 0.00 ATOM 526 C PRO A 67 55.854 24.294 40.322 1.00 0.00 ATOM 527 N LEU A 68 56.397 23.088 40.166 1.00 0.00 ATOM 528 CA LEU A 68 56.969 22.383 41.303 1.00 0.00 ATOM 529 CB LEU A 68 57.618 21.074 40.851 1.00 0.00 ATOM 530 CG LEU A 68 56.666 19.976 40.373 1.00 0.00 ATOM 531 CD1 LEU A 68 57.446 18.808 39.786 1.00 0.00 ATOM 532 CD2 LEU A 68 55.824 19.454 41.528 1.00 0.00 ATOM 533 O LEU A 68 58.111 23.423 43.163 1.00 0.00 ATOM 534 C LEU A 68 58.037 23.279 41.934 1.00 0.00 ATOM 535 N LEU A 69 58.821 23.913 41.094 1.00 0.00 ATOM 536 CA LEU A 69 59.859 24.825 41.536 1.00 0.00 ATOM 537 CB LEU A 69 60.702 25.334 40.366 1.00 0.00 ATOM 538 CG LEU A 69 61.600 24.303 39.677 1.00 0.00 ATOM 539 CD1 LEU A 69 62.248 24.898 38.437 1.00 0.00 ATOM 540 CD2 LEU A 69 62.704 23.839 40.617 1.00 0.00 ATOM 541 O LEU A 69 59.892 26.418 43.296 1.00 0.00 ATOM 542 C LEU A 69 59.307 26.024 42.269 1.00 0.00 ATOM 543 N MET A 70 58.239 26.604 41.802 1.00 0.00 ATOM 544 CA MET A 70 57.636 27.781 42.489 1.00 0.00 ATOM 545 CB MET A 70 56.400 28.224 41.703 1.00 0.00 ATOM 546 CG MET A 70 56.710 28.806 40.335 1.00 0.00 ATOM 547 SD MET A 70 55.225 29.192 39.387 1.00 0.00 ATOM 548 CE MET A 70 54.563 30.558 40.337 1.00 0.00 ATOM 549 O MET A 70 57.499 28.120 44.886 1.00 0.00 ATOM 550 C MET A 70 57.199 27.449 43.899 1.00 0.00 ATOM 551 N LYS A 71 56.543 26.299 44.067 1.00 0.00 ATOM 552 CA LYS A 71 56.106 25.852 45.374 1.00 0.00 ATOM 553 CB LYS A 71 55.449 24.534 45.414 1.00 0.00 ATOM 554 CG LYS A 71 54.959 24.098 46.780 1.00 0.00 ATOM 555 CD LYS A 71 53.786 24.958 47.275 1.00 0.00 ATOM 556 CE LYS A 71 53.253 24.454 48.623 1.00 0.00 ATOM 557 NZ LYS A 71 54.288 24.555 49.705 1.00 0.00 ATOM 558 O LYS A 71 57.258 25.946 47.499 1.00 0.00 ATOM 559 C LYS A 71 57.261 25.553 46.321 1.00 0.00 ATOM 560 N GLN A 72 58.295 24.839 45.839 1.00 0.00 ATOM 561 CA GLN A 72 59.442 24.507 46.658 1.00 0.00 ATOM 562 CB GLN A 72 60.447 23.696 45.837 1.00 0.00 ATOM 563 CG GLN A 72 59.997 22.277 45.534 1.00 0.00 ATOM 564 CD GLN A 72 60.963 21.541 44.625 1.00 0.00 ATOM 565 OE1 GLN A 72 61.936 22.120 44.140 1.00 0.00 ATOM 566 NE2 GLN A 72 60.697 20.262 44.392 1.00 0.00 ATOM 567 O GLN A 72 60.555 25.850 48.334 1.00 0.00 ATOM 568 C GLN A 72 60.146 25.770 47.150 1.00 0.00 ATOM 569 N LEU A 73 60.230 26.753 46.261 1.00 0.00 ATOM 570 CA LEU A 73 60.833 28.045 46.612 1.00 0.00 ATOM 571 CB LEU A 73 60.874 28.966 45.391 1.00 0.00 ATOM 572 CG LEU A 73 61.804 28.545 44.255 1.00 0.00 ATOM 573 CD1 LEU A 73 61.612 29.440 43.041 1.00 0.00 ATOM 574 CD2 LEU A 73 63.259 28.637 44.688 1.00 0.00 ATOM 575 O LEU A 73 60.643 29.268 48.703 1.00 0.00 ATOM 576 C LEU A 73 60.069 28.747 47.738 1.00 0.00 ATOM 577 N GLU A 74 58.737 28.787 47.617 1.00 0.00 ATOM 578 CA GLU A 74 57.928 29.418 48.648 1.00 0.00 ATOM 579 CB GLU A 74 56.455 29.450 48.231 1.00 0.00 ATOM 580 CG GLU A 74 56.157 30.398 47.080 1.00 0.00 ATOM 581 CD GLU A 74 54.716 30.311 46.615 1.00 0.00 ATOM 582 OE1 GLU A 74 53.972 29.459 47.143 1.00 0.00 ATOM 583 OE2 GLU A 74 54.333 31.096 45.722 1.00 0.00 ATOM 584 O GLU A 74 58.077 29.289 51.062 1.00 0.00 ATOM 585 C GLU A 74 58.019 28.673 49.991 1.00 0.00 ATOM 586 N LEU A 75 58.077 27.347 49.926 1.00 0.00 ATOM 587 CA LEU A 75 58.177 26.528 51.130 1.00 0.00 ATOM 588 CB LEU A 75 58.049 25.058 50.786 1.00 0.00 ATOM 589 CG LEU A 75 58.167 24.067 51.945 1.00 0.00 ATOM 590 CD1 LEU A 75 56.942 24.184 52.811 1.00 0.00 ATOM 591 CD2 LEU A 75 58.314 22.637 51.434 1.00 0.00 ATOM 592 O LEU A 75 59.581 27.006 53.016 1.00 0.00 ATOM 593 C LEU A 75 59.508 26.845 51.799 1.00 0.00 ATOM 594 N MET A 76 60.549 26.963 51.012 1.00 0.00 ATOM 595 CA MET A 76 61.879 27.254 51.530 1.00 0.00 ATOM 596 CB MET A 76 62.932 27.027 50.443 1.00 0.00 ATOM 597 CG MET A 76 63.073 25.578 50.010 1.00 0.00 ATOM 598 SD MET A 76 63.554 24.490 51.365 1.00 0.00 ATOM 599 CE MET A 76 65.232 25.046 51.666 1.00 0.00 ATOM 600 O MET A 76 62.835 28.883 52.998 1.00 0.00 ATOM 601 C MET A 76 62.098 28.665 52.037 1.00 0.00 ATOM 602 N LEU A 77 61.472 29.625 51.374 1.00 0.00 ATOM 603 CA LEU A 77 61.681 31.026 51.709 1.00 0.00 ATOM 604 CB LEU A 77 61.898 31.862 50.446 1.00 0.00 ATOM 605 CG LEU A 77 63.118 31.501 49.596 1.00 0.00 ATOM 606 CD1 LEU A 77 63.156 32.338 48.326 1.00 0.00 ATOM 607 CD2 LEU A 77 64.405 31.748 50.368 1.00 0.00 ATOM 608 O LEU A 77 60.854 32.628 53.283 1.00 0.00 ATOM 609 C LEU A 77 60.570 31.760 52.456 1.00 0.00 ATOM 610 N THR A 78 59.314 31.396 52.188 1.00 0.00 ATOM 611 CA THR A 78 58.193 32.078 52.813 1.00 0.00 ATOM 612 CB THR A 78 58.483 32.407 54.289 1.00 0.00 ATOM 613 CG2 THR A 78 58.989 31.174 55.021 1.00 0.00 ATOM 614 OG1 THR A 78 59.480 33.433 54.365 1.00 0.00 ATOM 615 O THR A 78 57.059 34.159 52.425 1.00 0.00 ATOM 616 C THR A 78 57.891 33.347 52.021 1.00 0.00 ATOM 617 N SER A 79 58.645 33.464 50.856 1.00 0.00 ATOM 618 CA SER A 79 58.479 34.631 50.000 1.00 0.00 ATOM 619 CB SER A 79 59.757 34.676 49.160 1.00 0.00 ATOM 620 OG SER A 79 59.714 35.739 48.225 1.00 0.00 ATOM 621 O SER A 79 57.222 33.773 48.135 1.00 0.00 ATOM 622 C SER A 79 57.276 34.580 49.063 1.00 0.00 ATOM 623 N GLY A 80 56.323 35.467 49.301 1.00 0.00 ATOM 624 CA GLY A 80 55.132 35.535 48.476 1.00 0.00 ATOM 625 O GLY A 80 55.940 37.288 47.043 1.00 0.00 ATOM 626 C GLY A 80 55.502 36.136 47.123 1.00 0.00 ATOM 627 N GLU A 81 55.346 35.345 46.065 1.00 0.00 ATOM 628 CA GLU A 81 55.647 35.802 44.713 1.00 0.00 ATOM 629 CB GLU A 81 56.447 34.739 43.961 1.00 0.00 ATOM 630 CG GLU A 81 57.790 34.410 44.590 1.00 0.00 ATOM 631 CD GLU A 81 58.553 33.351 43.819 1.00 0.00 ATOM 632 OE1 GLU A 81 58.026 32.867 42.796 1.00 0.00 ATOM 633 OE2 GLU A 81 59.677 33.003 44.240 1.00 0.00 ATOM 634 O GLU A 81 54.092 36.974 43.259 1.00 0.00 ATOM 635 C GLU A 81 54.259 36.089 44.116 1.00 0.00 ATOM 636 N LEU A 82 53.207 35.233 44.476 1.00 0.00 ATOM 637 CA LEU A 82 51.870 35.329 43.913 1.00 0.00 ATOM 638 CB LEU A 82 51.647 34.125 42.962 1.00 0.00 ATOM 639 CG LEU A 82 50.282 33.999 42.275 1.00 0.00 ATOM 640 CD1 LEU A 82 50.024 35.218 41.386 1.00 0.00 ATOM 641 CD2 LEU A 82 50.259 32.717 41.445 1.00 0.00 ATOM 642 O LEU A 82 49.724 35.997 44.784 1.00 0.00 ATOM 643 C LEU A 82 50.816 35.486 45.033 1.00 0.00 ATOM 644 N ASN A 83 51.150 35.087 46.265 1.00 0.00 ATOM 645 CA ASN A 83 50.219 35.218 47.405 1.00 0.00 ATOM 646 CB ASN A 83 50.683 34.277 48.526 1.00 0.00 ATOM 647 CG ASN A 83 50.768 32.842 48.078 1.00 0.00 ATOM 648 ND2 ASN A 83 51.966 32.273 48.093 1.00 0.00 ATOM 649 OD1 ASN A 83 49.762 32.272 47.690 1.00 0.00 ATOM 650 O ASN A 83 51.158 37.380 47.962 1.00 0.00 ATOM 651 C ASN A 83 50.145 36.672 47.897 1.00 0.00 ATOM 652 N PRO A 84 48.859 37.257 48.343 1.00 0.00 ATOM 653 CA PRO A 84 48.672 38.627 48.782 1.00 0.00 ATOM 654 CB PRO A 84 49.475 38.854 49.971 1.00 0.00 ATOM 655 CG PRO A 84 50.423 37.691 50.032 1.00 0.00 ATOM 656 CD PRO A 84 49.608 36.548 49.508 1.00 0.00 ATOM 657 O PRO A 84 48.037 40.498 47.425 1.00 0.00 ATOM 658 C PRO A 84 48.686 39.454 47.499 1.00 0.00 ATOM 659 N ARG A 85 49.425 39.000 46.494 1.00 0.00 ATOM 660 CA ARG A 85 49.508 39.725 45.232 1.00 0.00 ATOM 661 CB ARG A 85 51.019 39.805 45.003 1.00 0.00 ATOM 662 CG ARG A 85 51.763 40.619 46.049 1.00 0.00 ATOM 663 CD ARG A 85 53.266 40.555 45.834 1.00 0.00 ATOM 664 NE ARG A 85 53.652 41.074 44.523 1.00 0.00 ATOM 665 CZ ARG A 85 54.745 40.703 43.865 1.00 0.00 ATOM 666 NH1 ARG A 85 55.015 41.226 42.678 1.00 0.00 ATOM 667 NH2 ARG A 85 55.565 39.806 44.395 1.00 0.00 ATOM 668 O ARG A 85 49.573 38.278 43.328 1.00 0.00 ATOM 669 C ARG A 85 48.879 39.003 44.045 1.00 0.00 ATOM 670 N HIS A 86 47.564 39.113 43.882 1.00 0.00 ATOM 671 CA HIS A 86 46.891 38.459 42.755 1.00 0.00 ATOM 672 CB HIS A 86 45.409 38.842 42.723 1.00 0.00 ATOM 673 CG HIS A 86 45.165 40.290 42.436 1.00 0.00 ATOM 674 CD2 HIS A 86 44.790 41.068 41.262 1.00 0.00 ATOM 675 ND1 HIS A 86 45.276 41.271 43.399 1.00 0.00 ATOM 676 CE1 HIS A 86 44.999 42.464 42.844 1.00 0.00 ATOM 677 NE2 HIS A 86 44.707 42.348 41.563 1.00 0.00 ATOM 678 O HIS A 86 48.017 40.104 41.406 1.00 0.00 ATOM 679 C HIS A 86 47.535 38.961 41.461 1.00 0.00 ATOM 680 N GLN A 87 47.564 38.100 40.446 1.00 0.00 ATOM 681 CA GLN A 87 48.215 38.436 39.181 1.00 0.00 ATOM 682 CB GLN A 87 49.659 37.927 39.178 1.00 0.00 ATOM 683 CG GLN A 87 50.593 38.618 40.156 1.00 0.00 ATOM 684 CD GLN A 87 52.049 38.438 39.768 1.00 0.00 ATOM 685 OE1 GLN A 87 52.479 38.896 38.707 1.00 0.00 ATOM 686 NE2 GLN A 87 52.816 37.766 40.620 1.00 0.00 ATOM 687 O GLN A 87 46.312 37.384 38.221 1.00 0.00 ATOM 688 C GLN A 87 47.350 37.986 37.999 1.00 0.00 ATOM 689 N HIS A 88 48.040 38.064 36.748 1.00 0.00 ATOM 690 CA HIS A 88 47.411 37.494 35.553 1.00 0.00 ATOM 691 CB HIS A 88 47.078 38.618 34.563 1.00 0.00 ATOM 692 CG HIS A 88 46.137 38.206 33.481 1.00 0.00 ATOM 693 CD2 HIS A 88 44.829 38.488 33.288 1.00 0.00 ATOM 694 ND1 HIS A 88 46.517 37.377 32.444 1.00 0.00 ATOM 695 CE1 HIS A 88 45.473 37.173 31.662 1.00 0.00 ATOM 696 NE2 HIS A 88 44.447 37.861 32.134 1.00 0.00 ATOM 697 O HIS A 88 49.515 36.645 34.757 1.00 0.00 ATOM 698 C HIS A 88 48.334 36.412 34.993 1.00 0.00 ATOM 699 N THR A 89 47.780 35.222 34.805 1.00 0.00 ATOM 700 CA THR A 89 48.514 34.106 34.227 1.00 0.00 ATOM 701 CB THR A 89 49.028 33.136 35.306 1.00 0.00 ATOM 702 CG2 THR A 89 47.866 32.424 35.981 1.00 0.00 ATOM 703 OG1 THR A 89 49.887 32.157 34.705 1.00 0.00 ATOM 704 O THR A 89 46.523 34.075 32.892 1.00 0.00 ATOM 705 C THR A 89 47.488 33.435 33.314 1.00 0.00 ATOM 706 N VAL A 90 47.669 32.155 33.026 1.00 0.00 ATOM 707 CA VAL A 90 46.709 31.432 32.196 1.00 0.00 ATOM 708 CB VAL A 90 47.134 31.396 30.723 1.00 0.00 ATOM 709 CG1 VAL A 90 47.244 32.834 30.134 1.00 0.00 ATOM 710 CG2 VAL A 90 48.420 30.623 30.511 1.00 0.00 ATOM 711 O VAL A 90 47.370 29.425 33.334 1.00 0.00 ATOM 712 C VAL A 90 46.468 30.033 32.756 1.00 0.00 ATOM 713 N THR A 91 45.264 29.531 32.573 1.00 0.00 ATOM 714 CA THR A 91 44.913 28.211 33.080 1.00 0.00 ATOM 715 CB THR A 91 43.655 28.211 33.967 1.00 0.00 ATOM 716 CG2 THR A 91 43.829 29.165 35.138 1.00 0.00 ATOM 717 OG1 THR A 91 42.523 28.628 33.195 1.00 0.00 ATOM 718 O THR A 91 44.448 27.853 30.754 1.00 0.00 ATOM 719 C THR A 91 44.666 27.342 31.858 1.00 0.00 ATOM 720 N LEU A 92 44.645 26.028 32.047 1.00 0.00 ATOM 721 CA LEU A 92 44.410 25.117 30.939 1.00 0.00 ATOM 722 CB LEU A 92 45.649 24.220 30.754 1.00 0.00 ATOM 723 CG LEU A 92 45.486 23.154 29.675 1.00 0.00 ATOM 724 CD1 LEU A 92 45.491 23.789 28.287 1.00 0.00 ATOM 725 CD2 LEU A 92 46.573 22.097 29.803 1.00 0.00 ATOM 726 O LEU A 92 43.409 23.523 32.393 1.00 0.00 ATOM 727 C LEU A 92 43.332 24.134 31.335 1.00 0.00 ATOM 728 N TYR A 93 42.530 23.987 30.460 1.00 0.00 ATOM 729 CA TYR A 93 41.341 23.171 30.693 1.00 0.00 ATOM 730 CB TYR A 93 40.231 23.509 29.720 1.00 0.00 ATOM 731 CG TYR A 93 39.427 24.720 30.097 1.00 0.00 ATOM 732 CD1 TYR A 93 38.226 24.997 29.440 1.00 0.00 ATOM 733 CD2 TYR A 93 39.857 25.602 31.094 1.00 0.00 ATOM 734 CE1 TYR A 93 37.474 26.110 29.758 1.00 0.00 ATOM 735 CE2 TYR A 93 39.107 26.729 31.424 1.00 0.00 ATOM 736 CZ TYR A 93 37.910 26.970 30.743 1.00 0.00 ATOM 737 OH TYR A 93 37.134 28.057 31.054 1.00 0.00 ATOM 738 O TYR A 93 42.579 21.439 29.606 1.00 0.00 ATOM 739 C TYR A 93 41.582 21.743 30.256 1.00 0.00 ATOM 740 N ALA A 94 40.671 20.861 30.646 1.00 0.00 ATOM 741 CA ALA A 94 40.778 19.461 30.264 1.00 0.00 ATOM 742 CB ALA A 94 39.585 18.675 30.787 1.00 0.00 ATOM 743 O ALA A 94 41.511 18.482 28.205 1.00 0.00 ATOM 744 C ALA A 94 40.826 19.344 28.737 1.00 0.00 ATOM 745 N LYS A 95 40.089 20.201 28.033 1.00 0.00 ATOM 746 CA LYS A 95 40.073 20.130 26.569 1.00 0.00 ATOM 747 CB LYS A 95 38.921 20.965 26.007 1.00 0.00 ATOM 748 CG LYS A 95 37.540 20.455 26.389 1.00 0.00 ATOM 749 CD LYS A 95 36.446 21.308 25.772 1.00 0.00 ATOM 750 CE LYS A 95 35.066 20.800 26.155 1.00 0.00 ATOM 751 NZ LYS A 95 33.982 21.634 25.566 1.00 0.00 ATOM 752 O LYS A 95 41.552 20.437 24.702 1.00 0.00 ATOM 753 C LYS A 95 41.419 20.467 25.927 1.00 0.00 ATOM 754 N GLY A 96 42.416 20.772 26.753 1.00 0.00 ATOM 755 CA GLY A 96 43.725 21.112 26.231 1.00 0.00 ATOM 756 O GLY A 96 44.731 23.155 25.495 1.00 0.00 ATOM 757 C GLY A 96 43.697 22.579 25.844 1.00 0.00 ATOM 758 N LEU A 97 42.544 23.188 25.911 1.00 0.00 ATOM 759 CA LEU A 97 42.398 24.602 25.578 1.00 0.00 ATOM 760 CB LEU A 97 40.944 24.987 25.297 1.00 0.00 ATOM 761 CG LEU A 97 40.303 24.355 24.059 1.00 0.00 ATOM 762 CD1 LEU A 97 38.829 24.720 23.972 1.00 0.00 ATOM 763 CD2 LEU A 97 40.989 24.840 22.792 1.00 0.00 ATOM 764 O LEU A 97 43.013 24.908 27.886 1.00 0.00 ATOM 765 C LEU A 97 42.931 25.429 26.769 1.00 0.00 ATOM 766 N THR A 98 43.285 26.629 26.508 1.00 0.00 ATOM 767 CA THR A 98 43.802 27.523 27.559 1.00 0.00 ATOM 768 CB THR A 98 45.241 27.987 27.269 1.00 0.00 ATOM 769 CG2 THR A 98 46.166 26.789 27.112 1.00 0.00 ATOM 770 OG1 THR A 98 45.266 28.754 26.060 1.00 0.00 ATOM 771 O THR A 98 42.192 29.113 26.759 1.00 0.00 ATOM 772 C THR A 98 42.930 28.766 27.679 1.00 0.00 ATOM 773 N CYS A 99 43.040 29.448 28.814 1.00 0.00 ATOM 774 CA CYS A 99 42.276 30.656 29.032 1.00 0.00 ATOM 775 CB CYS A 99 40.947 30.327 29.717 1.00 0.00 ATOM 776 SG CYS A 99 39.881 31.757 30.002 1.00 0.00 ATOM 777 O CYS A 99 43.477 31.184 31.021 1.00 0.00 ATOM 778 C CYS A 99 43.014 31.591 29.955 1.00 0.00 ATOM 779 N LYS A 100 43.020 32.891 29.627 1.00 0.00 ATOM 780 CA LYS A 100 43.709 33.849 30.484 1.00 0.00 ATOM 781 CB LYS A 100 43.736 35.227 29.819 1.00 0.00 ATOM 782 CG LYS A 100 44.542 35.275 28.530 1.00 0.00 ATOM 783 CD LYS A 100 44.541 36.674 27.934 1.00 0.00 ATOM 784 CE LYS A 100 45.362 36.727 26.655 1.00 0.00 ATOM 785 NZ LYS A 100 45.360 38.087 26.049 1.00 0.00 ATOM 786 O LYS A 100 41.727 33.807 31.821 1.00 0.00 ATOM 787 C LYS A 100 42.955 33.901 31.800 1.00 0.00 ATOM 788 N ALA A 101 43.671 34.099 32.895 1.00 0.00 ATOM 789 CA ALA A 101 43.005 34.104 34.190 1.00 0.00 ATOM 790 CB ALA A 101 42.889 32.683 34.720 1.00 0.00 ATOM 791 O ALA A 101 44.967 35.135 35.102 1.00 0.00 ATOM 792 C ALA A 101 43.753 34.921 35.212 1.00 0.00 ATOM 793 N ASP A 102 43.021 35.409 36.201 1.00 0.00 ATOM 794 CA ASP A 102 43.665 36.117 37.290 1.00 0.00 ATOM 795 CB ASP A 102 42.820 37.247 37.832 1.00 0.00 ATOM 796 CG ASP A 102 42.949 38.485 36.997 1.00 0.00 ATOM 797 OD1 ASP A 102 43.916 39.239 37.025 1.00 0.00 ATOM 798 OD2 ASP A 102 41.878 38.733 36.281 1.00 0.00 ATOM 799 O ASP A 102 42.834 34.246 38.563 1.00 0.00 ATOM 800 C ASP A 102 43.755 35.051 38.384 1.00 0.00 ATOM 801 N THR A 103 44.882 35.023 39.076 1.00 0.00 ATOM 802 CA THR A 103 45.098 34.065 40.146 1.00 0.00 ATOM 803 CB THR A 103 46.243 33.095 39.796 1.00 0.00 ATOM 804 CG2 THR A 103 46.446 32.088 40.918 1.00 0.00 ATOM 805 OG1 THR A 103 45.923 32.390 38.591 1.00 0.00 ATOM 806 O THR A 103 46.338 35.633 41.450 1.00 0.00 ATOM 807 C THR A 103 45.479 34.752 41.439 1.00 0.00 ATOM 808 N LEU A 104 44.823 34.348 42.524 1.00 0.00 ATOM 809 CA LEU A 104 45.121 34.851 43.855 1.00 0.00 ATOM 810 CB LEU A 104 43.925 35.634 44.400 1.00 0.00 ATOM 811 CG LEU A 104 44.064 36.182 45.821 1.00 0.00 ATOM 812 CD1 LEU A 104 45.137 37.258 45.882 1.00 0.00 ATOM 813 CD2 LEU A 104 42.752 36.788 46.295 1.00 0.00 ATOM 814 O LEU A 104 44.698 32.585 44.486 1.00 0.00 ATOM 815 C LEU A 104 45.387 33.587 44.662 1.00 0.00 ATOM 816 N SER A 105 46.480 33.552 45.402 1.00 0.00 ATOM 817 CA SER A 105 46.756 32.372 46.199 1.00 0.00 ATOM 818 CB SER A 105 48.063 31.719 45.744 1.00 0.00 ATOM 819 OG SER A 105 47.951 31.226 44.419 1.00 0.00 ATOM 820 O SER A 105 47.276 33.865 48.016 1.00 0.00 ATOM 821 C SER A 105 46.871 32.757 47.672 1.00 0.00 ATOM 822 N SER A 106 46.428 31.853 48.534 1.00 0.00 ATOM 823 CA SER A 106 46.477 32.091 49.957 1.00 0.00 ATOM 824 CB SER A 106 45.092 32.448 50.501 1.00 0.00 ATOM 825 OG SER A 106 44.199 31.357 50.375 1.00 0.00 ATOM 826 O SER A 106 47.049 29.773 49.951 1.00 0.00 ATOM 827 C SER A 106 46.948 30.815 50.609 1.00 0.00 ATOM 828 N CYS A 107 47.123 30.856 51.918 1.00 0.00 ATOM 829 CA CYS A 107 47.582 29.683 52.641 1.00 0.00 ATOM 830 CB CYS A 107 48.981 29.936 53.232 1.00 0.00 ATOM 831 SG CYS A 107 50.289 30.314 52.015 1.00 0.00 ATOM 832 O CYS A 107 46.291 30.141 54.597 1.00 0.00 ATOM 833 C CYS A 107 46.776 29.285 53.858 1.00 0.00 ATOM 834 N ASP A 108 46.693 27.869 54.123 1.00 0.00 ATOM 835 CA ASP A 108 46.000 27.385 55.298 1.00 0.00 ATOM 836 CB ASP A 108 45.943 26.115 55.486 1.00 0.00 ATOM 837 CG ASP A 108 45.369 25.713 56.832 1.00 0.00 ATOM 838 OD1 ASP A 108 44.511 26.482 57.339 1.00 0.00 ATOM 839 OD2 ASP A 108 45.776 24.648 57.348 1.00 0.00 ATOM 840 O ASP A 108 47.257 28.838 56.684 1.00 0.00 ATOM 841 C ASP A 108 46.205 28.202 56.543 1.00 0.00 ATOM 842 N TYR A 109 48.176 27.310 56.068 1.00 0.00 ATOM 843 CA TYR A 109 49.545 27.633 55.649 1.00 0.00 ATOM 844 CB TYR A 109 50.445 27.898 56.781 1.00 0.00 ATOM 845 CG TYR A 109 51.838 28.235 56.289 1.00 0.00 ATOM 846 CD1 TYR A 109 52.127 29.502 55.814 1.00 0.00 ATOM 847 CD2 TYR A 109 52.854 27.276 56.275 1.00 0.00 ATOM 848 CE1 TYR A 109 53.384 29.828 55.345 1.00 0.00 ATOM 849 CE2 TYR A 109 54.129 27.596 55.843 1.00 0.00 ATOM 850 CZ TYR A 109 54.388 28.872 55.328 1.00 0.00 ATOM 851 OH TYR A 109 55.659 29.222 54.853 1.00 0.00 ATOM 852 O TYR A 109 50.735 26.688 53.760 1.00 0.00 ATOM 853 C TYR A 109 50.196 26.485 54.863 1.00 0.00 ATOM 854 N VAL A 110 50.126 25.281 55.417 1.00 0.00 ATOM 855 CA VAL A 110 50.656 24.102 54.737 1.00 0.00 ATOM 856 CB VAL A 110 50.555 22.823 55.626 1.00 0.00 ATOM 857 CG1 VAL A 110 50.726 21.516 54.804 1.00 0.00 ATOM 858 CG2 VAL A 110 51.565 22.897 56.788 1.00 0.00 ATOM 859 O VAL A 110 50.535 23.896 52.352 1.00 0.00 ATOM 860 C VAL A 110 49.927 23.960 53.421 1.00 0.00 ATOM 861 N TYR A 111 48.617 23.911 53.500 1.00 0.00 ATOM 862 CA TYR A 111 47.809 23.745 52.314 1.00 0.00 ATOM 863 CB TYR A 111 46.360 23.348 52.586 1.00 0.00 ATOM 864 CG TYR A 111 46.175 22.045 53.321 1.00 0.00 ATOM 865 CD1 TYR A 111 45.949 20.855 52.630 1.00 0.00 ATOM 866 CD2 TYR A 111 46.193 22.007 54.717 1.00 0.00 ATOM 867 CE1 TYR A 111 45.738 19.654 53.314 1.00 0.00 ATOM 868 CE2 TYR A 111 45.985 20.813 55.407 1.00 0.00 ATOM 869 CZ TYR A 111 45.757 19.646 54.702 1.00 0.00 ATOM 870 OH TYR A 111 45.535 18.475 55.396 1.00 0.00 ATOM 871 O TYR A 111 47.779 26.142 52.226 1.00 0.00 ATOM 872 C TYR A 111 47.762 25.087 51.595 1.00 0.00 ATOM 873 N LEU A 112 47.755 25.041 50.273 1.00 0.00 ATOM 874 CA LEU A 112 47.695 26.251 49.470 1.00 0.00 ATOM 875 CB LEU A 112 48.628 26.135 48.268 1.00 0.00 ATOM 876 CG LEU A 112 48.547 27.268 47.247 1.00 0.00 ATOM 877 CD1 LEU A 112 49.165 28.546 47.832 1.00 0.00 ATOM 878 CD2 LEU A 112 49.203 26.847 45.950 1.00 0.00 ATOM 879 O LEU A 112 45.689 25.298 48.577 1.00 0.00 ATOM 880 C LEU A 112 46.287 26.324 48.906 1.00 0.00 ATOM 881 N ALA A 113 45.731 27.529 48.848 1.00 0.00 ATOM 882 CA ALA A 113 44.407 27.724 48.268 1.00 0.00 ATOM 883 CB ALA A 113 43.472 28.358 49.288 1.00 0.00 ATOM 884 O ALA A 113 45.262 29.666 47.161 1.00 0.00 ATOM 885 C ALA A 113 44.547 28.668 47.081 1.00 0.00 ATOM 886 N VAL A 114 43.927 28.327 45.962 1.00 0.00 ATOM 887 CA VAL A 114 44.022 29.211 44.816 1.00 0.00 ATOM 888 CB VAL A 114 44.709 28.454 43.665 1.00 0.00 ATOM 889 CG1 VAL A 114 44.816 29.340 42.433 1.00 0.00 ATOM 890 CG2 VAL A 114 46.108 28.020 44.071 1.00 0.00 ATOM 891 O VAL A 114 41.730 28.830 44.327 1.00 0.00 ATOM 892 C VAL A 114 42.654 29.646 44.364 1.00 0.00 ATOM 893 N TYR A 115 42.510 30.932 44.061 1.00 0.00 ATOM 894 CA TYR A 115 41.242 31.493 43.606 1.00 0.00 ATOM 895 CB TYR A 115 40.854 32.503 44.649 1.00 0.00 ATOM 896 CG TYR A 115 39.460 32.968 44.512 1.00 0.00 ATOM 897 CD1 TYR A 115 38.411 32.271 45.118 1.00 0.00 ATOM 898 CD2 TYR A 115 39.171 34.105 43.774 1.00 0.00 ATOM 899 CE1 TYR A 115 37.126 32.727 45.036 1.00 0.00 ATOM 900 CE2 TYR A 115 37.894 34.554 43.647 1.00 0.00 ATOM 901 CZ TYR A 115 36.865 33.853 44.274 1.00 0.00 ATOM 902 OH TYR A 115 35.587 34.298 44.168 1.00 0.00 ATOM 903 O TYR A 115 42.355 32.699 41.878 1.00 0.00 ATOM 904 C TYR A 115 41.432 31.939 42.175 1.00 0.00 ATOM 905 N PRO A 116 40.668 31.388 41.144 1.00 0.00 ATOM 906 CA PRO A 116 40.838 31.655 39.730 1.00 0.00 ATOM 907 CB PRO A 116 40.963 30.264 39.105 1.00 0.00 ATOM 908 CG PRO A 116 41.643 29.474 40.236 1.00 0.00 ATOM 909 CD PRO A 116 40.887 29.969 41.466 1.00 0.00 ATOM 910 O PRO A 116 38.503 32.035 39.306 1.00 0.00 ATOM 911 C PRO A 116 39.663 32.411 39.122 1.00 0.00 ATOM 912 N THR A 117 39.970 33.483 38.394 1.00 0.00 ATOM 913 CA THR A 117 38.938 34.268 37.728 1.00 0.00 ATOM 914 CB THR A 117 38.613 35.569 38.531 1.00 0.00 ATOM 915 CG2 THR A 117 38.468 35.372 40.002 1.00 0.00 ATOM 916 OG1 THR A 117 39.679 36.497 38.288 1.00 0.00 ATOM 917 O THR A 117 40.241 34.865 35.791 1.00 0.00 ATOM 918 C THR A 117 39.245 34.303 36.240 1.00 0.00 ATOM 919 N PRO A 118 38.387 33.612 35.416 1.00 0.00 ATOM 920 CA PRO A 118 38.598 33.622 33.966 1.00 0.00 ATOM 921 CB PRO A 118 37.470 32.726 33.418 1.00 0.00 ATOM 922 CG PRO A 118 36.868 32.058 34.610 1.00 0.00 ATOM 923 CD PRO A 118 37.169 32.870 35.808 1.00 0.00 ATOM 924 O PRO A 118 37.950 35.933 34.027 1.00 0.00 ATOM 925 C PRO A 118 38.634 35.072 33.473 1.00 0.00 ATOM 926 N GLU A 119 39.400 35.325 32.476 1.00 0.00 ATOM 927 CA GLU A 119 39.528 36.682 31.950 1.00 0.00 ATOM 928 CB GLU A 119 40.236 36.485 30.417 1.00 0.00 ATOM 929 CG GLU A 119 41.093 37.605 29.846 1.00 0.00 ATOM 930 CD GLU A 119 41.500 37.497 28.405 1.00 0.00 ATOM 931 OE1 GLU A 119 41.236 36.476 27.722 1.00 0.00 ATOM 932 OE2 GLU A 119 42.139 38.446 27.873 1.00 0.00 ATOM 933 O GLU A 119 37.898 38.422 31.692 1.00 0.00 ATOM 934 C GLU A 119 38.217 37.265 31.421 1.00 0.00 ATOM 935 N MET A 120 37.441 36.487 30.695 1.00 0.00 ATOM 936 CA MET A 120 36.185 36.991 30.157 1.00 0.00 ATOM 937 CB MET A 120 35.368 35.585 29.644 1.00 0.00 ATOM 938 CG MET A 120 36.226 34.385 29.294 1.00 0.00 ATOM 939 SD MET A 120 35.388 32.845 28.822 1.00 0.00 ATOM 940 CE MET A 120 34.784 33.243 27.170 1.00 0.00 ATOM 941 O MET A 120 34.442 38.334 31.129 1.00 0.00 ATOM 942 C MET A 120 35.145 37.314 31.229 1.00 0.00 ATOM 943 N LYS A 121 35.026 36.501 32.240 1.00 0.00 ATOM 944 CA LYS A 121 34.079 36.709 33.322 1.00 0.00 ATOM 945 CB LYS A 121 33.518 35.388 33.855 1.00 0.00 ATOM 946 CG LYS A 121 32.807 34.548 32.809 1.00 0.00 ATOM 947 CD LYS A 121 31.630 35.296 32.204 1.00 0.00 ATOM 948 CE LYS A 121 30.945 34.468 31.129 1.00 0.00 ATOM 949 NZ LYS A 121 29.913 35.254 30.398 1.00 0.00 ATOM 950 O LYS A 121 33.973 37.610 35.541 1.00 0.00 ATOM 951 C LYS A 121 34.635 37.486 34.511 1.00 0.00 ATOM 952 N ASN A 122 35.813 38.056 34.351 1.00 0.00 ATOM 953 CA ASN A 122 36.436 38.844 35.409 1.00 0.00 ATOM 954 CB ASN A 122 35.546 39.958 35.871 1.00 0.00 ATOM 955 CG ASN A 122 35.451 41.021 34.795 1.00 0.00 ATOM 956 ND2 ASN A 122 34.230 41.453 34.499 1.00 0.00 ATOM 957 OD1 ASN A 122 36.462 41.457 34.247 1.00 0.00 ATOM 958 O ASN A 122 36.573 38.202 37.728 1.00 0.00 ATOM 959 C ASN A 122 36.742 37.878 36.552 1.00 0.00 ENDMDL EXPDTA 2h28A MODEL 2 REMARK 44 REMARK 44 model 2 is called 2h28A ATOM 1 N ASP 16 28.482 13.741 44.666 1.00 0.00 ATOM 2 CA ASP 16 29.676 13.845 43.781 1.00 0.00 ATOM 3 CB ASP 16 29.315 14.595 42.499 1.00 0.00 ATOM 4 CG ASP 16 30.187 14.200 41.329 1.00 0.00 ATOM 5 OD1 ASP 16 31.428 14.202 41.476 1.00 0.00 ATOM 6 OD2 ASP 16 29.633 13.890 40.255 1.00 0.00 ATOM 7 O ASP 16 30.702 14.793 45.732 1.00 0.00 ATOM 8 C ASP 16 30.791 14.580 44.523 1.00 0.00 ATOM 9 N ARG 17 31.831 14.978 43.796 1.00 0.00 ATOM 10 CA ARG 17 32.970 15.659 44.403 1.00 0.00 ATOM 11 CB ARG 17 34.250 15.298 43.646 1.00 0.00 ATOM 12 CG ARG 17 35.530 15.771 44.322 1.00 0.00 ATOM 13 CD ARG 17 36.754 15.343 43.534 1.00 0.00 ATOM 14 NE ARG 17 37.807 14.827 44.402 1.00 0.00 ATOM 15 CZ ARG 17 38.948 14.311 43.961 1.00 0.00 ATOM 16 NH1 ARG 17 39.185 14.246 42.657 1.00 0.00 ATOM 17 NH2 ARG 17 39.851 13.856 44.820 1.00 0.00 ATOM 18 O ARG 17 32.397 17.830 43.544 1.00 0.00 ATOM 19 C ARG 17 32.845 17.181 44.481 1.00 0.00 ATOM 20 N PRO 18 33.249 17.767 45.617 1.00 0.00 ATOM 21 CA PRO 18 33.197 19.214 45.839 1.00 0.00 ATOM 22 CB PRO 18 33.317 19.350 47.359 1.00 0.00 ATOM 23 CG PRO 18 33.153 17.946 47.892 1.00 0.00 ATOM 24 CD PRO 18 33.700 17.072 46.830 1.00 0.00 ATOM 25 O PRO 18 35.334 19.192 44.759 1.00 0.00 ATOM 26 C PRO 18 34.383 19.871 45.151 1.00 0.00 ATOM 27 N TRP 19 34.340 21.194 45.032 1.00 0.00 ATOM 28 CA TRP 19 35.425 21.930 44.410 1.00 0.00 ATOM 29 CB TRP 19 34.850 23.049 43.533 1.00 0.00 ATOM 30 CG TRP 19 35.878 23.853 42.798 1.00 0.00 ATOM 31 CD1 TRP 19 36.242 25.150 43.054 1.00 0.00 ATOM 32 CD2 TRP 19 36.656 23.434 41.664 1.00 0.00 ATOM 33 CE2 TRP 19 37.461 24.530 41.285 1.00 0.00 ATOM 34 CE3 TRP 19 36.748 22.243 40.933 1.00 0.00 ATOM 35 NE1 TRP 19 37.189 25.560 42.150 1.00 0.00 ATOM 36 CZ2 TRP 19 38.350 24.472 40.199 1.00 0.00 ATOM 37 CZ3 TRP 19 37.636 22.184 39.850 1.00 0.00 ATOM 38 CH2 TRP 19 38.420 23.295 39.497 1.00 0.00 ATOM 39 O TRP 19 35.870 23.169 46.431 1.00 0.00 ATOM 40 C TRP 19 36.336 22.505 45.502 1.00 0.00 ATOM 41 N TRP 20 37.634 22.238 45.382 1.00 0.00 ATOM 42 CA TRP 20 38.622 22.713 46.351 1.00 0.00 ATOM 43 CB TRP 20 39.559 21.570 46.775 1.00 0.00 ATOM 44 CG TRP 20 38.876 20.400 47.380 1.00 0.00 ATOM 45 CD1 TRP 20 38.444 19.274 46.730 1.00 0.00 ATOM 46 CD2 TRP 20 38.519 20.232 48.756 1.00 0.00 ATOM 47 CE2 TRP 20 37.870 18.979 48.868 1.00 0.00 ATOM 48 CE3 TRP 20 38.677 21.017 49.904 1.00 0.00 ATOM 49 NE1 TRP 20 37.840 18.419 47.618 1.00 0.00 ATOM 50 CZ2 TRP 20 37.381 18.495 50.083 1.00 0.00 ATOM 51 CZ3 TRP 20 38.186 20.534 51.114 1.00 0.00 ATOM 52 CH2 TRP 20 37.547 19.284 51.191 1.00 0.00 ATOM 53 O TRP 20 40.228 24.471 46.613 1.00 0.00 ATOM 54 C TRP 20 39.507 23.840 45.834 1.00 0.00 ATOM 55 N GLY 21 39.466 24.087 44.526 1.00 0.00 ATOM 56 CA GLY 21 40.332 25.097 43.951 1.00 0.00 ATOM 57 O GLY 21 38.914 26.879 44.684 1.00 0.00 ATOM 58 C GLY 21 39.899 26.544 44.046 1.00 0.00 ATOM 59 N LEU 22 40.669 27.408 43.406 1.00 0.00 ATOM 60 CA LEU 22 40.366 28.822 43.375 1.00 0.00 ATOM 61 CB LEU 22 41.480 29.565 42.645 1.00 0.00 ATOM 62 CG LEU 22 41.479 31.089 42.725 1.00 0.00 ATOM 63 CD1 LEU 22 41.940 31.528 44.116 1.00 0.00 ATOM 64 CD2 LEU 22 42.397 31.640 41.665 1.00 0.00 ATOM 65 O LEU 22 38.814 28.240 41.646 1.00 0.00 ATOM 66 C LEU 22 39.056 28.971 42.603 1.00 0.00 ATOM 67 N PRO 23 38.184 29.906 43.017 1.00 0.00 ATOM 68 CA PRO 23 36.917 30.086 42.296 1.00 0.00 ATOM 69 CB PRO 23 36.372 31.394 42.881 1.00 0.00 ATOM 70 CG PRO 23 36.907 31.365 44.301 1.00 0.00 ATOM 71 CD PRO 23 38.334 30.913 44.085 1.00 0.00 ATOM 72 O PRO 23 38.181 30.925 40.434 1.00 0.00 ATOM 73 C PRO 23 37.250 30.206 40.805 1.00 0.00 ATOM 74 N CYS 24 36.515 29.482 39.963 1.00 0.00 ATOM 75 CA CYS 24 36.765 29.505 38.525 1.00 0.00 ATOM 76 CB CYS 24 37.997 28.657 38.201 1.00 0.00 ATOM 77 SG CYS 24 38.629 28.896 36.520 1.00 0.00 ATOM 78 O CYS 24 34.947 27.987 38.090 1.00 0.00 ATOM 79 C CYS 24 35.571 28.988 37.722 1.00 0.00 ATOM 80 N THR 25 35.252 29.668 36.624 1.00 0.00 ATOM 81 CA THR 25 34.124 29.256 35.788 1.00 0.00 ATOM 82 CB THR 25 33.186 30.452 35.478 1.00 0.00 ATOM 83 CG2 THR 25 32.454 30.894 36.747 1.00 0.00 ATOM 84 OG1 THR 25 33.955 31.555 34.979 1.00 0.00 ATOM 85 O THR 25 33.741 28.131 33.700 1.00 0.00 ATOM 86 C THR 25 34.568 28.610 34.480 1.00 0.00 ATOM 87 N VAL 26 35.874 28.587 34.243 1.00 0.00 ATOM 88 CA VAL 26 36.403 27.988 33.025 1.00 0.00 ATOM 89 CB VAL 26 37.913 28.294 32.848 1.00 0.00 ATOM 90 CG1 VAL 26 38.408 27.714 31.529 1.00 0.00 ATOM 91 CG2 VAL 26 38.160 29.790 32.889 1.00 0.00 ATOM 92 O VAL 26 36.367 25.858 34.137 1.00 0.00 ATOM 93 C VAL 26 36.227 26.470 33.079 1.00 0.00 ATOM 94 N THR 27 35.923 25.868 31.935 1.00 0.00 ATOM 95 CA THR 27 35.750 24.422 31.841 1.00 0.00 ATOM 96 CB THR 27 34.266 24.041 31.661 1.00 0.00 ATOM 97 CG2 THR 27 34.111 22.530 31.584 1.00 0.00 ATOM 98 OG1 THR 27 33.499 24.539 32.768 1.00 0.00 ATOM 99 O THR 27 36.386 24.544 29.543 1.00 0.00 ATOM 100 C THR 27 36.514 23.951 30.608 1.00 0.00 ATOM 101 N PRO 28 37.328 22.889 30.737 1.00 0.00 ATOM 102 CA PRO 28 37.572 22.116 31.955 1.00 0.00 ATOM 103 CB PRO 28 38.216 20.845 31.425 1.00 0.00 ATOM 104 CG PRO 28 39.064 21.381 30.328 1.00 0.00 ATOM 105 CD PRO 28 38.125 22.348 29.621 1.00 0.00 ATOM 106 O PRO 28 39.135 23.859 32.446 1.00 0.00 ATOM 107 C PRO 28 38.519 22.881 32.865 1.00 0.00 ATOM 108 N CYS 29 38.646 22.426 34.104 1.00 0.00 ATOM 109 CA CYS 29 39.530 23.090 35.042 1.00 0.00 ATOM 110 CB CYS 29 38.826 24.287 35.679 1.00 0.00 ATOM 111 SG CYS 29 39.909 25.400 36.612 1.00 0.00 ATOM 112 O CYS 29 39.205 21.283 36.584 1.00 0.00 ATOM 113 C CYS 29 39.970 22.140 36.137 1.00 0.00 ATOM 114 N PHE 30 41.220 22.295 36.548 1.00 0.00 ATOM 115 CA PHE 30 41.784 21.496 37.624 1.00 0.00 ATOM 116 CB PHE 30 43.197 21.043 37.279 1.00 0.00 ATOM 117 CG PHE 30 43.926 20.406 38.427 1.00 0.00 ATOM 118 CD1 PHE 30 43.550 19.150 38.899 1.00 0.00 ATOM 119 CD2 PHE 30 44.981 21.071 39.053 1.00 0.00 ATOM 120 CE1 PHE 30 44.216 18.560 39.983 1.00 0.00 ATOM 121 CE2 PHE 30 45.653 20.489 40.135 1.00 0.00 ATOM 122 CZ PHE 30 45.269 19.233 40.600 1.00 0.00 ATOM 123 O PHE 30 42.342 23.568 38.673 1.00 0.00 ATOM 124 C PHE 30 41.837 22.450 38.801 1.00 0.00 ATOM 125 N GLY 31 41.306 22.016 39.936 1.00 0.00 ATOM 126 CA GLY 31 41.318 22.850 41.118 1.00 0.00 ATOM 127 O GLY 31 41.635 20.867 42.441 1.00 0.00 ATOM 128 C GLY 31 41.892 22.074 42.290 1.00 0.00 ATOM 129 N ALA 32 42.688 22.758 43.105 1.00 0.00 ATOM 130 CA ALA 32 43.298 22.144 44.271 1.00 0.00 ATOM 131 CB ALA 32 44.649 21.499 43.882 1.00 0.00 ATOM 132 O ALA 32 43.733 24.354 45.159 1.00 0.00 ATOM 133 C ALA 32 43.526 23.151 45.399 1.00 0.00 ATOM 134 N ARG 33 43.479 22.655 46.631 1.00 0.00 ATOM 135 CA ARG 33 43.749 23.502 47.782 1.00 0.00 ATOM 136 CB ARG 33 42.623 23.438 48.807 1.00 0.00 ATOM 137 CG ARG 33 42.834 24.425 49.958 1.00 0.00 ATOM 138 CD ARG 33 41.734 24.313 50.984 1.00 0.00 ATOM 139 NE ARG 33 41.829 23.076 51.751 1.00 0.00 ATOM 140 CZ ARG 33 40.877 22.639 52.570 1.00 0.00 ATOM 141 NH1 ARG 33 39.762 23.340 52.717 1.00 0.00 ATOM 142 NH2 ARG 33 41.045 21.508 53.249 1.00 0.00 ATOM 143 O ARG 33 45.014 21.854 48.955 1.00 0.00 ATOM 144 C ARG 33 45.023 22.945 48.388 1.00 0.00 ATOM 145 N LEU 34 46.113 23.689 48.242 1.00 0.00 ATOM 146 CA LEU 34 47.414 23.276 48.757 1.00 0.00 ATOM 147 CB LEU 34 48.540 23.897 47.918 1.00 0.00 ATOM 148 CG LEU 34 48.439 23.642 46.409 1.00 0.00 ATOM 149 CD1 LEU 34 49.604 24.335 45.666 1.00 0.00 ATOM 150 CD2 LEU 34 48.444 22.135 46.164 1.00 0.00 ATOM 151 O LEU 34 47.209 24.778 50.591 1.00 0.00 ATOM 152 C LEU 34 47.601 23.689 50.204 1.00 0.00 ATOM 153 N VAL 35 48.189 22.801 51.001 1.00 0.00 ATOM 154 CA VAL 35 48.465 23.099 52.401 1.00 0.00 ATOM 155 CB VAL 35 48.759 21.814 53.207 1.00 0.00 ATOM 156 CG1 VAL 35 49.248 22.171 54.613 1.00 0.00 ATOM 157 CG2 VAL 35 47.506 20.956 53.278 1.00 0.00 ATOM 158 O VAL 35 50.748 23.559 51.840 1.00 0.00 ATOM 159 C VAL 35 49.720 23.960 52.388 1.00 0.00 ATOM 160 N GLN 36 49.627 25.140 52.986 1.00 0.00 ATOM 161 CA GLN 36 50.744 26.069 53.038 1.00 0.00 ATOM 162 CB GLN 36 50.252 27.474 52.672 1.00 0.00 ATOM 163 CG GLN 36 51.318 28.565 52.659 1.00 0.00 ATOM 164 CD GLN 36 51.448 29.272 53.996 1.00 0.00 ATOM 165 OE1 GLN 36 50.446 29.596 54.633 1.00 0.00 ATOM 166 NE2 GLN 36 52.681 29.528 54.419 1.00 0.00 ATOM 167 O GLN 36 50.729 26.499 55.390 1.00 0.00 ATOM 168 C GLN 36 51.367 26.079 54.431 1.00 0.00 ATOM 169 N GLU 37 52.608 25.608 54.520 1.00 0.00 ATOM 170 CA GLU 37 53.355 25.563 55.773 1.00 0.00 ATOM 171 CB GLU 37 53.655 24.108 56.156 1.00 0.00 ATOM 172 CG GLU 37 54.480 23.937 57.425 1.00 0.00 ATOM 173 CD GLU 37 53.631 23.847 58.683 1.00 0.00 ATOM 174 OE1 GLU 37 52.910 22.838 58.847 1.00 0.00 ATOM 175 OE2 GLU 37 53.683 24.784 59.507 1.00 0.00 ATOM 176 O GLU 37 55.598 25.803 54.917 1.00 0.00 ATOM 177 C GLU 37 54.663 26.325 55.534 1.00 0.00 ATOM 178 N GLY 38 54.728 27.560 56.022 1.00 0.00 ATOM 179 CA GLY 38 55.924 28.360 55.812 1.00 0.00 ATOM 180 O GLY 38 55.042 29.074 53.723 1.00 0.00 ATOM 181 C GLY 38 56.021 28.640 54.326 1.00 0.00 ATOM 182 N ASN 39 57.181 28.396 53.725 1.00 0.00 ATOM 183 CA ASN 39 57.334 28.623 52.293 1.00 0.00 ATOM 184 CB ASN 39 58.677 29.285 51.982 1.00 0.00 ATOM 185 CG ASN 39 58.805 30.661 52.603 1.00 0.00 ATOM 186 ND2 ASN 39 59.894 30.882 53.332 1.00 0.00 ATOM 187 OD1 ASN 39 57.936 31.519 52.427 1.00 0.00 ATOM 188 O ASN 39 57.635 27.166 50.403 1.00 0.00 ATOM 189 C ASN 39 57.223 27.292 51.557 1.00 0.00 ATOM 190 N ARG 40 56.663 26.301 52.243 1.00 0.00 ATOM 191 CA ARG 40 56.470 24.977 51.676 1.00 0.00 ATOM 192 CB ARG 40 56.895 23.900 52.675 1.00 0.00 ATOM 193 CG ARG 40 58.383 23.584 52.685 1.00 0.00 ATOM 194 CD ARG 40 59.231 24.757 53.148 1.00 0.00 ATOM 195 NE ARG 40 60.654 24.419 53.130 1.00 0.00 ATOM 196 CZ ARG 40 61.195 23.426 53.829 1.00 0.00 ATOM 197 NH1 ARG 40 60.436 22.667 54.610 1.00 0.00 ATOM 198 NH2 ARG 40 62.495 23.181 53.737 1.00 0.00 ATOM 199 O ARG 40 54.104 25.243 52.005 1.00 0.00 ATOM 200 C ARG 40 55.005 24.769 51.309 1.00 0.00 ATOM 201 N LEU 41 54.773 24.066 50.207 1.00 0.00 ATOM 202 CA LEU 41 53.417 23.786 49.764 1.00 0.00 ATOM 203 CB LEU 41 53.148 24.441 48.406 1.00 0.00 ATOM 204 CG LEU 41 53.005 25.962 48.459 1.00 0.00 ATOM 205 CD1 LEU 41 52.764 26.513 47.057 1.00 0.00 ATOM 206 CD2 LEU 41 51.851 26.324 49.381 1.00 0.00 ATOM 207 O LEU 41 54.132 21.577 49.216 1.00 0.00 ATOM 208 C LEU 41 53.243 22.285 49.670 1.00 0.00 ATOM 209 N HIS 42 52.091 21.799 50.105 1.00 0.00 ATOM 210 CA HIS 42 51.843 20.376 50.067 1.00 0.00 ATOM 211 CB HIS 42 51.772 19.844 51.495 1.00 0.00 ATOM 212 CG HIS 42 53.042 20.040 52.264 1.00 0.00 ATOM 213 CD2 HIS 42 53.346 20.869 53.292 1.00 0.00 ATOM 214 ND1 HIS 42 54.202 19.357 51.968 1.00 0.00 ATOM 215 CE1 HIS 42 55.165 19.755 52.780 1.00 0.00 ATOM 216 NE2 HIS 42 54.672 20.672 53.593 1.00 0.00 ATOM 217 O HIS 42 49.488 20.473 49.640 1.00 0.00 ATOM 218 C HIS 42 50.581 20.031 49.295 1.00 0.00 ATOM 219 N TYR 43 50.748 19.229 48.248 1.00 0.00 ATOM 220 CA TYR 43 49.630 18.805 47.412 1.00 0.00 ATOM 221 CB TYR 43 50.120 18.461 46.006 1.00 0.00 ATOM 222 CG TYR 43 49.045 17.836 45.148 1.00 0.00 ATOM 223 CD1 TYR 43 47.947 18.585 44.728 1.00 0.00 ATOM 224 CD2 TYR 43 49.112 16.489 44.773 1.00 0.00 ATOM 225 CE1 TYR 43 46.940 18.021 43.961 1.00 0.00 ATOM 226 CE2 TYR 43 48.109 15.912 44.002 1.00 0.00 ATOM 227 CZ TYR 43 47.024 16.683 43.605 1.00 0.00 ATOM 228 OH TYR 43 45.989 16.129 42.899 1.00 0.00 ATOM 229 O TYR 43 49.531 16.592 48.302 1.00 0.00 ATOM 230 C TYR 43 48.906 17.595 47.978 1.00 0.00 ATOM 231 N LEU 44 47.586 17.711 48.089 1.00 0.00 ATOM 232 CA LEU 44 46.732 16.644 48.574 1.00 0.00 ATOM 233 CB LEU 44 45.969 17.091 49.823 1.00 0.00 ATOM 234 CG LEU 44 46.829 17.319 51.064 1.00 0.00 ATOM 235 CD1 LEU 44 45.939 17.734 52.233 1.00 0.00 ATOM 236 CD2 LEU 44 47.588 16.042 51.394 1.00 0.00 ATOM 237 O LEU 44 44.905 17.080 47.074 1.00 0.00 ATOM 238 C LEU 44 45.746 16.266 47.473 1.00 0.00 ATOM 239 N ALA 45 45.848 15.032 46.983 1.00 0.00 ATOM 240 CA ALA 45 44.971 14.558 45.913 1.00 0.00 ATOM 241 CB ALA 45 45.370 13.145 45.490 1.00 0.00 ATOM 242 O ALA 45 42.644 14.907 45.493 1.00 0.00 ATOM 243 C ALA 45 43.503 14.595 46.316 1.00 0.00 ATOM 244 N ASP 46 43.217 14.289 47.580 1.00 0.00 ATOM 245 CA ASP 46 41.848 14.309 48.078 1.00 0.00 ATOM 246 CB ASP 46 41.746 13.567 49.409 1.00 0.00 ATOM 247 CG ASP 46 41.857 12.072 49.244 1.00 0.00 ATOM 248 OD1 ASP 46 41.155 11.519 48.370 1.00 0.00 ATOM 249 OD2 ASP 46 42.636 11.447 49.992 1.00 0.00 ATOM 250 O ASP 46 40.227 15.957 48.745 1.00 0.00 ATOM 251 C ASP 46 41.345 15.740 48.271 1.00 0.00 ATOM 252 N ARG 47 42.182 16.709 47.928 1.00 0.00 ATOM 253 CA ARG 47 41.809 18.117 48.056 1.00 0.00 ATOM 254 CB ARG 47 42.685 18.798 49.118 1.00 0.00 ATOM 255 CG ARG 47 42.476 18.243 50.528 1.00 0.00 ATOM 256 CD ARG 47 41.110 18.634 51.086 1.00 0.00 ATOM 257 NE ARG 47 40.845 18.027 52.390 1.00 0.00 ATOM 258 CZ ARG 47 40.232 16.860 52.566 1.00 0.00 ATOM 259 NH1 ARG 47 39.812 16.159 51.511 1.00 0.00 ATOM 260 NH2 ARG 47 40.020 16.403 53.798 1.00 0.00 ATOM 261 O ARG 47 42.413 19.929 46.595 1.00 0.00 ATOM 262 C ARG 47 42.017 18.765 46.695 1.00 0.00 ATOM 263 N ALA 48 41.763 17.977 45.655 1.00 0.00 ATOM 264 CA ALA 48 41.915 18.404 44.274 1.00 0.00 ATOM 265 CB ALA 48 43.329 18.073 43.769 1.00 0.00 ATOM 266 O ALA 48 40.229 16.738 43.891 1.00 0.00 ATOM 267 C ALA 48 40.870 17.676 43.427 1.00 0.00 ATOM 268 N GLY 49 40.700 18.116 42.186 1.00 0.00 ATOM 269 CA GLY 49 39.729 17.476 41.319 1.00 0.00 ATOM 270 O GLY 49 40.194 19.313 39.854 1.00 0.00 ATOM 271 C GLY 49 39.626 18.223 40.009 1.00 0.00 ATOM 272 N ILE 50 38.896 17.647 39.062 1.00 0.00 ATOM 273 CA ILE 50 38.743 18.272 37.759 1.00 0.00 ATOM 274 CB ILE 50 39.413 17.407 36.673 1.00 0.00 ATOM 275 CG1 ILE 50 40.933 17.448 36.855 1.00 0.00 ATOM 276 CG2 ILE 50 38.994 17.885 35.276 1.00 0.00 ATOM 277 CD1 ILE 50 41.674 16.346 36.121 1.00 0.00 ATOM 278 O ILE 50 36.424 17.688 37.687 1.00 0.00 ATOM 279 C ILE 50 37.288 18.500 37.380 1.00 0.00 ATOM 280 N ARG 51 37.024 19.628 36.733 1.00 0.00 ATOM 281 CA ARG 51 35.682 19.946 36.260 1.00 0.00 ATOM 282 CB ARG 51 35.301 21.381 36.616 1.00 0.00 ATOM 283 CG ARG 51 34.716 21.570 38.003 1.00 0.00 ATOM 284 CD ARG 51 34.729 23.050 38.332 1.00 0.00 ATOM 285 NE ARG 51 33.969 23.388 39.533 1.00 0.00 ATOM 286 CZ ARG 51 34.006 24.588 40.099 1.00 0.00 ATOM 287 NH1 ARG 51 34.766 25.532 39.574 1.00 0.00 ATOM 288 NH2 ARG 51 33.269 24.852 41.164 1.00 0.00 ATOM 289 O ARG 51 36.575 20.481 34.110 1.00 0.00 ATOM 290 C ARG 51 35.756 19.820 34.746 1.00 0.00 ATOM 291 N GLY 52 34.919 18.963 34.172 1.00 0.00 ATOM 292 CA GLY 52 34.930 18.783 32.731 1.00 0.00 ATOM 293 O GLY 52 36.360 16.884 33.046 1.00 0.00 ATOM 294 C GLY 52 35.925 17.735 32.270 1.00 0.00 ATOM 295 N LEU 53 36.292 17.802 30.996 1.00 0.00 ATOM 296 CA LEU 53 37.228 16.850 30.415 1.00 0.00 ATOM 297 CB LEU 53 36.501 15.946 29.414 1.00 0.00 ATOM 298 CG LEU 53 37.411 15.069 28.543 1.00 0.00 ATOM 299 CD1 LEU 53 38.044 13.981 29.404 1.00 0.00 ATOM 300 CD2 LEU 53 36.613 14.450 27.397 1.00 0.00 ATOM 301 O LEU 53 38.177 18.311 28.768 1.00 0.00 ATOM 302 C LEU 53 38.383 17.542 29.709 1.00 0.00 ATOM 303 N PHE 54 39.601 17.279 30.167 1.00 0.00 ATOM 304 CA PHE 54 40.773 17.866 29.537 1.00 0.00 ATOM 305 CB PHE 54 41.990 17.834 30.471 1.00 0.00 ATOM 306 CG PHE 54 42.057 18.979 31.445 1.00 0.00 ATOM 307 CD1 PHE 54 41.403 18.912 32.670 1.00 0.00 ATOM 308 CD2 PHE 54 42.798 20.117 31.143 1.00 0.00 ATOM 309 CE1 PHE 54 41.491 19.970 33.589 1.00 0.00 ATOM 310 CE2 PHE 54 42.892 21.181 32.056 1.00 0.00 ATOM 311 CZ PHE 54 42.238 21.103 33.280 1.00 0.00 ATOM 312 O PHE 54 41.079 15.824 28.321 1.00 0.00 ATOM 313 C PHE 54 41.125 17.057 28.298 1.00 0.00 ATOM 314 N SER 55 41.474 17.745 27.216 1.00 0.00 ATOM 315 CA SER 55 41.890 17.050 26.008 1.00 0.00 ATOM 316 CB SER 55 42.298 18.055 24.925 1.00 0.00 ATOM 317 OG SER 55 43.408 18.841 25.336 1.00 0.00 ATOM 318 O SER 55 43.708 16.580 27.493 1.00 0.00 ATOM 319 C SER 55 43.105 16.250 26.470 1.00 0.00 ATOM 320 N ASP 56 43.465 15.199 25.742 1.00 0.00 ATOM 321 CA ASP 56 44.609 14.383 26.135 1.00 0.00 ATOM 322 CB ASP 56 44.798 13.227 25.153 1.00 0.00 ATOM 323 CG ASP 56 45.286 13.695 23.798 1.00 0.00 ATOM 324 OD1 ASP 56 44.579 14.508 23.162 1.00 0.00 ATOM 325 OD2 ASP 56 46.381 13.255 23.376 1.00 0.00 ATOM 326 O ASP 56 46.736 15.045 27.044 1.00 0.00 ATOM 327 C ASP 56 45.880 15.230 26.179 1.00 0.00 ATOM 328 N ALA 57 45.999 16.158 25.236 1.00 0.00 ATOM 329 CA ALA 57 47.161 17.029 25.170 1.00 0.00 ATOM 330 CB ALA 57 47.097 17.878 23.911 1.00 0.00 ATOM 331 O ALA 57 48.362 18.140 26.937 1.00 0.00 ATOM 332 C ALA 57 47.266 17.927 26.410 1.00 0.00 ATOM 333 N ASP 58 46.132 18.452 26.869 1.00 0.00 ATOM 334 CA ASP 58 46.119 19.320 28.047 1.00 0.00 ATOM 335 CB ASP 58 44.795 20.085 28.144 1.00 0.00 ATOM 336 CG ASP 58 44.637 21.119 27.045 1.00 0.00 ATOM 337 OD1 ASP 58 45.658 21.688 26.610 1.00 0.00 ATOM 338 OD2 ASP 58 43.492 21.377 26.627 1.00 0.00 ATOM 339 O ASP 58 47.092 19.012 30.223 1.00 0.00 ATOM 340 C ASP 58 46.363 18.547 29.347 1.00 0.00 ATOM 341 N ALA 59 45.752 17.374 29.472 1.00 0.00 ATOM 342 CA ALA 59 45.933 16.559 30.666 1.00 0.00 ATOM 343 CB ALA 59 45.115 15.287 30.565 1.00 0.00 ATOM 344 O ALA 59 47.947 16.236 31.935 1.00 0.00 ATOM 345 C ALA 59 47.412 16.223 30.825 1.00 0.00 ATOM 346 N TYR 60 48.071 15.931 29.708 1.00 0.00 ATOM 347 CA TYR 60 49.486 15.602 29.732 1.00 0.00 ATOM 348 CB TYR 60 49.922 15.077 28.360 1.00 0.00 ATOM 349 CG TYR 60 51.412 14.884 28.219 1.00 0.00 ATOM 350 CD1 TYR 60 52.235 15.940 27.843 1.00 0.00 ATOM 351 CD2 TYR 60 52.002 13.650 28.475 1.00 0.00 ATOM 352 CE1 TYR 60 53.606 15.773 27.723 1.00 0.00 ATOM 353 CE2 TYR 60 53.373 13.473 28.359 1.00 0.00 ATOM 354 CZ TYR 60 54.167 14.538 27.982 1.00 0.00 ATOM 355 OH TYR 60 55.526 14.376 27.857 1.00 0.00 ATOM 356 O TYR 60 51.243 16.669 30.977 1.00 0.00 ATOM 357 C TYR 60 50.346 16.799 30.145 1.00 0.00 ATOM 358 N HIS 61 50.077 17.963 29.564 1.00 0.00 ATOM 359 CA HIS 61 50.835 19.163 29.900 1.00 0.00 ATOM 360 CB HIS 61 50.477 20.295 28.936 1.00 0.00 ATOM 361 CG HIS 61 51.082 20.137 27.577 1.00 0.00 ATOM 362 CD2 HIS 61 51.982 19.244 27.101 1.00 0.00 ATOM 363 ND1 HIS 61 50.790 20.983 26.528 1.00 0.00 ATOM 364 CE1 HIS 61 51.484 20.617 25.465 1.00 0.00 ATOM 365 NE2 HIS 61 52.215 19.566 25.787 1.00 0.00 ATOM 366 O HIS 61 51.480 20.093 32.019 1.00 0.00 ATOM 367 C HIS 61 50.582 19.595 31.345 1.00 0.00 ATOM 368 N LEU 62 49.355 19.403 31.808 1.00 0.00 ATOM 369 CA LEU 62 48.980 19.751 33.173 1.00 0.00 ATOM 370 CB LEU 62 47.501 19.432 33.403 1.00 0.00 ATOM 371 CG LEU 62 46.717 20.036 34.578 1.00 0.00 ATOM 372 CD1 LEU 62 45.573 19.089 34.922 1.00 0.00 ATOM 373 CD2 LEU 62 47.595 20.261 35.795 1.00 0.00 ATOM 374 O LEU 62 50.513 19.396 35.006 1.00 0.00 ATOM 375 C LEU 62 49.831 18.893 34.111 1.00 0.00 ATOM 376 N ASP 63 49.789 17.585 33.890 1.00 0.00 ATOM 377 CA ASP 63 50.543 16.666 34.725 1.00 0.00 ATOM 378 CB ASP 63 50.286 15.224 34.307 1.00 0.00 ATOM 379 CG ASP 63 51.187 14.260 35.036 1.00 0.00 ATOM 380 OD1 ASP 63 50.944 14.015 36.232 1.00 0.00 ATOM 381 OD2 ASP 63 52.153 13.773 34.420 1.00 0.00 ATOM 382 O ASP 63 52.686 16.822 35.780 1.00 0.00 ATOM 383 C ASP 63 52.052 16.904 34.730 1.00 0.00 ATOM 384 N GLN 64 52.624 17.186 33.563 1.00 0.00 ATOM 385 CA GLN 64 54.066 17.410 33.455 1.00 0.00 ATOM 386 CB GLN 64 54.505 17.393 31.984 1.00 0.00 ATOM 387 CG GLN 64 54.411 16.037 31.286 1.00 0.00 ATOM 388 CD GLN 64 55.281 14.967 31.932 1.00 0.00 ATOM 389 OE1 GLN 64 54.944 14.423 32.987 1.00 0.00 ATOM 390 NE2 GLN 64 56.410 14.663 31.301 1.00 0.00 ATOM 391 O GLN 64 55.615 18.800 34.648 1.00 0.00 ATOM 392 C GLN 64 54.522 18.721 34.087 1.00 0.00 ATOM 393 N ALA 65 53.689 19.750 33.987 1.00 0.00 ATOM 394 CA ALA 65 54.026 21.056 34.534 1.00 0.00 ATOM 395 CB ALA 65 53.341 22.147 33.713 1.00 0.00 ATOM 396 O ALA 65 54.154 22.198 36.634 1.00 0.00 ATOM 397 C ALA 65 53.687 21.244 36.011 1.00 0.00 ATOM 398 N PHE 66 52.889 20.349 36.585 1.00 0.00 ATOM 399 CA PHE 66 52.502 20.523 37.983 1.00 0.00 ATOM 400 CB PHE 66 51.592 19.384 38.454 1.00 0.00 ATOM 401 CG PHE 66 50.836 19.707 39.710 1.00 0.00 ATOM 402 CD1 PHE 66 49.990 20.810 39.759 1.00 0.00 ATOM 403 CD2 PHE 66 50.990 18.932 40.854 1.00 0.00 ATOM 404 CE1 PHE 66 49.309 21.139 40.931 1.00 0.00 ATOM 405 CE2 PHE 66 50.314 19.250 42.026 1.00 0.00 ATOM 406 CZ PHE 66 49.473 20.356 42.066 1.00 0.00 ATOM 407 O PHE 66 53.600 21.556 39.836 1.00 0.00 ATOM 408 C PHE 66 53.661 20.695 38.966 1.00 0.00 ATOM 409 N PRO 67 54.728 19.881 38.848 1.00 0.00 ATOM 410 CA PRO 67 55.850 20.040 39.789 1.00 0.00 ATOM 411 CB PRO 67 56.794 18.898 39.409 1.00 0.00 ATOM 412 CG PRO 67 55.860 17.858 38.844 1.00 0.00 ATOM 413 CD PRO 67 54.921 18.694 37.998 1.00 0.00 ATOM 414 O PRO 67 56.912 22.019 40.629 1.00 0.00 ATOM 415 C PRO 67 56.510 21.406 39.645 1.00 0.00 ATOM 416 N LEU 68 56.610 21.886 38.411 1.00 0.00 ATOM 417 CA LEU 68 57.205 23.190 38.162 1.00 0.00 ATOM 418 CB LEU 68 57.346 23.430 36.657 1.00 0.00 ATOM 419 CG LEU 68 58.073 24.713 36.257 1.00 0.00 ATOM 420 CD1 LEU 68 59.509 24.660 36.764 1.00 0.00 ATOM 421 CD2 LEU 68 58.059 24.868 34.750 1.00 0.00 ATOM 422 O LEU 68 56.778 25.176 39.457 1.00 0.00 ATOM 423 C LEU 68 56.305 24.256 38.782 1.00 0.00 ATOM 424 N LEU 69 55.002 24.121 38.551 1.00 0.00 ATOM 425 CA LEU 69 54.030 25.059 39.096 1.00 0.00 ATOM 426 CB LEU 69 52.607 24.631 38.711 1.00 0.00 ATOM 427 CG LEU 69 52.258 24.698 37.214 1.00 0.00 ATOM 428 CD1 LEU 69 50.842 24.167 36.979 1.00 0.00 ATOM 429 CD2 LEU 69 52.367 26.146 36.717 1.00 0.00 ATOM 430 O LEU 69 54.240 26.224 41.186 1.00 0.00 ATOM 431 C LEU 69 54.174 25.137 40.616 1.00 0.00 ATOM 432 N MET 70 54.230 23.978 41.265 1.00 0.00 ATOM 433 CA MET 70 54.383 23.911 42.718 1.00 0.00 ATOM 434 CB MET 70 54.564 22.459 43.168 1.00 0.00 ATOM 435 CG MET 70 53.348 21.584 42.995 1.00 0.00 ATOM 436 SD MET 70 51.885 22.186 44.088 1.00 0.00 ATOM 437 CE MET 70 52.498 21.529 45.804 1.00 0.00 ATOM 438 O MET 70 55.539 25.531 44.075 1.00 0.00 ATOM 439 C MET 70 55.609 24.710 43.162 1.00 0.00 ATOM 440 N LYS 71 56.731 24.449 42.503 1.00 0.00 ATOM 441 CA LYS 71 57.991 25.111 42.811 1.00 0.00 ATOM 442 CB LYS 71 59.087 24.576 41.889 1.00 0.00 ATOM 443 CG LYS 71 60.492 24.807 42.392 1.00 0.00 ATOM 444 CD LYS 71 60.795 23.918 43.591 1.00 0.00 ATOM 445 CE LYS 71 60.659 22.442 43.238 1.00 0.00 ATOM 446 NZ LYS 71 61.042 21.565 44.381 1.00 0.00 ATOM 447 O LYS 71 58.293 27.395 43.506 1.00 0.00 ATOM 448 C LYS 71 57.862 26.625 42.646 1.00 0.00 ATOM 449 N GLN 72 57.258 27.052 41.544 1.00 0.00 ATOM 450 CA GLN 72 57.088 28.476 41.297 1.00 0.00 ATOM 451 CB GLN 72 56.449 28.709 39.929 1.00 0.00 ATOM 452 CG GLN 72 57.343 28.296 38.783 1.00 0.00 ATOM 453 CD GLN 72 56.803 28.705 37.425 1.00 0.00 ATOM 454 OE1 GLN 72 57.469 28.528 36.404 1.00 0.00 ATOM 455 NE2 GLN 72 55.595 29.255 37.406 1.00 0.00 ATOM 456 O GLN 72 56.570 30.227 42.837 1.00 0.00 ATOM 457 C GLN 72 56.254 29.130 42.387 1.00 0.00 ATOM 458 N LEU 73 55.197 28.454 42.826 1.00 0.00 ATOM 459 CA LEU 73 54.350 29.007 43.871 1.00 0.00 ATOM 460 CB LEU 73 53.087 28.153 44.044 1.00 0.00 ATOM 461 CG LEU 73 52.114 28.147 42.854 1.00 0.00 ATOM 462 CD1 LEU 73 50.938 27.229 43.168 1.00 0.00 ATOM 463 CD2 LEU 73 51.616 29.560 42.568 1.00 0.00 ATOM 464 O LEU 73 54.917 30.084 45.942 1.00 0.00 ATOM 465 C LEU 73 55.113 29.123 45.193 1.00 0.00 ATOM 466 N GLU 74 55.989 28.162 45.480 1.00 0.00 ATOM 467 CA GLU 74 56.772 28.214 46.718 1.00 0.00 ATOM 468 CB GLU 74 57.490 26.888 46.970 1.00 0.00 ATOM 469 CG GLU 74 56.570 25.722 47.243 1.00 0.00 ATOM 470 CD GLU 74 57.329 24.481 47.651 1.00 0.00 ATOM 471 OE1 GLU 74 58.319 24.134 46.971 1.00 0.00 ATOM 472 OE2 GLU 74 56.935 23.848 48.650 1.00 0.00 ATOM 473 O GLU 74 58.141 29.959 47.666 1.00 0.00 ATOM 474 C GLU 74 57.813 29.332 46.653 1.00 0.00 ATOM 475 N LEU 75 58.342 29.558 45.456 1.00 0.00 ATOM 476 CA LEU 75 59.328 30.600 45.246 1.00 0.00 ATOM 477 CB LEU 75 59.767 30.617 43.777 1.00 0.00 ATOM 478 CG LEU 75 60.807 31.659 43.359 1.00 0.00 ATOM 479 CD1 LEU 75 62.085 31.453 44.156 1.00 0.00 ATOM 480 CD2 LEU 75 61.080 31.546 41.869 1.00 0.00 ATOM 481 O LEU 75 59.231 32.741 46.327 1.00 0.00 ATOM 482 C LEU 75 58.657 31.915 45.615 1.00 0.00 ATOM 483 N MET 76 57.423 32.085 45.146 1.00 0.00 ATOM 484 CA MET 76 56.652 33.293 45.410 1.00 0.00 ATOM 485 CB MET 76 55.380 33.289 44.562 1.00 0.00 ATOM 486 CG MET 76 55.659 33.083 43.083 1.00 0.00 ATOM 487 SD MET 76 54.099 33.245 41.959 1.00 0.00 ATOM 488 CE MET 76 54.802 34.504 40.669 1.00 0.00 ATOM 489 O MET 76 56.079 34.567 47.365 1.00 0.00 ATOM 490 C MET 76 56.304 33.453 46.891 1.00 0.00 ATOM 491 N LEU 77 56.245 32.343 47.620 1.00 0.00 ATOM 492 CA LEU 77 55.961 32.406 49.052 1.00 0.00 ATOM 493 CB LEU 77 55.587 31.025 49.605 1.00 0.00 ATOM 494 CG LEU 77 54.180 30.462 49.375 1.00 0.00 ATOM 495 CD1 LEU 77 54.134 29.028 49.894 1.00 0.00 ATOM 496 CD2 LEU 77 53.144 31.323 50.088 1.00 0.00 ATOM 497 O LEU 77 57.194 33.750 50.616 1.00 0.00 ATOM 498 C LEU 77 57.234 32.889 49.741 1.00 0.00 ATOM 499 N THR 78 58.361 32.315 49.330 1.00 0.00 ATOM 500 CA THR 78 59.661 32.662 49.880 1.00 0.00 ATOM 501 CB THR 78 60.770 31.776 49.269 1.00 0.00 ATOM 502 CG2 THR 78 62.111 32.034 49.963 1.00 0.00 ATOM 503 OG1 THR 78 60.414 30.394 49.415 1.00 0.00 ATOM 504 O THR 78 60.439 34.864 50.434 1.00 0.00 ATOM 505 C THR 78 59.971 34.122 49.570 1.00 0.00 ATOM 506 N SER 79 59.701 34.527 48.333 1.00 0.00 ATOM 507 CA SER 79 59.955 35.897 47.895 1.00 0.00 ATOM 508 CB SER 79 59.879 35.987 46.376 1.00 0.00 ATOM 509 OG SER 79 58.543 35.821 45.946 1.00 0.00 ATOM 510 O SER 79 59.240 38.045 48.661 1.00 0.00 ATOM 511 C SER 79 58.946 36.866 48.493 1.00 0.00 ATOM 512 N GLY 80 57.751 36.371 48.800 1.00 0.00 ATOM 513 CA GLY 80 56.732 37.227 49.382 1.00 0.00 ATOM 514 O GLY 80 54.603 38.203 48.893 1.00 0.00 ATOM 515 C GLY 80 55.597 37.618 48.450 1.00 0.00 ATOM 516 N GLU 81 55.731 37.300 47.164 1.00 0.00 ATOM 517 CA GLU 81 54.695 37.629 46.194 1.00 0.00 ATOM 518 CB GLU 81 55.079 37.127 44.802 1.00 0.00 ATOM 519 CG GLU 81 54.333 37.849 43.691 1.00 0.00 ATOM 520 CD GLU 81 54.750 37.394 42.309 1.00 0.00 ATOM 521 OE1 GLU 81 55.970 37.280 42.061 1.00 0.00 ATOM 522 OE2 GLU 81 53.856 37.162 41.468 1.00 0.00 ATOM 523 O GLU 81 52.321 37.661 46.486 1.00 0.00 ATOM 524 C GLU 81 53.359 37.026 46.619 1.00 0.00 ATOM 525 N LEU 82 53.383 35.790 47.108 1.00 0.00 ATOM 526 CA LEU 82 52.163 35.144 47.593 1.00 0.00 ATOM 527 CB LEU 82 52.150 33.647 47.256 1.00 0.00 ATOM 528 CG LEU 82 51.489 33.194 45.953 1.00 0.00 ATOM 529 CD1 LEU 82 51.671 31.704 45.791 1.00 0.00 ATOM 530 CD2 LEU 82 50.002 33.541 45.971 1.00 0.00 ATOM 531 O LEU 82 53.137 34.882 49.762 1.00 0.00 ATOM 532 C LEU 82 52.197 35.324 49.106 1.00 0.00 ATOM 533 N ASN 83 51.185 35.981 49.657 1.00 0.00 ATOM 534 CA ASN 83 51.148 36.220 51.095 1.00 0.00 ATOM 535 CB ASN 83 51.157 37.725 51.379 1.00 0.00 ATOM 536 CG ASN 83 51.370 38.034 52.843 1.00 0.00 ATOM 537 ND2 ASN 83 52.405 38.815 53.139 1.00 0.00 ATOM 538 OD1 ASN 83 50.616 37.576 53.703 1.00 0.00 ATOM 539 O ASN 83 48.790 35.898 51.366 1.00 0.00 ATOM 540 C ASN 83 49.919 35.584 51.729 1.00 0.00 ATOM 541 N PRO 84 50.134 34.681 52.698 1.00 0.00 ATOM 542 CA PRO 84 49.086 33.958 53.427 1.00 0.00 ATOM 543 CB PRO 84 49.874 33.175 54.469 1.00 0.00 ATOM 544 CG PRO 84 51.155 32.888 53.762 1.00 0.00 ATOM 545 CD PRO 84 51.469 34.218 53.114 1.00 0.00 ATOM 546 O PRO 84 46.886 34.396 54.282 1.00 0.00 ATOM 547 C PRO 84 48.014 34.840 54.065 1.00 0.00 ATOM 548 N ARG 85 48.357 36.087 54.364 1.00 0.00 ATOM 549 CA ARG 85 47.399 36.983 54.997 1.00 0.00 ATOM 550 CB ARG 85 48.060 37.734 56.155 1.00 0.00 ATOM 551 CG ARG 85 48.644 36.845 57.238 1.00 0.00 ATOM 552 CD ARG 85 48.871 37.647 58.507 1.00 0.00 ATOM 553 NE ARG 85 47.604 38.059 59.102 1.00 0.00 ATOM 554 CZ ARG 85 46.853 37.278 59.871 1.00 0.00 ATOM 555 NH1 ARG 85 47.247 36.042 60.145 1.00 0.00 ATOM 556 NH2 ARG 85 45.704 37.728 60.358 1.00 0.00 ATOM 557 O ARG 85 46.023 38.875 54.490 1.00 0.00 ATOM 558 C ARG 85 46.767 37.994 54.051 1.00 0.00 ATOM 559 N HIS 86 47.053 37.880 52.760 1.00 0.00 ATOM 560 CA HIS 86 46.483 38.816 51.798 1.00 0.00 ATOM 561 CB HIS 86 47.551 39.807 51.327 1.00 0.00 ATOM 562 CG HIS 86 48.189 40.580 52.439 1.00 0.00 ATOM 563 CD2 HIS 86 49.489 40.757 52.771 1.00 0.00 ATOM 564 ND1 HIS 86 47.457 41.293 53.365 1.00 0.00 ATOM 565 CE1 HIS 86 48.279 41.874 54.220 1.00 0.00 ATOM 566 NE2 HIS 86 49.518 41.565 53.882 1.00 0.00 ATOM 567 O HIS 86 46.401 37.148 50.074 1.00 0.00 ATOM 568 C HIS 86 45.864 38.130 50.589 1.00 0.00 ATOM 569 N GLN 87 44.721 38.646 50.151 1.00 0.00 ATOM 570 CA GLN 87 44.045 38.104 48.983 1.00 0.00 ATOM 571 CB GLN 87 42.549 38.424 49.017 1.00 0.00 ATOM 572 CG GLN 87 41.788 37.952 47.780 1.00 0.00 ATOM 573 CD GLN 87 42.094 38.785 46.539 1.00 0.00 ATOM 574 OE1 GLN 87 41.784 39.976 46.487 1.00 0.00 ATOM 575 NE2 GLN 87 42.708 38.160 45.538 1.00 0.00 ATOM 576 O GLN 87 44.566 39.961 47.563 1.00 0.00 ATOM 577 C GLN 87 44.683 38.753 47.767 1.00 0.00 ATOM 578 N HIS 88 45.369 37.943 46.971 1.00 0.00 ATOM 579 CA HIS 88 46.039 38.423 45.771 1.00 0.00 ATOM 580 CB HIS 88 47.387 39.053 46.130 1.00 0.00 ATOM 581 CG HIS 88 48.217 39.416 44.939 1.00 0.00 ATOM 582 CD2 HIS 88 49.443 38.997 44.545 1.00 0.00 ATOM 583 ND1 HIS 88 47.781 40.292 43.967 1.00 0.00 ATOM 584 CE1 HIS 88 48.701 40.394 43.025 1.00 0.00 ATOM 585 NE2 HIS 88 49.719 39.618 43.352 1.00 0.00 ATOM 586 O HIS 88 46.900 36.261 45.167 1.00 0.00 ATOM 587 C HIS 88 46.248 37.251 44.818 1.00 0.00 ATOM 588 N THR 89 45.708 37.373 43.611 1.00 0.00 ATOM 589 CA THR 89 45.824 36.304 42.631 1.00 0.00 ATOM 590 CB THR 89 44.552 36.215 41.788 1.00 0.00 ATOM 591 CG2 THR 89 44.644 35.068 40.797 1.00 0.00 ATOM 592 OG1 THR 89 43.428 36.015 42.652 1.00 0.00 ATOM 593 O THR 89 47.176 37.427 40.987 1.00 0.00 ATOM 594 C THR 89 47.024 36.430 41.696 1.00 0.00 ATOM 595 N VAL 90 47.879 35.414 41.709 1.00 0.00 ATOM 596 CA VAL 90 49.048 35.391 40.846 1.00 0.00 ATOM 597 CB VAL 90 50.264 34.765 41.553 1.00 0.00 ATOM 598 CG1 VAL 90 51.410 34.611 40.567 1.00 0.00 ATOM 599 CG2 VAL 90 50.699 35.643 42.720 1.00 0.00 ATOM 600 O VAL 90 47.815 33.699 39.670 1.00 0.00 ATOM 601 C VAL 90 48.704 34.552 39.621 1.00 0.00 ATOM 602 N THR 91 49.408 34.793 38.524 1.00 0.00 ATOM 603 CA THR 91 49.158 34.064 37.298 1.00 0.00 ATOM 604 CB THR 91 48.568 34.992 36.232 1.00 0.00 ATOM 605 CG2 THR 91 48.367 34.245 34.924 1.00 0.00 ATOM 606 OG1 THR 91 47.306 35.496 36.694 1.00 0.00 ATOM 607 O THR 91 51.488 34.076 36.763 1.00 0.00 ATOM 608 C THR 91 50.436 33.438 36.784 1.00 0.00 ATOM 609 N LEU 92 50.341 32.174 36.391 1.00 0.00 ATOM 610 CA LEU 92 51.486 31.438 35.877 1.00 0.00 ATOM 611 CB LEU 92 51.953 30.394 36.897 1.00 0.00 ATOM 612 CG LEU 92 52.450 30.905 38.254 1.00 0.00 ATOM 613 CD1 LEU 92 52.798 29.723 39.145 1.00 0.00 ATOM 614 CD2 LEU 92 53.669 31.795 38.057 1.00 0.00 ATOM 615 O LEU 92 49.876 30.545 34.348 1.00 0.00 ATOM 616 C LEU 92 51.064 30.741 34.593 1.00 0.00 ATOM 617 N TYR 93 52.036 30.356 33.777 1.00 0.00 ATOM 618 CA TYR 93 51.721 29.695 32.526 1.00 0.00 ATOM 619 CB TYR 93 51.964 30.650 31.354 1.00 0.00 ATOM 620 CG TYR 93 51.064 31.865 31.390 1.00 0.00 ATOM 621 CD1 TYR 93 51.484 33.061 31.974 1.00 0.00 ATOM 622 CD2 TYR 93 49.767 31.799 30.892 1.00 0.00 ATOM 623 CE1 TYR 93 50.627 34.160 32.061 1.00 0.00 ATOM 624 CE2 TYR 93 48.905 32.882 30.976 1.00 0.00 ATOM 625 CZ TYR 93 49.337 34.058 31.561 1.00 0.00 ATOM 626 OH TYR 93 48.457 35.112 31.664 1.00 0.00 ATOM 627 O TYR 93 53.523 28.151 32.903 1.00 0.00 ATOM 628 C TYR 93 52.476 28.397 32.308 1.00 0.00 ATOM 629 N ALA 94 51.903 27.558 31.458 1.00 0.00 ATOM 630 CA ALA 94 52.475 26.273 31.098 1.00 0.00 ATOM 631 CB ALA 94 52.054 25.207 32.099 1.00 0.00 ATOM 632 O ALA 94 50.878 26.519 29.338 1.00 0.00 ATOM 633 C ALA 94 51.909 25.965 29.720 1.00 0.00 ATOM 634 N LYS 95 52.578 25.093 28.976 1.00 0.00 ATOM 635 CA LYS 95 52.137 24.736 27.630 1.00 0.00 ATOM 636 CB LYS 95 52.708 23.371 27.233 1.00 0.00 ATOM 637 CG LYS 95 54.221 23.370 27.044 1.00 0.00 ATOM 638 CD LYS 95 54.736 22.013 26.583 1.00 0.00 ATOM 639 CE LYS 95 56.247 22.037 26.385 1.00 0.00 ATOM 640 NZ LYS 95 56.790 20.719 25.944 1.00 0.00 ATOM 641 O LYS 95 49.941 23.776 27.838 1.00 0.00 ATOM 642 C LYS 95 50.621 24.731 27.457 1.00 0.00 ATOM 643 N GLY 96 50.104 25.814 26.886 1.00 0.00 ATOM 644 CA GLY 96 48.678 25.937 26.641 1.00 0.00 ATOM 645 O GLY 96 46.595 25.767 27.798 1.00 0.00 ATOM 646 C GLY 96 47.807 25.977 27.879 1.00 0.00 ATOM 647 N LEU 97 48.408 26.261 29.030 1.00 0.00 ATOM 648 CA LEU 97 47.641 26.304 30.268 1.00 0.00 ATOM 649 CB LEU 97 47.991 25.102 31.155 1.00 0.00 ATOM 650 CG LEU 97 47.714 23.694 30.629 1.00 0.00 ATOM 651 CD1 LEU 97 48.437 22.671 31.512 1.00 0.00 ATOM 652 CD2 LEU 97 46.216 23.433 30.611 1.00 0.00 ATOM 653 O LEU 97 48.935 28.150 31.082 1.00 0.00 ATOM 654 C LEU 97 47.853 27.575 31.071 1.00 0.00 ATOM 655 N THR 98 46.795 27.995 31.746 1.00 0.00 ATOM 656 CA THR 98 46.831 29.167 32.601 1.00 0.00 ATOM 657 CB THR 98 45.704 30.148 32.256 1.00 0.00 ATOM 658 CG2 THR 98 45.714 31.328 33.221 1.00 0.00 ATOM 659 OG1 THR 98 45.871 30.614 30.909 1.00 0.00 ATOM 660 O THR 98 45.718 27.863 34.286 1.00 0.00 ATOM 661 C THR 98 46.620 28.666 34.025 1.00 0.00 ATOM 662 N CYS 99 47.462 29.125 34.937 1.00 0.00 ATOM 663 CA CYS 99 47.354 28.728 36.330 1.00 0.00 ATOM 664 CB CYS 99 48.614 27.983 36.783 1.00 0.00 ATOM 665 SG CYS 99 48.699 27.782 38.592 1.00 0.00 ATOM 666 O CYS 99 47.969 30.858 37.226 1.00 0.00 ATOM 667 C CYS 99 47.150 29.948 37.217 1.00 0.00 ATOM 668 N LYS 100 46.047 29.961 37.951 1.00 0.00 ATOM 669 CA LYS 100 45.757 31.046 38.872 1.00 0.00 ATOM 670 CB LYS 100 44.315 31.530 38.699 1.00 0.00 ATOM 671 CG LYS 100 44.026 32.171 37.353 1.00 0.00 ATOM 672 CD LYS 100 44.744 33.503 37.203 1.00 0.00 ATOM 673 CE LYS 100 44.271 34.227 35.947 1.00 0.00 ATOM 674 NZ LYS 100 42.778 34.274 35.898 1.00 0.00 ATOM 675 O LYS 100 45.564 29.300 40.500 1.00 0.00 ATOM 676 C LYS 100 45.928 30.462 40.266 1.00 0.00 ATOM 677 N ALA 101 46.476 31.262 41.183 1.00 0.00 ATOM 678 CA ALA 101 46.689 30.832 42.558 1.00 0.00 ATOM 679 CB ALA 101 48.063 30.200 42.694 1.00 0.00 ATOM 680 O ALA 101 46.936 33.141 43.212 1.00 0.00 ATOM 681 C ALA 101 46.546 32.010 43.525 1.00 0.00 ATOM 682 N ASP 102 45.993 31.741 44.702 1.00 0.00 ATOM 683 CA ASP 102 45.782 32.788 45.710 1.00 0.00 ATOM 684 CB ASP 102 44.466 33.521 45.412 1.00 0.00 ATOM 685 CG ASP 102 44.374 34.886 46.083 1.00 0.00 ATOM 686 OD1 ASP 102 44.833 35.051 47.238 1.00 0.00 ATOM 687 OD2 ASP 102 43.810 35.797 45.439 1.00 0.00 ATOM 688 O ASP 102 45.103 31.034 47.200 1.00 0.00 ATOM 689 C ASP 102 45.673 32.128 47.084 1.00 0.00 ATOM 690 N THR 103 46.216 32.773 48.116 1.00 0.00 ATOM 691 CA THR 103 46.106 32.223 49.470 1.00 0.00 ATOM 692 CB THR 103 47.085 32.880 50.472 1.00 0.00 ATOM 693 CG2 THR 103 48.519 32.725 50.020 1.00 0.00 ATOM 694 OG1 THR 103 46.767 34.273 50.600 1.00 0.00 ATOM 695 O THR 103 44.189 31.968 50.882 1.00 0.00 ATOM 696 C THR 103 44.712 32.574 49.952 1.00 0.00 ATOM 697 N LEU 104 44.117 33.566 49.296 1.00 0.00 ATOM 698 CA LEU 104 42.800 34.076 49.661 1.00 0.00 ATOM 699 CB LEU 104 41.721 33.010 49.481 1.00 0.00 ATOM 700 CG LEU 104 41.432 32.559 48.043 1.00 0.00 ATOM 701 CD1 LEU 104 40.262 31.565 48.028 1.00 0.00 ATOM 702 CD2 LEU 104 41.083 33.777 47.194 1.00 0.00 ATOM 703 O LEU 104 41.824 34.538 51.810 1.00 0.00 ATOM 704 C LEU 104 42.836 34.553 51.112 1.00 0.00 ATOM 705 N SER 105 44.023 34.967 51.553 1.00 0.00 ATOM 706 CA SER 105 44.228 35.464 52.908 1.00 0.00 ATOM 707 CB SER 105 43.390 36.732 53.108 1.00 0.00 ATOM 708 OG SER 105 43.965 37.575 54.088 1.00 0.00 ATOM 709 O SER 105 43.431 34.722 55.055 1.00 0.00 ATOM 710 C SER 105 43.843 34.400 53.941 1.00 0.00 ATOM 711 N SER 106 44.006 33.132 53.570 1.00 0.00 ATOM 712 CA SER 106 43.635 32.014 54.438 1.00 0.00 ATOM 713 CB SER 106 43.348 30.772 53.587 1.00 0.00 ATOM 714 OG SER 106 44.544 30.300 52.990 1.00 0.00 ATOM 715 O SER 106 44.204 30.879 56.455 1.00 0.00 ATOM 716 C SER 106 44.600 31.607 55.549 1.00 0.00 ATOM 717 N CYS 107 45.852 32.053 55.486 1.00 0.00 ATOM 718 CA CYS 107 46.837 31.675 56.503 1.00 0.00 ATOM 719 CB CYS 107 46.586 32.425 57.822 1.00 0.00 ATOM 720 SG CYS 107 46.869 34.222 57.773 1.00 0.00 ATOM 721 O CYS 107 46.619 29.720 57.896 1.00 0.00 ATOM 722 C CYS 107 46.737 30.166 56.752 1.00 0.00 ATOM 723 N ASP 108 46.773 29.389 55.673 1.00 0.00 ATOM 724 CA ASP 108 46.665 27.931 55.758 1.00 0.00 ATOM 725 CB ASP 108 45.295 27.518 56.318 1.00 0.00 ATOM 726 CG ASP 108 45.358 27.096 57.777 1.00 0.00 ATOM 727 OD1 ASP 108 46.419 26.604 58.208 1.00 0.00 ATOM 728 OD2 ASP 108 44.339 27.239 58.485 1.00 0.00 ATOM 729 O ASP 108 47.379 26.171 54.290 1.00 0.00 ATOM 730 C ASP 108 46.826 27.271 54.395 1.00 0.00 ATOM 731 N TYR 109 46.342 27.940 53.351 1.00 0.00 ATOM 732 CA TYR 109 46.420 27.359 52.024 1.00 0.00 ATOM 733 CB TYR 109 45.089 26.688 51.649 1.00 0.00 ATOM 734 CG TYR 109 44.326 26.027 52.770 1.00 0.00 ATOM 735 CD1 TYR 109 43.262 26.683 53.390 1.00 0.00 ATOM 736 CD2 TYR 109 44.638 24.731 53.184 1.00 0.00 ATOM 737 CE1 TYR 109 42.522 26.066 54.395 1.00 0.00 ATOM 738 CE2 TYR 109 43.904 24.099 54.190 1.00 0.00 ATOM 739 CZ TYR 109 42.850 24.770 54.790 1.00 0.00 ATOM 740 OH TYR 109 42.121 24.166 55.786 1.00 0.00 ATOM 741 O TYR 109 46.840 29.522 51.051 1.00 0.00 ATOM 742 C TYR 109 46.737 28.306 50.888 1.00 0.00 ATOM 743 N VAL 110 46.878 27.689 49.721 1.00 0.00 ATOM 744 CA VAL 110 47.075 28.376 48.461 1.00 0.00 ATOM 745 CB VAL 110 48.501 28.211 47.897 1.00 0.00 ATOM 746 CG1 VAL 110 48.530 28.625 46.424 1.00 0.00 ATOM 747 CG2 VAL 110 49.468 29.083 48.681 1.00 0.00 ATOM 748 O VAL 110 46.181 26.390 47.414 1.00 0.00 ATOM 749 C VAL 110 46.076 27.620 47.589 1.00 0.00 ATOM 750 N TYR 111 45.070 28.340 47.103 1.00 0.00 ATOM 751 CA TYR 111 44.061 27.745 46.249 1.00 0.00 ATOM 752 CB TYR 111 42.701 28.417 46.442 1.00 0.00 ATOM 753 CG TYR 111 42.094 28.259 47.814 1.00 0.00 ATOM 754 CD1 TYR 111 42.496 29.075 48.879 1.00 0.00 ATOM 755 CD2 TYR 111 41.093 27.309 48.049 1.00 0.00 ATOM 756 CE1 TYR 111 41.910 28.950 50.138 1.00 0.00 ATOM 757 CE2 TYR 111 40.504 27.178 49.308 1.00 0.00 ATOM 758 CZ TYR 111 40.920 28.004 50.341 1.00 0.00 ATOM 759 OH TYR 111 40.341 27.881 51.578 1.00 0.00 ATOM 760 O TYR 111 45.008 29.028 44.460 1.00 0.00 ATOM 761 C TYR 111 44.508 27.953 44.810 1.00 0.00 ATOM 762 N LEU 112 44.337 26.934 43.975 1.00 0.00 ATOM 763 CA LEU 112 44.735 27.086 42.590 1.00 0.00 ATOM 764 CB LEU 112 46.096 26.411 42.336 1.00 0.00 ATOM 765 CG LEU 112 46.228 24.888 42.392 1.00 0.00 ATOM 766 CD1 LEU 112 45.657 24.268 41.117 1.00 0.00 ATOM 767 CD2 LEU 112 47.701 24.514 42.513 1.00 0.00 ATOM 768 O LEU 112 42.870 25.717 41.912 1.00 0.00 ATOM 769 C LEU 112 43.709 26.576 41.602 1.00 0.00 ATOM 770 N ALA 113 43.778 27.138 40.406 1.00 0.00 ATOM 771 CA ALA 113 42.900 26.749 39.327 1.00 0.00 ATOM 772 CB ALA 113 41.759 27.765 39.165 1.00 0.00 ATOM 773 O ALA 113 44.486 27.711 37.825 1.00 0.00 ATOM 774 C ALA 113 43.782 26.736 38.093 1.00 0.00 ATOM 775 N VAL 114 43.769 25.621 37.368 1.00 0.00 ATOM 776 CA VAL 114 44.555 25.489 36.148 1.00 0.00 ATOM 777 CB VAL 114 45.640 24.384 36.263 1.00 0.00 ATOM 778 CG1 VAL 114 46.526 24.401 35.010 1.00 0.00 ATOM 779 CG2 VAL 114 46.473 24.584 37.523 1.00 0.00 ATOM 780 O VAL 114 42.847 24.127 35.184 1.00 0.00 ATOM 781 C VAL 114 43.591 25.091 35.036 1.00 0.00 ATOM 782 N TYR 115 43.598 25.835 33.933 1.00 0.00 ATOM 783 CA TYR 115 42.711 25.532 32.814 1.00 0.00 ATOM 784 CB TYR 115 41.406 26.325 32.941 1.00 0.00 ATOM 785 CG TYR 115 41.605 27.797 33.222 1.00 0.00 ATOM 786 CD1 TYR 115 41.592 28.280 34.534 1.00 0.00 ATOM 787 CD2 TYR 115 41.800 28.712 32.179 1.00 0.00 ATOM 788 CE1 TYR 115 41.766 29.633 34.804 1.00 0.00 ATOM 789 CE2 TYR 115 41.970 30.075 32.437 1.00 0.00 ATOM 790 CZ TYR 115 41.952 30.525 33.754 1.00 0.00 ATOM 791 OH TYR 115 42.115 31.862 34.031 1.00 0.00 ATOM 792 O TYR 115 44.409 26.507 31.411 1.00 0.00 ATOM 793 C TYR 115 43.377 25.835 31.469 1.00 0.00 ATOM 794 N PRO 116 42.807 25.320 30.364 1.00 0.00 ATOM 795 CA PRO 116 43.404 25.582 29.049 1.00 0.00 ATOM 796 CB PRO 116 42.535 24.760 28.093 1.00 0.00 ATOM 797 CG PRO 116 41.969 23.669 28.982 1.00 0.00 ATOM 798 CD PRO 116 41.638 24.433 30.241 1.00 0.00 ATOM 799 O PRO 116 42.232 27.659 28.966 1.00 0.00 ATOM 800 C PRO 116 43.294 27.067 28.769 1.00 0.00 ATOM 801 N THR 117 44.383 27.680 28.335 1.00 0.00 ATOM 802 CA THR 117 44.345 29.104 28.039 1.00 0.00 ATOM 803 CB THR 117 45.674 29.590 27.465 1.00 0.00 ATOM 804 CG2 THR 117 45.625 31.090 27.217 1.00 0.00 ATOM 805 OG1 THR 117 46.718 29.305 28.399 1.00 0.00 ATOM 806 O THR 117 43.246 28.748 25.947 1.00 0.00 ATOM 807 C THR 117 43.246 29.344 27.015 1.00 0.00 ATOM 808 N PRO 118 42.288 30.219 27.339 1.00 0.00 ATOM 809 CA PRO 118 41.197 30.495 26.407 1.00 0.00 ATOM 810 CB PRO 118 40.359 31.522 27.158 1.00 0.00 ATOM 811 CG PRO 118 41.388 32.274 27.928 1.00 0.00 ATOM 812 CD PRO 118 42.259 31.161 28.469 1.00 0.00 ATOM 813 O PRO 118 42.644 31.798 25.007 1.00 0.00 ATOM 814 C PRO 118 41.696 31.020 25.072 1.00 0.00 ATOM 815 N GLU 119 41.064 30.567 24.003 1.00 0.00 ATOM 816 CA GLU 119 41.432 31.014 22.675 1.00 0.00 ATOM 817 CB GLU 119 41.116 29.920 21.652 1.00 0.00 ATOM 818 CG GLU 119 41.844 28.604 21.912 1.00 0.00 ATOM 819 CD GLU 119 41.391 27.483 20.990 1.00 0.00 ATOM 820 OE1 GLU 119 40.211 27.075 21.079 1.00 0.00 ATOM 821 OE2 GLU 119 42.215 27.009 20.175 1.00 0.00 ATOM 822 O GLU 119 39.448 32.350 22.791 1.00 0.00 ATOM 823 C GLU 119 40.606 32.264 22.388 1.00 0.00 ATOM 824 N MET 120 41.212 33.248 21.736 1.00 0.00 ATOM 825 CA MET 120 40.492 34.464 21.379 1.00 0.00 ATOM 826 CB MET 120 41.446 35.662 21.332 1.00 0.00 ATOM 827 CG MET 120 42.048 36.023 22.678 1.00 0.00 ATOM 828 SD MET 120 43.180 37.595 22.619 1.00 0.00 ATOM 829 CE MET 120 44.829 36.746 22.075 1.00 0.00 ATOM 830 O MET 120 40.528 34.475 18.973 1.00 0.00 ATOM 831 C MET 120 39.911 34.176 19.997 1.00 0.00 ATOM 832 N LYS 121 38.726 33.579 19.982 1.00 0.00 ATOM 833 CA LYS 121 38.064 33.201 18.739 1.00 0.00 ATOM 834 CB LYS 121 36.775 32.437 19.053 1.00 0.00 ATOM 835 CG LYS 121 37.013 31.127 19.796 1.00 0.00 ATOM 836 CD LYS 121 35.702 30.445 20.157 1.00 0.00 ATOM 837 CE LYS 121 35.938 29.135 20.895 1.00 0.00 ATOM 838 NZ LYS 121 34.655 28.470 21.280 1.00 0.00 ATOM 839 O LYS 121 37.788 34.131 16.552 1.00 0.00 ATOM 840 C LYS 121 37.773 34.339 17.761 1.00 0.00 ATOM 841 N ASN 122 37.515 35.537 18.268 1.00 0.00 ATOM 842 CA ASN 122 37.238 36.659 17.375 1.00 0.00 ATOM 843 CB ASN 122 36.525 37.773 18.134 1.00 0.00 ATOM 844 CG ASN 122 35.150 37.357 18.588 1.00 0.00 ATOM 845 ND2 ASN 122 34.703 37.885 19.718 1.00 0.00 ATOM 846 OD1 ASN 122 34.486 36.568 17.913 1.00 0.00 ATOM 847 O ASN 122 38.366 37.891 15.649 1.00 0.00 ATOM 848 C ASN 122 38.478 37.213 16.674 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1236465580.pdb -s /var/tmp/to_scwrl_1236465580.seq -o /var/tmp/from_scwrl_1236465580.pdb > /var/tmp/scwrl_1236465580.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1236465580.pdb # conformation set from SCWRL output # command:# naming current conformation model1-scwrl # command:# ReadConformPDB reading from PDB file model2.ts-submitted looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -18.458 # GDT_score(maxd=8.000,maxw=2.900)= -16.649 # GDT_score(maxd=8.000,maxw=3.200)= -16.021 # GDT_score(maxd=8.000,maxw=3.500)= -15.424 # GDT_score(maxd=10.000,maxw=3.800)= -17.753 # GDT_score(maxd=10.000,maxw=4.000)= -17.286 # GDT_score(maxd=10.000,maxw=4.200)= -16.863 # GDT_score(maxd=12.000,maxw=4.300)= -19.608 # GDT_score(maxd=12.000,maxw=4.500)= -19.111 # GDT_score(maxd=12.000,maxw=4.700)= -18.655 # GDT_score(maxd=14.000,maxw=5.200)= -20.239 # GDT_score(maxd=14.000,maxw=5.500)= -19.589 # command:# request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_273698390.pdb -s /var/tmp/to_scwrl_273698390.seq -o /var/tmp/from_scwrl_273698390.pdb > /var/tmp/scwrl_273698390.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_273698390.pdb # conformation set from SCWRL output # command:# naming current conformation model2-scwrl # command:# ReadConformPDB reading from PDB file model3.ts-submitted looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -25.701 # GDT_score(maxd=8.000,maxw=2.900)= -25.724 # GDT_score(maxd=8.000,maxw=3.200)= -24.598 # GDT_score(maxd=8.000,maxw=3.500)= -23.469 # GDT_score(maxd=10.000,maxw=3.800)= -25.009 # GDT_score(maxd=10.000,maxw=4.000)= -24.275 # GDT_score(maxd=10.000,maxw=4.200)= -23.519 # GDT_score(maxd=12.000,maxw=4.300)= -25.390 # GDT_score(maxd=12.000,maxw=4.500)= -24.635 # GDT_score(maxd=12.000,maxw=4.700)= -23.945 # GDT_score(maxd=14.000,maxw=5.200)= -24.419 # GDT_score(maxd=14.000,maxw=5.500)= -23.495 # command:# request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1702013485.pdb -s /var/tmp/to_scwrl_1702013485.seq -o /var/tmp/from_scwrl_1702013485.pdb > /var/tmp/scwrl_1702013485.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1702013485.pdb # conformation set from SCWRL output # command:# naming current conformation model3-scwrl # command:# ReadConformPDB reading from PDB file model4.ts-submitted looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -16.822 # GDT_score(maxd=8.000,maxw=2.900)= -14.038 # GDT_score(maxd=8.000,maxw=3.200)= -13.510 # GDT_score(maxd=8.000,maxw=3.500)= -13.073 # GDT_score(maxd=10.000,maxw=3.800)= -15.706 # GDT_score(maxd=10.000,maxw=4.000)= -15.342 # GDT_score(maxd=10.000,maxw=4.200)= -14.981 # GDT_score(maxd=12.000,maxw=4.300)= -17.730 # GDT_score(maxd=12.000,maxw=4.500)= -17.279 # GDT_score(maxd=12.000,maxw=4.700)= -16.862 # GDT_score(maxd=14.000,maxw=5.200)= -18.496 # GDT_score(maxd=14.000,maxw=5.500)= -17.844 # command:# request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1632896399.pdb -s /var/tmp/to_scwrl_1632896399.seq -o /var/tmp/from_scwrl_1632896399.pdb > /var/tmp/scwrl_1632896399.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1632896399.pdb # conformation set from SCWRL output # command:# naming current conformation model4-scwrl # command:# ReadConformPDB reading from PDB file model5.ts-submitted looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -25.000 # GDT_score(maxd=8.000,maxw=2.900)= -23.809 # GDT_score(maxd=8.000,maxw=3.200)= -22.416 # GDT_score(maxd=8.000,maxw=3.500)= -21.115 # GDT_score(maxd=10.000,maxw=3.800)= -24.031 # GDT_score(maxd=10.000,maxw=4.000)= -23.157 # GDT_score(maxd=10.000,maxw=4.200)= -22.365 # GDT_score(maxd=12.000,maxw=4.300)= -25.418 # GDT_score(maxd=12.000,maxw=4.500)= -24.579 # GDT_score(maxd=12.000,maxw=4.700)= -23.812 # GDT_score(maxd=14.000,maxw=5.200)= -24.828 # GDT_score(maxd=14.000,maxw=5.500)= -23.782 # command:# request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1734996222.pdb -s /var/tmp/to_scwrl_1734996222.seq -o /var/tmp/from_scwrl_1734996222.pdb > /var/tmp/scwrl_1734996222.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1734996222.pdb # conformation set from SCWRL output # command:# naming current conformation model5-scwrl # command:# Prefix for input files set to decoys/ # command:# ReadConformPDB reading from PDB file T0304.try1-opt2.pdb looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -16.121 # GDT_score(maxd=8.000,maxw=2.900)= -14.887 # GDT_score(maxd=8.000,maxw=3.200)= -14.192 # GDT_score(maxd=8.000,maxw=3.500)= -13.617 # GDT_score(maxd=10.000,maxw=3.800)= -15.405 # GDT_score(maxd=10.000,maxw=4.000)= -15.008 # GDT_score(maxd=10.000,maxw=4.200)= -14.640 # GDT_score(maxd=12.000,maxw=4.300)= -16.701 # GDT_score(maxd=12.000,maxw=4.500)= -16.274 # GDT_score(maxd=12.000,maxw=4.700)= -15.860 # GDT_score(maxd=14.000,maxw=5.200)= -17.010 # GDT_score(maxd=14.000,maxw=5.500)= -16.435 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0304.try1-real.pdb for output Error: Couldn't open file T0304.try1-real.pdb for output superimposing iter= 0 total_weight= 1276 rmsd (weighted)= 16.6477 (unweighted)= 26.6568 superimposing iter= 1 total_weight= 1857.21 rmsd (weighted)= 11.0752 (unweighted)= 26.5701 superimposing iter= 2 total_weight= 1003 rmsd (weighted)= 10.0918 (unweighted)= 26.4396 superimposing iter= 3 total_weight= 900.242 rmsd (weighted)= 9.71475 (unweighted)= 26.2962 superimposing iter= 4 total_weight= 881.797 rmsd (weighted)= 9.45008 (unweighted)= 26.1401 superimposing iter= 5 total_weight= 868.355 rmsd (weighted)= 9.25778 (unweighted)= 25.9675 EXPDTA T0304.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0304.try1-opt2.pdb ATOM 1 N MET A 1 53.412 12.644 41.997 1.00 0.00 ATOM 2 CA MET A 1 54.468 12.604 43.055 1.00 0.00 ATOM 3 CB MET A 1 55.755 11.975 42.500 1.00 0.00 ATOM 4 CG MET A 1 56.415 12.763 41.369 1.00 0.00 ATOM 5 SD MET A 1 55.418 12.854 39.864 1.00 0.00 ATOM 6 CE MET A 1 55.969 11.374 38.997 1.00 0.00 ATOM 7 O MET A 1 54.990 14.947 42.848 1.00 0.00 ATOM 8 C MET A 1 54.780 13.992 43.605 1.00 0.00 ATOM 9 N SER A 2 54.809 14.090 44.937 1.00 0.00 ATOM 10 CA SER A 2 55.084 15.348 45.604 1.00 0.00 ATOM 11 CB SER A 2 54.770 15.250 47.103 1.00 0.00 ATOM 12 OG SER A 2 55.612 14.307 47.745 1.00 0.00 ATOM 13 O SER A 2 56.735 17.044 45.252 1.00 0.00 ATOM 14 C SER A 2 56.494 15.851 45.318 1.00 0.00 ATOM 15 N ASP A 3 57.429 14.917 45.128 1.00 0.00 ATOM 16 CA ASP A 3 58.817 15.312 44.860 1.00 0.00 ATOM 17 CB ASP A 3 59.597 13.877 44.941 1.00 0.00 ATOM 18 CG ASP A 3 59.594 13.313 46.347 1.00 0.00 ATOM 19 OD1 ASP A 3 59.215 14.050 47.288 1.00 0.00 ATOM 20 OD2 ASP A 3 59.981 12.135 46.503 1.00 0.00 ATOM 21 O ASP A 3 60.034 16.561 43.233 1.00 0.00 ATOM 22 C ASP A 3 58.987 15.949 43.492 1.00 0.00 ATOM 23 N THR A 4 57.911 15.910 42.518 1.00 0.00 ATOM 24 CA THR A 4 57.961 16.535 41.195 1.00 0.00 ATOM 25 CB THR A 4 57.680 15.537 40.080 1.00 0.00 ATOM 26 CG2 THR A 4 57.628 16.265 38.757 1.00 0.00 ATOM 27 OG1 THR A 4 58.738 14.579 40.060 1.00 0.00 ATOM 28 O THR A 4 57.236 18.749 40.674 1.00 0.00 ATOM 29 C THR A 4 56.959 17.680 41.201 1.00 0.00 ATOM 30 N LEU A 5 55.774 17.445 41.750 1.00 0.00 ATOM 31 CA LEU A 5 54.687 18.424 41.698 1.00 0.00 ATOM 32 CB LEU A 5 53.448 17.786 41.074 1.00 0.00 ATOM 33 CG LEU A 5 53.691 17.210 39.673 1.00 0.00 ATOM 34 CD1 LEU A 5 52.411 16.573 39.153 1.00 0.00 ATOM 35 CD2 LEU A 5 54.158 18.313 38.732 1.00 0.00 ATOM 36 O LEU A 5 54.161 18.087 44.012 1.00 0.00 ATOM 37 C LEU A 5 54.404 18.896 43.119 1.00 0.00 ATOM 38 N PRO A 6 54.361 20.229 43.290 1.00 0.00 ATOM 39 CA PRO A 6 54.182 20.746 44.658 1.00 0.00 ATOM 40 CB PRO A 6 54.555 22.226 44.548 1.00 0.00 ATOM 41 CG PRO A 6 54.313 22.567 43.116 1.00 0.00 ATOM 42 CD PRO A 6 54.668 21.336 42.329 1.00 0.00 ATOM 43 O PRO A 6 52.567 20.657 46.366 1.00 0.00 ATOM 44 C PRO A 6 52.748 20.579 45.147 1.00 0.00 ATOM 45 N GLY A 7 51.737 20.231 44.224 1.00 0.00 ATOM 46 CA GLY A 7 50.344 20.008 44.661 1.00 0.00 ATOM 47 O GLY A 7 49.949 18.199 43.182 1.00 0.00 ATOM 48 C GLY A 7 50.019 18.555 44.358 1.00 0.00 ATOM 49 N THR A 8 49.895 17.738 45.395 1.00 0.00 ATOM 50 CA THR A 8 49.642 16.291 45.192 1.00 0.00 ATOM 51 CB THR A 8 50.841 15.440 45.650 1.00 0.00 ATOM 52 CG2 THR A 8 50.586 13.966 45.371 1.00 0.00 ATOM 53 OG1 THR A 8 52.019 15.850 44.943 1.00 0.00 ATOM 54 O THR A 8 48.594 16.059 47.265 1.00 0.00 ATOM 55 C THR A 8 48.411 16.031 46.044 1.00 0.00 ATOM 56 N THR A 9 47.250 15.907 45.452 1.00 0.00 ATOM 57 CA THR A 9 46.015 15.817 46.207 1.00 0.00 ATOM 58 CB THR A 9 45.028 16.927 45.800 1.00 0.00 ATOM 59 CG2 THR A 9 43.739 16.812 46.598 1.00 0.00 ATOM 60 OG1 THR A 9 45.617 18.209 46.050 1.00 0.00 ATOM 61 O THR A 9 45.052 14.132 44.828 1.00 0.00 ATOM 62 C THR A 9 45.309 14.477 45.979 1.00 0.00 ATOM 63 N LEU A 10 45.003 13.783 47.071 1.00 0.00 ATOM 64 CA LEU A 10 44.317 12.501 46.945 1.00 0.00 ATOM 65 CB LEU A 10 44.417 11.712 48.251 1.00 0.00 ATOM 66 CG LEU A 10 43.857 10.289 48.229 1.00 0.00 ATOM 67 CD1 LEU A 10 44.665 9.407 47.289 1.00 0.00 ATOM 68 CD2 LEU A 10 43.903 9.669 49.618 1.00 0.00 ATOM 69 O LEU A 10 42.320 13.786 47.189 1.00 0.00 ATOM 70 C LEU A 10 42.861 12.820 46.620 1.00 0.00 ATOM 71 N PRO A 11 42.138 11.948 45.777 1.00 0.00 ATOM 72 CA PRO A 11 40.714 12.152 45.508 1.00 0.00 ATOM 73 CB PRO A 11 40.692 13.042 44.312 1.00 0.00 ATOM 74 CG PRO A 11 41.955 12.673 43.566 1.00 0.00 ATOM 75 CD PRO A 11 42.981 12.569 44.693 1.00 0.00 ATOM 76 O PRO A 11 40.807 9.831 44.842 1.00 0.00 ATOM 77 C PRO A 11 40.132 10.848 44.941 1.00 0.00 ATOM 78 N ASP A 12 38.848 10.951 44.520 1.00 0.00 ATOM 79 CA ASP A 12 38.159 9.782 43.953 1.00 0.00 ATOM 80 CB ASP A 12 36.723 10.036 43.612 1.00 0.00 ATOM 81 CG ASP A 12 35.833 9.946 44.845 1.00 0.00 ATOM 82 OD1 ASP A 12 36.107 9.096 45.722 1.00 0.00 ATOM 83 OD2 ASP A 12 34.849 10.708 44.926 1.00 0.00 ATOM 84 O ASP A 12 38.787 8.097 42.307 1.00 0.00 ATOM 85 C ASP A 12 38.729 9.313 42.588 1.00 0.00 ATOM 86 N ASP A 13 39.135 10.265 41.752 1.00 0.00 ATOM 87 CA ASP A 13 39.547 9.977 40.356 1.00 0.00 ATOM 88 CB ASP A 13 38.283 9.303 39.663 1.00 0.00 ATOM 89 CG ASP A 13 37.192 10.319 39.396 1.00 0.00 ATOM 90 OD1 ASP A 13 36.041 9.899 39.209 1.00 0.00 ATOM 91 OD2 ASP A 13 37.454 11.538 39.352 1.00 0.00 ATOM 92 O ASP A 13 40.551 12.089 39.952 1.00 0.00 ATOM 93 C ASP A 13 40.700 10.867 40.008 1.00 0.00 ATOM 94 N ASN A 14 36.919 14.230 43.379 1.00 0.00 ATOM 95 CA ASN A 14 36.509 14.788 44.661 1.00 0.00 ATOM 96 CB ASN A 14 35.316 14.014 45.225 1.00 0.00 ATOM 97 CG ASN A 14 34.060 14.191 44.395 1.00 0.00 ATOM 98 ND2 ASN A 14 33.195 13.185 44.412 1.00 0.00 ATOM 99 OD1 ASN A 14 33.874 15.222 43.748 1.00 0.00 ATOM 100 O ASN A 14 38.178 13.555 45.769 1.00 0.00 ATOM 101 C ASN A 14 37.703 14.669 45.588 1.00 0.00 ATOM 102 N HIS A 15 38.181 15.744 46.223 1.00 0.00 ATOM 103 CA HIS A 15 39.365 15.626 47.079 1.00 0.00 ATOM 104 CB HIS A 15 39.944 17.007 47.388 1.00 0.00 ATOM 105 CG HIS A 15 40.573 17.678 46.206 1.00 0.00 ATOM 106 CD2 HIS A 15 40.901 17.286 44.844 1.00 0.00 ATOM 107 ND1 HIS A 15 41.008 18.984 46.237 1.00 0.00 ATOM 108 CE1 HIS A 15 41.523 19.302 45.035 1.00 0.00 ATOM 109 NE2 HIS A 15 41.462 18.287 44.194 1.00 0.00 ATOM 110 O HIS A 15 37.884 14.742 48.687 1.00 0.00 ATOM 111 C HIS A 15 39.060 14.956 48.416 1.00 0.00 ATOM 112 N ASP A 16 40.081 14.427 49.093 1.00 0.00 ATOM 113 CA ASP A 16 39.839 13.754 50.369 1.00 0.00 ATOM 114 CB ASP A 16 41.157 13.277 50.981 1.00 0.00 ATOM 115 CG ASP A 16 42.112 14.418 51.274 1.00 0.00 ATOM 116 OD1 ASP A 16 42.510 15.120 50.320 1.00 0.00 ATOM 117 OD2 ASP A 16 42.463 14.610 52.457 1.00 0.00 ATOM 118 O ASP A 16 38.594 14.056 52.360 1.00 0.00 ATOM 119 C ASP A 16 39.148 14.639 51.404 1.00 0.00 ATOM 120 N ARG A 17 39.134 15.961 51.255 1.00 0.00 ATOM 121 CA ARG A 17 38.459 16.808 52.240 1.00 0.00 ATOM 122 CB ARG A 17 38.781 18.281 51.985 1.00 0.00 ATOM 123 CG ARG A 17 40.252 18.632 52.144 1.00 0.00 ATOM 124 CD ARG A 17 40.664 18.641 53.606 1.00 0.00 ATOM 125 NE ARG A 17 42.084 18.936 53.773 1.00 0.00 ATOM 126 CZ ARG A 17 42.702 18.991 54.949 1.00 0.00 ATOM 127 NH1 ARG A 17 43.998 19.267 55.004 1.00 0.00 ATOM 128 NH2 ARG A 17 42.023 18.770 56.066 1.00 0.00 ATOM 129 O ARG A 17 36.155 17.097 52.890 1.00 0.00 ATOM 130 C ARG A 17 36.945 16.575 52.115 1.00 0.00 ATOM 131 N PRO A 18 36.273 15.902 51.086 1.00 0.00 ATOM 132 CA PRO A 18 34.863 15.636 50.863 1.00 0.00 ATOM 133 CB PRO A 18 34.744 14.742 52.392 1.00 0.00 ATOM 134 CG PRO A 18 35.154 15.933 53.210 1.00 0.00 ATOM 135 CD PRO A 18 36.002 16.823 52.332 1.00 0.00 ATOM 136 O PRO A 18 32.813 16.756 50.370 1.00 0.00 ATOM 137 C PRO A 18 34.057 16.800 50.323 1.00 0.00 ATOM 138 N TRP A 19 34.734 17.918 49.847 1.00 0.00 ATOM 139 CA TRP A 19 34.018 19.081 49.336 1.00 0.00 ATOM 140 CB TRP A 19 34.316 20.288 50.463 1.00 0.00 ATOM 141 CG TRP A 19 33.319 21.359 50.499 1.00 0.00 ATOM 142 CD1 TRP A 19 32.115 21.307 51.142 1.00 0.00 ATOM 143 CD2 TRP A 19 33.397 22.645 49.884 1.00 0.00 ATOM 144 CE2 TRP A 19 32.213 23.318 50.182 1.00 0.00 ATOM 145 CE3 TRP A 19 34.361 23.280 49.113 1.00 0.00 ATOM 146 NE1 TRP A 19 31.449 22.473 50.939 1.00 0.00 ATOM 147 CZ2 TRP A 19 31.959 24.617 49.741 1.00 0.00 ATOM 148 CZ3 TRP A 19 34.115 24.581 48.679 1.00 0.00 ATOM 149 CH2 TRP A 19 32.927 25.226 48.995 1.00 0.00 ATOM 150 O TRP A 19 34.032 20.423 47.339 1.00 0.00 ATOM 151 C TRP A 19 34.682 19.698 48.102 1.00 0.00 ATOM 152 N TRP A 20 35.892 19.582 47.906 1.00 0.00 ATOM 153 CA TRP A 20 36.604 20.152 46.768 1.00 0.00 ATOM 154 CB TRP A 20 38.106 20.299 47.016 1.00 0.00 ATOM 155 CG TRP A 20 38.448 21.372 48.003 1.00 0.00 ATOM 156 CD1 TRP A 20 38.784 21.202 49.316 1.00 0.00 ATOM 157 CD2 TRP A 20 38.490 22.783 47.757 1.00 0.00 ATOM 158 CE2 TRP A 20 38.857 23.406 48.967 1.00 0.00 ATOM 159 CE3 TRP A 20 38.252 23.580 46.633 1.00 0.00 ATOM 160 NE1 TRP A 20 39.031 22.419 49.904 1.00 0.00 ATOM 161 CZ2 TRP A 20 38.994 24.789 49.083 1.00 0.00 ATOM 162 CZ3 TRP A 20 38.388 24.950 46.753 1.00 0.00 ATOM 163 CH2 TRP A 20 38.754 25.544 47.966 1.00 0.00 ATOM 164 O TRP A 20 36.792 18.117 45.528 1.00 0.00 ATOM 165 C TRP A 20 36.438 19.292 45.535 1.00 0.00 ATOM 166 N GLY A 21 35.811 19.866 44.508 1.00 0.00 ATOM 167 CA GLY A 21 35.601 19.150 43.258 1.00 0.00 ATOM 168 O GLY A 21 36.951 20.822 42.163 1.00 0.00 ATOM 169 C GLY A 21 36.680 19.632 42.273 1.00 0.00 ATOM 170 N LEU A 22 37.374 18.654 41.549 1.00 0.00 ATOM 171 CA LEU A 22 38.496 18.971 40.616 1.00 0.00 ATOM 172 CB LEU A 22 39.852 18.625 41.248 1.00 0.00 ATOM 173 CG LEU A 22 41.065 19.095 40.442 1.00 0.00 ATOM 174 CD1 LEU A 22 41.175 20.609 40.535 1.00 0.00 ATOM 175 CD2 LEU A 22 42.331 18.439 40.980 1.00 0.00 ATOM 176 O LEU A 22 38.318 17.055 39.158 1.00 0.00 ATOM 177 C LEU A 22 38.344 18.282 39.247 1.00 0.00 ATOM 178 N PRO A 23 38.190 19.088 38.197 1.00 0.00 ATOM 179 CA PRO A 23 38.063 18.501 36.859 1.00 0.00 ATOM 180 CB PRO A 23 37.186 19.475 36.065 1.00 0.00 ATOM 181 CG PRO A 23 36.900 20.579 36.993 1.00 0.00 ATOM 182 CD PRO A 23 37.563 20.392 38.325 1.00 0.00 ATOM 183 O PRO A 23 40.257 19.199 36.276 1.00 0.00 ATOM 184 C PRO A 23 39.462 18.268 36.255 1.00 0.00 ATOM 185 N CYS A 24 39.769 17.100 35.744 1.00 0.00 ATOM 186 CA CYS A 24 41.082 16.769 35.226 1.00 0.00 ATOM 187 CB CYS A 24 41.788 15.777 36.154 1.00 0.00 ATOM 188 SG CYS A 24 43.435 15.278 35.598 1.00 0.00 ATOM 189 O CYS A 24 39.990 15.364 33.634 1.00 0.00 ATOM 190 C CYS A 24 40.930 16.136 33.837 1.00 0.00 ATOM 191 N THR A 25 41.829 16.506 32.923 1.00 0.00 ATOM 192 CA THR A 25 41.779 15.889 31.587 1.00 0.00 ATOM 193 CB THR A 25 41.829 16.950 30.473 1.00 0.00 ATOM 194 CG2 THR A 25 41.780 16.288 29.104 1.00 0.00 ATOM 195 OG1 THR A 25 40.709 17.836 30.601 1.00 0.00 ATOM 196 O THR A 25 44.109 15.401 31.718 1.00 0.00 ATOM 197 C THR A 25 43.008 15.007 31.372 1.00 0.00 ATOM 198 N VAL A 26 42.809 13.793 30.867 1.00 0.00 ATOM 199 CA VAL A 26 43.834 12.796 30.589 1.00 0.00 ATOM 200 CB VAL A 26 43.797 11.712 31.681 1.00 0.00 ATOM 201 CG1 VAL A 26 44.072 12.323 33.047 1.00 0.00 ATOM 202 CG2 VAL A 26 42.433 11.040 31.721 1.00 0.00 ATOM 203 O VAL A 26 42.444 12.260 28.699 1.00 0.00 ATOM 204 C VAL A 26 43.561 12.161 29.204 1.00 0.00 ATOM 205 N THR A 27 44.582 11.580 28.593 1.00 0.00 ATOM 206 CA THR A 27 44.310 10.922 27.307 1.00 0.00 ATOM 207 CB THR A 27 45.608 10.431 26.638 1.00 0.00 ATOM 208 CG2 THR A 27 46.564 11.591 26.413 1.00 0.00 ATOM 209 OG1 THR A 27 46.245 9.461 27.479 1.00 0.00 ATOM 210 O THR A 27 43.379 9.133 28.616 1.00 0.00 ATOM 211 C THR A 27 43.398 9.717 27.530 1.00 0.00 ATOM 212 N PRO A 28 42.681 9.303 26.478 1.00 0.00 ATOM 213 CA PRO A 28 41.793 8.148 26.615 1.00 0.00 ATOM 214 CB PRO A 28 41.169 7.995 25.227 1.00 0.00 ATOM 215 CG PRO A 28 41.185 9.373 24.656 1.00 0.00 ATOM 216 CD PRO A 28 42.475 9.996 25.108 1.00 0.00 ATOM 217 O PRO A 28 42.115 6.128 27.884 1.00 0.00 ATOM 218 C PRO A 28 42.557 6.903 27.015 1.00 0.00 ATOM 219 N CYS A 29 43.773 6.754 26.470 1.00 0.00 ATOM 220 CA CYS A 29 44.552 5.557 26.798 1.00 0.00 ATOM 221 CB CYS A 29 45.876 5.554 26.032 1.00 0.00 ATOM 222 SG CYS A 29 45.707 5.310 24.248 1.00 0.00 ATOM 223 O CYS A 29 44.867 4.468 28.949 1.00 0.00 ATOM 224 C CYS A 29 44.851 5.520 28.281 1.00 0.00 ATOM 225 N PHE A 30 45.107 6.740 28.941 1.00 0.00 ATOM 226 CA PHE A 30 45.388 6.790 30.366 1.00 0.00 ATOM 227 CB PHE A 30 45.894 8.179 30.763 1.00 0.00 ATOM 228 CG PHE A 30 47.250 8.513 30.210 1.00 0.00 ATOM 229 CD1 PHE A 30 48.080 7.516 29.729 1.00 0.00 ATOM 230 CD2 PHE A 30 47.692 9.824 30.168 1.00 0.00 ATOM 231 CE1 PHE A 30 49.328 7.823 29.218 1.00 0.00 ATOM 232 CE2 PHE A 30 48.940 10.131 29.658 1.00 0.00 ATOM 233 CZ PHE A 30 49.756 9.137 29.184 1.00 0.00 ATOM 234 O PHE A 30 44.232 5.616 32.130 1.00 0.00 ATOM 235 C PHE A 30 44.153 6.433 31.200 1.00 0.00 ATOM 236 N GLY A 31 43.006 7.053 30.889 1.00 0.00 ATOM 237 CA GLY A 31 41.779 6.776 31.616 1.00 0.00 ATOM 238 O GLY A 31 40.903 4.742 32.538 1.00 0.00 ATOM 239 C GLY A 31 41.355 5.322 31.544 1.00 0.00 ATOM 240 N ALA A 32 41.502 4.722 30.367 1.00 0.00 ATOM 241 CA ALA A 32 41.134 3.325 30.177 1.00 0.00 ATOM 242 CB ALA A 32 41.296 2.935 28.710 1.00 0.00 ATOM 243 O ALA A 32 41.496 1.399 31.566 1.00 0.00 ATOM 244 C ALA A 32 41.978 2.413 31.063 1.00 0.00 ATOM 245 N ARG A 33 43.243 2.772 31.251 1.00 0.00 ATOM 246 CA ARG A 33 44.127 1.965 32.079 1.00 0.00 ATOM 247 CB ARG A 33 45.566 2.483 31.995 1.00 0.00 ATOM 248 CG ARG A 33 46.499 1.813 32.994 1.00 0.00 ATOM 249 CD ARG A 33 47.910 2.377 32.943 1.00 0.00 ATOM 250 NE ARG A 33 48.720 1.872 34.050 1.00 0.00 ATOM 251 CZ ARG A 33 50.017 2.119 34.206 1.00 0.00 ATOM 252 NH1 ARG A 33 50.665 2.866 33.322 1.00 0.00 ATOM 253 NH2 ARG A 33 50.665 1.623 35.254 1.00 0.00 ATOM 254 O ARG A 33 43.646 0.855 34.149 1.00 0.00 ATOM 255 C ARG A 33 43.698 1.923 33.543 1.00 0.00 ATOM 256 N LEU A 34 43.426 3.083 34.126 1.00 0.00 ATOM 257 CA LEU A 34 43.046 3.159 35.530 1.00 0.00 ATOM 258 CB LEU A 34 43.346 4.549 36.093 1.00 0.00 ATOM 259 CG LEU A 34 44.803 5.013 36.010 1.00 0.00 ATOM 260 CD1 LEU A 34 44.950 6.422 36.565 1.00 0.00 ATOM 261 CD2 LEU A 34 45.707 4.091 36.811 1.00 0.00 ATOM 262 O LEU A 34 41.112 2.792 36.899 1.00 0.00 ATOM 263 C LEU A 34 41.557 2.890 35.744 1.00 0.00 ATOM 264 N VAL A 35 40.689 4.512 35.009 1.00 0.00 ATOM 265 CA VAL A 35 40.094 5.710 35.606 1.00 0.00 ATOM 266 CB VAL A 35 40.658 6.995 34.972 1.00 0.00 ATOM 267 CG1 VAL A 35 39.991 8.223 35.575 1.00 0.00 ATOM 268 CG2 VAL A 35 42.156 7.097 35.213 1.00 0.00 ATOM 269 O VAL A 35 38.017 6.506 34.647 1.00 0.00 ATOM 270 C VAL A 35 38.588 5.765 35.438 1.00 0.00 ATOM 271 N GLN A 36 37.932 4.922 36.215 1.00 0.00 ATOM 272 CA GLN A 36 36.497 4.762 36.210 1.00 0.00 ATOM 273 CB GLN A 36 36.120 3.297 35.980 1.00 0.00 ATOM 274 CG GLN A 36 36.660 2.713 34.684 1.00 0.00 ATOM 275 CD GLN A 36 36.084 3.389 33.457 1.00 0.00 ATOM 276 OE1 GLN A 36 34.868 3.532 33.328 1.00 0.00 ATOM 277 NE2 GLN A 36 36.958 3.810 32.549 1.00 0.00 ATOM 278 O GLN A 36 36.685 5.747 38.386 1.00 0.00 ATOM 279 C GLN A 36 35.932 5.301 37.522 1.00 0.00 ATOM 280 N GLU A 37 34.544 5.359 37.658 1.00 0.00 ATOM 281 CA GLU A 37 33.916 5.874 38.872 1.00 0.00 ATOM 282 CB GLU A 37 32.393 5.749 38.803 1.00 0.00 ATOM 283 CG GLU A 37 31.673 6.227 40.054 1.00 0.00 ATOM 284 CD GLU A 37 30.167 6.093 39.947 1.00 0.00 ATOM 285 OE1 GLU A 37 29.680 5.720 38.859 1.00 0.00 ATOM 286 OE2 GLU A 37 29.474 6.361 40.950 1.00 0.00 ATOM 287 O GLU A 37 34.340 3.813 40.082 1.00 0.00 ATOM 288 C GLU A 37 34.404 5.049 40.057 1.00 0.00 ATOM 289 N GLY A 38 34.876 5.748 41.093 1.00 0.00 ATOM 290 CA GLY A 38 35.313 5.143 42.333 1.00 0.00 ATOM 291 O GLY A 38 37.324 4.632 43.504 1.00 0.00 ATOM 292 C GLY A 38 36.823 4.908 42.422 1.00 0.00 ATOM 293 N ASN A 39 37.502 5.069 41.283 1.00 0.00 ATOM 294 CA ASN A 39 38.956 4.886 41.304 1.00 0.00 ATOM 295 CB ASN A 39 39.469 4.574 39.871 1.00 0.00 ATOM 296 CG ASN A 39 38.861 3.337 39.246 1.00 0.00 ATOM 297 ND2 ASN A 39 38.826 3.294 37.902 1.00 0.00 ATOM 298 OD1 ASN A 39 38.466 2.410 39.947 1.00 0.00 ATOM 299 O ASN A 39 39.518 7.167 41.804 1.00 0.00 ATOM 300 C ASN A 39 39.653 5.962 42.107 1.00 0.00 ATOM 301 N ARG A 40 40.380 5.551 43.139 1.00 0.00 ATOM 302 CA ARG A 40 41.192 6.469 43.918 1.00 0.00 ATOM 303 CB ARG A 40 41.669 5.799 45.207 1.00 0.00 ATOM 304 CG ARG A 40 40.554 5.486 46.193 1.00 0.00 ATOM 305 CD ARG A 40 41.094 4.805 47.439 1.00 0.00 ATOM 306 NE ARG A 40 41.588 3.459 47.158 1.00 0.00 ATOM 307 CZ ARG A 40 42.262 2.714 48.027 1.00 0.00 ATOM 308 NH1 ARG A 40 42.671 1.499 47.682 1.00 0.00 ATOM 309 NH2 ARG A 40 42.527 3.183 49.239 1.00 0.00 ATOM 310 O ARG A 40 43.124 6.076 42.605 1.00 0.00 ATOM 311 C ARG A 40 42.419 6.935 43.158 1.00 0.00 ATOM 312 N LEU A 41 42.750 8.222 43.173 1.00 0.00 ATOM 313 CA LEU A 41 43.909 8.690 42.406 1.00 0.00 ATOM 314 CB LEU A 41 43.466 9.307 41.059 1.00 0.00 ATOM 315 CG LEU A 41 42.726 8.365 40.106 1.00 0.00 ATOM 316 CD1 LEU A 41 42.315 9.103 38.811 1.00 0.00 ATOM 317 CD2 LEU A 41 43.563 7.118 39.708 1.00 0.00 ATOM 318 O LEU A 41 44.132 10.311 44.142 1.00 0.00 ATOM 319 C LEU A 41 44.649 9.797 43.156 1.00 0.00 ATOM 320 N HIS A 42 45.839 10.107 42.673 1.00 0.00 ATOM 321 CA HIS A 42 46.599 11.224 43.247 1.00 0.00 ATOM 322 CB HIS A 42 47.977 10.740 43.705 1.00 0.00 ATOM 323 CG HIS A 42 47.925 9.669 44.750 1.00 0.00 ATOM 324 CD2 HIS A 42 47.985 8.215 44.749 1.00 0.00 ATOM 325 ND1 HIS A 42 47.791 9.947 46.094 1.00 0.00 ATOM 326 CE1 HIS A 42 47.774 8.790 46.778 1.00 0.00 ATOM 327 NE2 HIS A 42 47.890 7.747 45.980 1.00 0.00 ATOM 328 O HIS A 42 47.107 11.917 40.988 1.00 0.00 ATOM 329 C HIS A 42 46.715 12.273 42.107 1.00 0.00 ATOM 330 N TYR A 43 46.261 13.493 42.357 1.00 0.00 ATOM 331 CA TYR A 43 46.322 14.541 41.323 1.00 0.00 ATOM 332 CB TYR A 43 45.439 15.615 41.612 1.00 0.00 ATOM 333 CG TYR A 43 44.191 15.270 40.844 1.00 0.00 ATOM 334 CD1 TYR A 43 42.980 15.086 41.507 1.00 0.00 ATOM 335 CD2 TYR A 43 44.222 15.098 39.458 1.00 0.00 ATOM 336 CE1 TYR A 43 41.819 14.747 40.808 1.00 0.00 ATOM 337 CE2 TYR A 43 43.067 14.764 38.747 1.00 0.00 ATOM 338 CZ TYR A 43 41.876 14.601 39.424 1.00 0.00 ATOM 339 OH TYR A 43 40.728 14.263 38.731 1.00 0.00 ATOM 340 O TYR A 43 47.927 15.884 42.558 1.00 0.00 ATOM 341 C TYR A 43 47.633 15.323 41.491 1.00 0.00 ATOM 342 N LEU A 44 48.423 15.402 40.406 1.00 0.00 ATOM 343 CA LEU A 44 49.679 16.132 40.415 1.00 0.00 ATOM 344 CB LEU A 44 50.769 15.255 39.795 1.00 0.00 ATOM 345 CG LEU A 44 50.991 13.888 40.447 1.00 0.00 ATOM 346 CD1 LEU A 44 51.998 13.072 39.653 1.00 0.00 ATOM 347 CD2 LEU A 44 51.520 14.048 41.864 1.00 0.00 ATOM 348 O LEU A 44 49.296 17.391 38.432 1.00 0.00 ATOM 349 C LEU A 44 49.549 17.451 39.629 1.00 0.00 ATOM 350 N ALA A 45 49.643 18.576 40.344 1.00 0.00 ATOM 351 CA ALA A 45 49.490 19.876 39.709 1.00 0.00 ATOM 352 CB ALA A 45 48.430 20.576 40.439 1.00 0.00 ATOM 353 O ALA A 45 50.919 21.153 41.120 1.00 0.00 ATOM 354 C ALA A 45 50.747 20.703 39.976 1.00 0.00 ATOM 355 N ASP A 46 51.602 20.807 38.980 1.00 0.00 ATOM 356 CA ASP A 46 52.863 21.552 39.167 1.00 0.00 ATOM 357 CB ASP A 46 53.723 21.477 37.905 1.00 0.00 ATOM 358 CG ASP A 46 55.050 22.193 38.060 1.00 0.00 ATOM 359 OD1 ASP A 46 55.906 21.699 38.822 1.00 0.00 ATOM 360 OD2 ASP A 46 55.233 23.251 37.419 1.00 0.00 ATOM 361 O ASP A 46 51.650 23.641 39.311 1.00 0.00 ATOM 362 C ASP A 46 52.660 22.999 39.621 1.00 0.00 ATOM 363 N ARG A 47 53.635 23.481 40.493 1.00 0.00 ATOM 364 CA ARG A 47 53.560 24.818 41.065 1.00 0.00 ATOM 365 CB ARG A 47 54.872 25.336 41.447 1.00 0.00 ATOM 366 CG ARG A 47 54.844 26.029 42.774 1.00 0.00 ATOM 367 CD ARG A 47 55.877 25.435 43.694 1.00 0.00 ATOM 368 NE ARG A 47 57.220 25.445 43.118 1.00 0.00 ATOM 369 CZ ARG A 47 58.221 24.704 43.585 1.00 0.00 ATOM 370 NH1 ARG A 47 58.023 23.906 44.625 1.00 0.00 ATOM 371 NH2 ARG A 47 59.418 24.752 43.016 1.00 0.00 ATOM 372 O ARG A 47 52.532 26.717 40.095 1.00 0.00 ATOM 373 C ARG A 47 53.404 25.836 39.955 1.00 0.00 ATOM 374 N ALA A 48 54.171 25.834 38.895 1.00 0.00 ATOM 375 CA ALA A 48 54.006 26.831 37.853 1.00 0.00 ATOM 376 CB ALA A 48 55.160 26.761 36.864 1.00 0.00 ATOM 377 O ALA A 48 52.275 27.740 36.470 1.00 0.00 ATOM 378 C ALA A 48 52.677 26.764 37.106 1.00 0.00 ATOM 379 N GLY A 49 51.968 25.567 37.145 1.00 0.00 ATOM 380 CA GLY A 49 50.703 25.422 36.440 1.00 0.00 ATOM 381 O GLY A 49 48.409 25.936 36.752 1.00 0.00 ATOM 382 C GLY A 49 49.558 26.064 37.193 1.00 0.00 ATOM 383 N ILE A 50 49.796 26.712 38.327 1.00 0.00 ATOM 384 CA ILE A 50 48.751 27.348 39.103 1.00 0.00 ATOM 385 CB ILE A 50 48.779 26.833 40.549 1.00 0.00 ATOM 386 CG1 ILE A 50 48.673 25.323 40.660 1.00 0.00 ATOM 387 CG2 ILE A 50 47.703 27.538 41.368 1.00 0.00 ATOM 388 CD1 ILE A 50 48.868 24.770 42.058 1.00 0.00 ATOM 389 O ILE A 50 49.995 29.357 39.340 1.00 0.00 ATOM 390 C ILE A 50 48.899 28.869 38.980 1.00 0.00 ATOM 391 N ARG A 51 47.862 29.575 38.574 1.00 0.00 ATOM 392 CA ARG A 51 47.893 31.025 38.543 1.00 0.00 ATOM 393 CB ARG A 51 47.102 31.556 37.346 1.00 0.00 ATOM 394 CG ARG A 51 47.681 31.164 35.995 1.00 0.00 ATOM 395 CD ARG A 51 46.915 31.816 34.856 1.00 0.00 ATOM 396 NE ARG A 51 47.396 31.372 33.550 1.00 0.00 ATOM 397 CZ ARG A 51 46.864 31.747 32.391 1.00 0.00 ATOM 398 NH1 ARG A 51 47.369 31.293 31.253 1.00 0.00 ATOM 399 NH2 ARG A 51 45.828 32.575 32.374 1.00 0.00 ATOM 400 O ARG A 51 46.089 31.058 40.113 1.00 0.00 ATOM 401 C ARG A 51 47.075 31.634 39.675 1.00 0.00 ATOM 402 N GLY A 52 47.454 32.750 40.426 1.00 0.00 ATOM 403 CA GLY A 52 46.785 33.333 41.575 1.00 0.00 ATOM 404 O GLY A 52 46.986 35.516 40.612 1.00 0.00 ATOM 405 C GLY A 52 46.192 34.661 41.086 1.00 0.00 ATOM 406 N LEU A 53 44.880 34.838 41.186 1.00 0.00 ATOM 407 CA LEU A 53 44.302 36.045 40.633 1.00 0.00 ATOM 408 CB LEU A 53 43.572 35.739 39.324 1.00 0.00 ATOM 409 CG LEU A 53 44.441 35.249 38.163 1.00 0.00 ATOM 410 CD1 LEU A 53 43.574 34.772 37.008 1.00 0.00 ATOM 411 CD2 LEU A 53 45.339 36.365 37.654 1.00 0.00 ATOM 412 O LEU A 53 42.669 36.046 42.392 1.00 0.00 ATOM 413 C LEU A 53 43.292 36.703 41.583 1.00 0.00 ATOM 414 N PHE A 54 43.182 38.013 41.416 1.00 0.00 ATOM 415 CA PHE A 54 42.191 38.807 42.113 1.00 0.00 ATOM 416 CB PHE A 54 42.829 40.064 42.707 1.00 0.00 ATOM 417 CG PHE A 54 43.886 39.780 43.736 1.00 0.00 ATOM 418 CD1 PHE A 54 45.228 39.923 43.429 1.00 0.00 ATOM 419 CD2 PHE A 54 43.539 39.369 45.011 1.00 0.00 ATOM 420 CE1 PHE A 54 46.200 39.661 44.375 1.00 0.00 ATOM 421 CE2 PHE A 54 44.511 39.107 45.958 1.00 0.00 ATOM 422 CZ PHE A 54 45.837 39.252 45.645 1.00 0.00 ATOM 423 O PHE A 54 40.091 39.766 41.465 1.00 0.00 ATOM 424 C PHE A 54 41.112 39.186 41.106 1.00 0.00 ATOM 425 N SER A 55 41.240 38.739 39.861 1.00 0.00 ATOM 426 CA SER A 55 40.296 39.030 38.796 1.00 0.00 ATOM 427 CB SER A 55 41.040 39.239 37.475 1.00 0.00 ATOM 428 OG SER A 55 40.133 39.486 36.413 1.00 0.00 ATOM 429 O SER A 55 39.706 36.714 38.476 1.00 0.00 ATOM 430 C SER A 55 39.313 37.859 38.738 1.00 0.00 ATOM 431 N ASP A 56 38.037 38.137 38.958 1.00 0.00 ATOM 432 CA ASP A 56 37.027 37.087 38.923 1.00 0.00 ATOM 433 CB ASP A 56 35.676 37.608 39.415 1.00 0.00 ATOM 434 CG ASP A 56 35.643 37.816 40.917 1.00 0.00 ATOM 435 OD1 ASP A 56 36.574 37.342 41.603 1.00 0.00 ATOM 436 OD2 ASP A 56 34.687 38.453 41.407 1.00 0.00 ATOM 437 O ASP A 56 36.567 35.356 37.347 1.00 0.00 ATOM 438 C ASP A 56 36.830 36.563 37.515 1.00 0.00 ATOM 439 N ALA A 57 36.979 37.397 36.487 1.00 0.00 ATOM 440 CA ALA A 57 36.826 36.854 35.124 1.00 0.00 ATOM 441 CB ALA A 57 36.864 37.978 34.099 1.00 0.00 ATOM 442 O ALA A 57 37.757 34.902 34.021 1.00 0.00 ATOM 443 C ALA A 57 37.944 35.868 34.786 1.00 0.00 ATOM 444 N ASP A 58 39.169 36.164 35.225 1.00 0.00 ATOM 445 CA ASP A 58 40.283 35.247 34.924 1.00 0.00 ATOM 446 CB ASP A 58 41.586 35.635 35.460 1.00 0.00 ATOM 447 CG ASP A 58 42.114 36.858 34.736 1.00 0.00 ATOM 448 OD1 ASP A 58 42.296 36.786 33.504 1.00 0.00 ATOM 449 OD2 ASP A 58 42.347 37.887 35.402 1.00 0.00 ATOM 450 O ASP A 58 40.151 32.857 34.962 1.00 0.00 ATOM 451 C ASP A 58 39.982 33.904 35.579 1.00 0.00 ATOM 452 N ALA A 59 39.541 33.950 36.824 1.00 0.00 ATOM 453 CA ALA A 59 39.234 32.721 37.546 1.00 0.00 ATOM 454 CB ALA A 59 38.819 33.035 38.975 1.00 0.00 ATOM 455 O ALA A 59 38.130 30.750 36.630 1.00 0.00 ATOM 456 C ALA A 59 38.111 31.977 36.855 1.00 0.00 ATOM 457 N TYR A 60 37.063 32.689 36.497 1.00 0.00 ATOM 458 CA TYR A 60 35.930 32.079 35.834 1.00 0.00 ATOM 459 CB TYR A 60 34.762 33.059 35.701 1.00 0.00 ATOM 460 CG TYR A 60 34.147 33.460 37.023 1.00 0.00 ATOM 461 CD1 TYR A 60 34.455 32.771 38.189 1.00 0.00 ATOM 462 CD2 TYR A 60 33.259 34.525 37.101 1.00 0.00 ATOM 463 CE1 TYR A 60 33.897 33.130 39.403 1.00 0.00 ATOM 464 CE2 TYR A 60 32.691 34.898 38.304 1.00 0.00 ATOM 465 CZ TYR A 60 33.019 34.190 39.460 1.00 0.00 ATOM 466 OH TYR A 60 32.462 34.549 40.666 1.00 0.00 ATOM 467 O TYR A 60 35.741 30.453 34.081 1.00 0.00 ATOM 468 C TYR A 60 36.289 31.487 34.475 1.00 0.00 ATOM 469 N HIS A 61 37.215 32.118 33.701 1.00 0.00 ATOM 470 CA HIS A 61 37.585 31.568 32.411 1.00 0.00 ATOM 471 CB HIS A 61 38.463 32.602 31.703 1.00 0.00 ATOM 472 CG HIS A 61 37.733 33.851 31.317 1.00 0.00 ATOM 473 CD2 HIS A 61 36.337 34.247 31.214 1.00 0.00 ATOM 474 ND1 HIS A 61 38.383 35.007 30.940 1.00 0.00 ATOM 475 CE1 HIS A 61 37.469 35.950 30.653 1.00 0.00 ATOM 476 NE2 HIS A 61 36.238 35.502 30.816 1.00 0.00 ATOM 477 O HIS A 61 38.449 29.533 31.508 1.00 0.00 ATOM 478 C HIS A 61 38.377 30.258 32.508 1.00 0.00 ATOM 479 N LEU A 62 38.996 30.013 33.660 1.00 0.00 ATOM 480 CA LEU A 62 39.787 28.792 33.787 1.00 0.00 ATOM 481 CB LEU A 62 40.752 28.900 34.971 1.00 0.00 ATOM 482 CG LEU A 62 41.810 30.002 34.886 1.00 0.00 ATOM 483 CD1 LEU A 62 42.627 30.062 36.167 1.00 0.00 ATOM 484 CD2 LEU A 62 42.758 29.747 33.727 1.00 0.00 ATOM 485 O LEU A 62 37.747 27.643 34.476 1.00 0.00 ATOM 486 C LEU A 62 38.904 27.573 34.015 1.00 0.00 ATOM 487 N ASP A 63 39.508 26.401 33.789 1.00 0.00 ATOM 488 CA ASP A 63 38.792 25.149 33.992 1.00 0.00 ATOM 489 CB ASP A 63 39.486 24.016 33.243 1.00 0.00 ATOM 490 CG ASP A 63 38.491 23.151 32.473 1.00 0.00 ATOM 491 OD1 ASP A 63 38.383 23.318 31.236 1.00 0.00 ATOM 492 OD2 ASP A 63 37.783 22.335 33.108 1.00 0.00 ATOM 493 O ASP A 63 37.574 24.391 35.892 1.00 0.00 ATOM 494 C ASP A 63 38.624 24.889 35.488 1.00 0.00 ATOM 495 N GLN A 64 39.691 25.051 36.364 1.00 0.00 ATOM 496 CA GLN A 64 39.582 24.820 37.797 1.00 0.00 ATOM 497 CB GLN A 64 39.813 23.661 38.410 1.00 0.00 ATOM 498 CG GLN A 64 38.468 22.946 38.418 1.00 0.00 ATOM 499 CD GLN A 64 37.432 23.644 39.274 1.00 0.00 ATOM 500 OE1 GLN A 64 36.242 23.614 38.972 1.00 0.00 ATOM 501 NE2 GLN A 64 37.840 24.284 40.362 1.00 0.00 ATOM 502 O GLN A 64 41.077 26.509 38.607 1.00 0.00 ATOM 503 C GLN A 64 39.952 25.990 38.686 1.00 0.00 ATOM 504 N ALA A 65 38.973 26.430 39.519 1.00 0.00 ATOM 505 CA ALA A 65 39.184 27.554 40.420 1.00 0.00 ATOM 506 CB ALA A 65 38.091 28.566 40.110 1.00 0.00 ATOM 507 O ALA A 65 38.120 26.554 42.253 1.00 0.00 ATOM 508 C ALA A 65 39.116 27.202 41.890 1.00 0.00 ATOM 509 N PHE A 66 40.145 27.563 42.754 1.00 0.00 ATOM 510 CA PHE A 66 40.139 27.256 44.165 1.00 0.00 ATOM 511 CB PHE A 66 41.394 26.452 44.558 1.00 0.00 ATOM 512 CG PHE A 66 41.323 25.031 44.099 1.00 0.00 ATOM 513 CD1 PHE A 66 41.854 24.641 42.887 1.00 0.00 ATOM 514 CD2 PHE A 66 40.728 24.092 44.911 1.00 0.00 ATOM 515 CE1 PHE A 66 41.780 23.304 42.482 1.00 0.00 ATOM 516 CE2 PHE A 66 40.644 22.752 44.503 1.00 0.00 ATOM 517 CZ PHE A 66 41.173 22.381 43.308 1.00 0.00 ATOM 518 O PHE A 66 41.418 29.110 44.909 1.00 0.00 ATOM 519 C PHE A 66 40.322 28.572 44.913 1.00 0.00 ATOM 520 N PRO A 67 39.245 29.175 45.387 1.00 0.00 ATOM 521 CA PRO A 67 39.343 30.420 46.141 1.00 0.00 ATOM 522 CB PRO A 67 37.888 30.788 46.439 1.00 0.00 ATOM 523 CG PRO A 67 37.107 30.123 45.355 1.00 0.00 ATOM 524 CD PRO A 67 37.805 28.822 45.075 1.00 0.00 ATOM 525 O PRO A 67 39.977 29.049 48.004 1.00 0.00 ATOM 526 C PRO A 67 40.117 30.130 47.404 1.00 0.00 ATOM 527 N LEU A 68 40.877 31.074 47.948 1.00 0.00 ATOM 528 CA LEU A 68 41.556 30.905 49.216 1.00 0.00 ATOM 529 CB LEU A 68 42.695 29.894 49.066 1.00 0.00 ATOM 530 CG LEU A 68 43.764 30.229 48.023 1.00 0.00 ATOM 531 CD1 LEU A 68 44.765 31.229 48.581 1.00 0.00 ATOM 532 CD2 LEU A 68 44.523 28.976 47.611 1.00 0.00 ATOM 533 O LEU A 68 41.904 33.293 49.074 1.00 0.00 ATOM 534 C LEU A 68 42.144 32.238 49.684 1.00 0.00 ATOM 535 N LEU A 69 42.961 32.142 50.722 1.00 0.00 ATOM 536 CA LEU A 69 43.600 33.290 51.342 1.00 0.00 ATOM 537 CB LEU A 69 43.110 33.461 52.783 1.00 0.00 ATOM 538 CG LEU A 69 41.612 33.701 52.965 1.00 0.00 ATOM 539 CD1 LEU A 69 41.246 33.719 54.442 1.00 0.00 ATOM 540 CD2 LEU A 69 41.201 35.033 52.357 1.00 0.00 ATOM 541 O LEU A 69 45.556 32.053 51.757 1.00 0.00 ATOM 542 C LEU A 69 45.101 33.125 51.356 1.00 0.00 ATOM 543 N MET A 70 45.857 34.119 50.896 1.00 0.00 ATOM 544 CA MET A 70 47.317 33.971 50.854 1.00 0.00 ATOM 545 CB MET A 70 47.961 35.174 50.163 1.00 0.00 ATOM 546 CG MET A 70 49.468 35.066 50.004 1.00 0.00 ATOM 547 SD MET A 70 50.179 36.475 49.132 1.00 0.00 ATOM 548 CE MET A 70 49.705 36.104 47.446 1.00 0.00 ATOM 549 O MET A 70 47.662 34.807 53.018 1.00 0.00 ATOM 550 C MET A 70 47.880 33.862 52.256 1.00 0.00 ATOM 551 N LYS A 71 48.631 32.782 52.558 1.00 0.00 ATOM 552 CA LYS A 71 49.180 32.640 53.908 1.00 0.00 ATOM 553 CB LYS A 71 49.102 31.188 54.384 1.00 0.00 ATOM 554 CG LYS A 71 49.523 30.987 55.832 1.00 0.00 ATOM 555 CD LYS A 71 49.355 29.538 56.259 1.00 0.00 ATOM 556 CE LYS A 71 49.697 29.353 57.728 1.00 0.00 ATOM 557 NZ LYS A 71 49.525 27.939 58.164 1.00 0.00 ATOM 558 O LYS A 71 51.019 33.719 54.979 1.00 0.00 ATOM 559 C LYS A 71 50.616 33.160 53.958 1.00 0.00 ATOM 560 N GLN A 72 51.377 32.628 52.706 1.00 0.00 ATOM 561 CA GLN A 72 52.806 32.988 52.628 1.00 0.00 ATOM 562 CB GLN A 72 53.679 31.836 53.129 1.00 0.00 ATOM 563 CG GLN A 72 55.169 32.133 53.111 1.00 0.00 ATOM 564 CD GLN A 72 55.992 31.030 53.750 1.00 0.00 ATOM 565 OE1 GLN A 72 55.464 29.976 54.103 1.00 0.00 ATOM 566 NE2 GLN A 72 57.290 31.271 53.898 1.00 0.00 ATOM 567 O GLN A 72 52.691 32.849 50.253 1.00 0.00 ATOM 568 C GLN A 72 53.257 33.341 51.225 1.00 0.00 ATOM 569 N LEU A 73 54.181 34.283 51.165 1.00 0.00 ATOM 570 CA LEU A 73 54.733 34.733 49.899 1.00 0.00 ATOM 571 CB LEU A 73 54.149 36.093 49.513 1.00 0.00 ATOM 572 CG LEU A 73 54.694 36.726 48.231 1.00 0.00 ATOM 573 CD1 LEU A 73 54.302 35.899 47.014 1.00 0.00 ATOM 574 CD2 LEU A 73 54.144 38.131 48.047 1.00 0.00 ATOM 575 O LEU A 73 56.747 35.428 51.023 1.00 0.00 ATOM 576 C LEU A 73 56.252 34.848 50.066 1.00 0.00 ATOM 577 N GLU A 74 56.940 34.202 49.132 1.00 0.00 ATOM 578 CA GLU A 74 58.392 34.259 49.095 1.00 0.00 ATOM 579 CB GLU A 74 58.987 32.856 49.222 1.00 0.00 ATOM 580 CG GLU A 74 60.506 32.828 49.265 1.00 0.00 ATOM 581 CD GLU A 74 61.058 31.423 49.415 1.00 0.00 ATOM 582 OE1 GLU A 74 60.255 30.466 49.411 1.00 0.00 ATOM 583 OE2 GLU A 74 62.294 31.280 49.534 1.00 0.00 ATOM 584 O GLU A 74 58.518 34.238 46.730 1.00 0.00 ATOM 585 C GLU A 74 58.781 34.880 47.752 1.00 0.00 ATOM 586 N LEU A 75 59.353 36.080 47.754 1.00 0.00 ATOM 587 CA LEU A 75 59.682 36.728 46.486 1.00 0.00 ATOM 588 CB LEU A 75 59.452 38.237 46.580 1.00 0.00 ATOM 589 CG LEU A 75 58.023 38.687 46.894 1.00 0.00 ATOM 590 CD1 LEU A 75 57.952 40.201 47.020 1.00 0.00 ATOM 591 CD2 LEU A 75 57.070 38.256 45.790 1.00 0.00 ATOM 592 O LEU A 75 62.066 36.899 46.746 1.00 0.00 ATOM 593 C LEU A 75 61.126 36.555 46.029 1.00 0.00 ATOM 594 N MET A 76 61.305 35.945 44.871 1.00 0.00 ATOM 595 CA MET A 76 62.643 35.733 44.338 1.00 0.00 ATOM 596 CB MET A 76 62.762 34.391 43.612 1.00 0.00 ATOM 597 CG MET A 76 62.487 33.183 44.492 1.00 0.00 ATOM 598 SD MET A 76 63.719 32.975 45.792 1.00 0.00 ATOM 599 CE MET A 76 65.114 32.372 44.844 1.00 0.00 ATOM 600 O MET A 76 62.056 37.711 43.063 1.00 0.00 ATOM 601 C MET A 76 62.910 36.854 43.339 1.00 0.00 ATOM 602 N LEU A 77 64.083 36.819 42.714 1.00 0.00 ATOM 603 CA LEU A 77 64.452 37.817 41.724 1.00 0.00 ATOM 604 CB LEU A 77 65.888 37.593 41.249 1.00 0.00 ATOM 605 CG LEU A 77 66.991 37.851 42.277 1.00 0.00 ATOM 606 CD1 LEU A 77 68.344 37.422 41.733 1.00 0.00 ATOM 607 CD2 LEU A 77 67.066 39.331 42.623 1.00 0.00 ATOM 608 O LEU A 77 63.154 38.807 39.929 1.00 0.00 ATOM 609 C LEU A 77 63.550 37.787 40.499 1.00 0.00 ATOM 610 N THR A 78 63.318 36.499 39.975 1.00 0.00 ATOM 611 CA THR A 78 62.523 36.308 38.774 1.00 0.00 ATOM 612 CB THR A 78 63.351 35.493 37.733 1.00 0.00 ATOM 613 CG2 THR A 78 62.534 35.271 36.452 1.00 0.00 ATOM 614 OG1 THR A 78 64.550 36.209 37.409 1.00 0.00 ATOM 615 O THR A 78 60.212 35.987 38.316 1.00 0.00 ATOM 616 C THR A 78 61.145 35.698 39.064 1.00 0.00 ATOM 617 N SER A 79 61.029 34.889 40.099 1.00 0.00 ATOM 618 CA SER A 79 59.743 34.228 40.377 1.00 0.00 ATOM 619 CB SER A 79 59.845 32.724 40.113 1.00 0.00 ATOM 620 OG SER A 79 60.769 32.114 40.996 1.00 0.00 ATOM 621 O SER A 79 60.192 34.638 42.703 1.00 0.00 ATOM 622 C SER A 79 59.336 34.434 41.833 1.00 0.00 ATOM 623 N GLY A 80 58.019 34.244 42.314 1.00 0.00 ATOM 624 CA GLY A 80 57.442 34.298 43.628 1.00 0.00 ATOM 625 O GLY A 80 56.106 32.405 43.029 1.00 0.00 ATOM 626 C GLY A 80 56.722 32.992 43.924 1.00 0.00 ATOM 627 N GLU A 81 56.897 32.512 45.146 1.00 0.00 ATOM 628 CA GLU A 81 56.268 31.264 45.587 1.00 0.00 ATOM 629 CB GLU A 81 57.169 30.312 46.376 1.00 0.00 ATOM 630 CG GLU A 81 56.462 29.064 46.880 1.00 0.00 ATOM 631 CD GLU A 81 57.382 28.152 47.669 1.00 0.00 ATOM 632 OE1 GLU A 81 58.572 28.498 47.822 1.00 0.00 ATOM 633 OE2 GLU A 81 56.911 27.092 48.133 1.00 0.00 ATOM 634 O GLU A 81 55.308 32.506 47.454 1.00 0.00 ATOM 635 C GLU A 81 55.117 31.766 46.476 1.00 0.00 ATOM 636 N LEU A 82 53.893 31.491 46.055 1.00 0.00 ATOM 637 CA LEU A 82 52.699 31.889 46.756 1.00 0.00 ATOM 638 CB LEU A 82 51.698 32.534 45.797 1.00 0.00 ATOM 639 CG LEU A 82 52.171 33.795 45.070 1.00 0.00 ATOM 640 CD1 LEU A 82 51.108 34.288 44.100 1.00 0.00 ATOM 641 CD2 LEU A 82 52.461 34.910 46.062 1.00 0.00 ATOM 642 O LEU A 82 51.767 29.678 46.644 1.00 0.00 ATOM 643 C LEU A 82 52.093 30.622 47.373 1.00 0.00 ATOM 644 N ASN A 83 51.945 30.654 48.699 1.00 0.00 ATOM 645 CA ASN A 83 51.264 29.597 49.423 1.00 0.00 ATOM 646 CB ASN A 83 52.585 28.710 49.827 1.00 0.00 ATOM 647 CG ASN A 83 53.299 29.312 50.998 1.00 0.00 ATOM 648 ND2 ASN A 83 54.595 29.469 50.796 1.00 0.00 ATOM 649 OD1 ASN A 83 52.671 29.578 52.015 1.00 0.00 ATOM 650 O ASN A 83 49.762 30.645 50.951 1.00 0.00 ATOM 651 C ASN A 83 49.921 29.978 49.915 1.00 0.00 ATOM 652 N PRO A 84 48.875 29.480 49.232 1.00 0.00 ATOM 653 CA PRO A 84 47.500 29.743 49.601 1.00 0.00 ATOM 654 CB PRO A 84 46.768 29.795 48.255 1.00 0.00 ATOM 655 CG PRO A 84 47.589 28.887 47.401 1.00 0.00 ATOM 656 CD PRO A 84 48.994 29.279 47.776 1.00 0.00 ATOM 657 O PRO A 84 47.047 27.508 50.432 1.00 0.00 ATOM 658 C PRO A 84 46.864 28.726 50.529 1.00 0.00 ATOM 659 N ARG A 85 46.018 29.279 51.489 1.00 0.00 ATOM 660 CA ARG A 85 45.253 28.421 52.352 1.00 0.00 ATOM 661 CB ARG A 85 45.075 29.056 53.747 1.00 0.00 ATOM 662 CG ARG A 85 44.065 28.348 54.648 1.00 0.00 ATOM 663 CD ARG A 85 44.214 28.642 56.134 1.00 0.00 ATOM 664 NE ARG A 85 43.033 29.308 56.682 1.00 0.00 ATOM 665 CZ ARG A 85 42.858 30.629 56.765 1.00 0.00 ATOM 666 NH1 ARG A 85 43.790 31.480 56.332 1.00 0.00 ATOM 667 NH2 ARG A 85 41.733 31.110 57.287 1.00 0.00 ATOM 668 O ARG A 85 43.173 29.084 51.344 1.00 0.00 ATOM 669 C ARG A 85 43.891 28.140 51.720 1.00 0.00 ATOM 670 N HIS A 86 43.601 26.863 51.557 1.00 0.00 ATOM 671 CA HIS A 86 42.279 26.479 51.044 1.00 0.00 ATOM 672 CB HIS A 86 42.346 25.114 50.356 1.00 0.00 ATOM 673 CG HIS A 86 43.085 25.130 49.055 1.00 0.00 ATOM 674 CD2 HIS A 86 43.605 26.163 48.169 1.00 0.00 ATOM 675 ND1 HIS A 86 43.445 23.979 48.387 1.00 0.00 ATOM 676 CE1 HIS A 86 44.092 24.312 47.256 1.00 0.00 ATOM 677 NE2 HIS A 86 44.192 25.621 47.119 1.00 0.00 ATOM 678 O HIS A 86 41.871 26.528 53.419 1.00 0.00 ATOM 679 C HIS A 86 41.377 26.451 52.276 1.00 0.00 ATOM 680 N GLN A 87 40.067 26.449 52.088 1.00 0.00 ATOM 681 CA GLN A 87 39.121 26.474 53.181 1.00 0.00 ATOM 682 CB GLN A 87 37.692 26.339 52.655 1.00 0.00 ATOM 683 CG GLN A 87 37.166 27.583 51.958 1.00 0.00 ATOM 684 CD GLN A 87 35.791 27.377 51.356 1.00 0.00 ATOM 685 OE1 GLN A 87 35.239 26.278 51.404 1.00 0.00 ATOM 686 NE2 GLN A 87 35.232 28.437 50.785 1.00 0.00 ATOM 687 O GLN A 87 38.893 25.550 55.361 1.00 0.00 ATOM 688 C GLN A 87 39.298 25.369 54.204 1.00 0.00 ATOM 689 N HIS A 88 39.789 24.206 53.811 1.00 0.00 ATOM 690 CA HIS A 88 39.983 23.073 54.701 1.00 0.00 ATOM 691 CB HIS A 88 39.843 21.741 53.945 1.00 0.00 ATOM 692 CG HIS A 88 38.457 21.517 53.435 1.00 0.00 ATOM 693 CD2 HIS A 88 37.293 21.294 54.090 1.00 0.00 ATOM 694 ND1 HIS A 88 38.153 21.518 52.096 1.00 0.00 ATOM 695 CE1 HIS A 88 36.858 21.302 51.940 1.00 0.00 ATOM 696 NE2 HIS A 88 36.313 21.161 53.137 1.00 0.00 ATOM 697 O HIS A 88 41.745 22.074 55.979 1.00 0.00 ATOM 698 C HIS A 88 41.324 23.086 55.421 1.00 0.00 ATOM 699 N THR A 89 42.073 24.169 55.240 1.00 0.00 ATOM 700 CA THR A 89 43.398 24.268 55.828 1.00 0.00 ATOM 701 CB THR A 89 43.474 23.490 57.154 1.00 0.00 ATOM 702 CG2 THR A 89 42.390 23.962 58.111 1.00 0.00 ATOM 703 OG1 THR A 89 43.293 22.091 56.902 1.00 0.00 ATOM 704 O THR A 89 45.672 23.988 55.298 1.00 0.00 ATOM 705 C THR A 89 44.511 23.723 54.945 1.00 0.00 ATOM 706 N VAL A 90 44.255 22.895 53.815 1.00 0.00 ATOM 707 CA VAL A 90 45.413 22.404 53.036 1.00 0.00 ATOM 708 CB VAL A 90 45.112 21.515 51.863 1.00 0.00 ATOM 709 CG1 VAL A 90 44.604 20.145 52.257 1.00 0.00 ATOM 710 CG2 VAL A 90 44.182 22.251 50.865 1.00 0.00 ATOM 711 O VAL A 90 45.541 24.676 52.410 1.00 0.00 ATOM 712 C VAL A 90 46.139 23.603 52.439 1.00 0.00 ATOM 713 N THR A 91 47.369 23.434 51.965 1.00 0.00 ATOM 714 CA THR A 91 48.113 24.539 51.373 1.00 0.00 ATOM 715 CB THR A 91 49.480 24.734 52.057 1.00 0.00 ATOM 716 CG2 THR A 91 50.242 25.879 51.408 1.00 0.00 ATOM 717 OG1 THR A 91 49.284 25.034 53.444 1.00 0.00 ATOM 718 O THR A 91 48.973 23.311 49.533 1.00 0.00 ATOM 719 C THR A 91 48.366 24.314 49.887 1.00 0.00 ATOM 720 N LEU A 92 47.941 25.235 49.028 1.00 0.00 ATOM 721 CA LEU A 92 48.233 25.102 47.582 1.00 0.00 ATOM 722 CB LEU A 92 47.486 25.208 46.581 1.00 0.00 ATOM 723 CG LEU A 92 47.070 23.818 46.109 1.00 0.00 ATOM 724 CD1 LEU A 92 46.162 23.937 44.875 1.00 0.00 ATOM 725 CD2 LEU A 92 48.270 22.944 45.788 1.00 0.00 ATOM 726 O LEU A 92 49.838 26.806 48.039 1.00 0.00 ATOM 727 C LEU A 92 49.543 25.847 47.320 1.00 0.00 ATOM 728 N TYR A 93 50.327 25.436 46.307 1.00 0.00 ATOM 729 CA TYR A 93 51.569 26.165 46.020 1.00 0.00 ATOM 730 CB TYR A 93 52.785 25.280 46.302 1.00 0.00 ATOM 731 CG TYR A 93 52.923 24.872 47.752 1.00 0.00 ATOM 732 CD1 TYR A 93 52.349 23.695 48.217 1.00 0.00 ATOM 733 CD2 TYR A 93 53.626 25.663 48.650 1.00 0.00 ATOM 734 CE1 TYR A 93 52.470 23.314 49.539 1.00 0.00 ATOM 735 CE2 TYR A 93 53.758 25.298 49.977 1.00 0.00 ATOM 736 CZ TYR A 93 53.172 24.113 50.416 1.00 0.00 ATOM 737 OH TYR A 93 53.294 23.736 51.733 1.00 0.00 ATOM 738 O TYR A 93 51.552 25.682 43.678 1.00 0.00 ATOM 739 C TYR A 93 51.625 26.576 44.551 1.00 0.00 ATOM 740 N ALA A 94 51.831 27.849 44.258 1.00 0.00 ATOM 741 CA ALA A 94 52.005 28.329 42.904 1.00 0.00 ATOM 742 CB ALA A 94 50.899 29.317 42.566 1.00 0.00 ATOM 743 O ALA A 94 53.834 29.709 43.668 1.00 0.00 ATOM 744 C ALA A 94 53.353 29.037 42.757 1.00 0.00 ATOM 745 N LYS A 95 53.968 28.875 41.586 1.00 0.00 ATOM 746 CA LYS A 95 55.200 29.587 41.259 1.00 0.00 ATOM 747 CB LYS A 95 56.217 28.629 40.638 1.00 0.00 ATOM 748 CG LYS A 95 57.560 29.267 40.321 1.00 0.00 ATOM 749 CD LYS A 95 58.530 28.255 39.733 1.00 0.00 ATOM 750 CE LYS A 95 59.859 28.903 39.383 1.00 0.00 ATOM 751 NZ LYS A 95 60.804 27.930 38.766 1.00 0.00 ATOM 752 O LYS A 95 54.219 30.273 39.182 1.00 0.00 ATOM 753 C LYS A 95 54.727 30.621 40.251 1.00 0.00 ATOM 754 N GLY A 96 54.743 31.950 40.658 1.00 0.00 ATOM 755 CA GLY A 96 54.314 33.011 39.770 1.00 0.00 ATOM 756 O GLY A 96 56.162 34.412 40.277 1.00 0.00 ATOM 757 C GLY A 96 55.397 34.017 39.407 1.00 0.00 ATOM 758 N LEU A 97 55.540 34.405 38.159 1.00 0.00 ATOM 759 CA LEU A 97 56.522 35.380 37.733 1.00 0.00 ATOM 760 CB LEU A 97 56.243 35.829 36.297 1.00 0.00 ATOM 761 CG LEU A 97 56.457 34.780 35.204 1.00 0.00 ATOM 762 CD1 LEU A 97 55.999 35.308 33.853 1.00 0.00 ATOM 763 CD2 LEU A 97 57.929 34.408 35.096 1.00 0.00 ATOM 764 O LEU A 97 55.378 36.951 39.136 1.00 0.00 ATOM 765 C LEU A 97 56.467 36.583 38.670 1.00 0.00 ATOM 766 N THR A 98 57.611 37.102 39.078 1.00 0.00 ATOM 767 CA THR A 98 57.637 38.188 40.063 1.00 0.00 ATOM 768 CB THR A 98 59.063 38.731 40.268 1.00 0.00 ATOM 769 CG2 THR A 98 59.057 39.884 41.259 1.00 0.00 ATOM 770 OG1 THR A 98 59.906 37.689 40.772 1.00 0.00 ATOM 771 O THR A 98 56.102 39.975 40.491 1.00 0.00 ATOM 772 C THR A 98 56.781 39.375 39.652 1.00 0.00 ATOM 773 N CYS A 99 56.763 39.709 38.376 1.00 0.00 ATOM 774 CA CYS A 99 56.014 40.859 37.889 1.00 0.00 ATOM 775 CB CYS A 99 56.374 41.155 36.431 1.00 0.00 ATOM 776 SG CYS A 99 58.091 41.658 36.175 1.00 0.00 ATOM 777 O CYS A 99 53.729 41.599 37.894 1.00 0.00 ATOM 778 C CYS A 99 54.501 40.630 37.956 1.00 0.00 ATOM 779 N LYS A 100 54.016 39.329 38.114 1.00 0.00 ATOM 780 CA LYS A 100 52.572 39.078 38.199 1.00 0.00 ATOM 781 CB LYS A 100 52.220 37.742 37.539 1.00 0.00 ATOM 782 CG LYS A 100 52.505 37.695 36.047 1.00 0.00 ATOM 783 CD LYS A 100 52.124 36.348 35.454 1.00 0.00 ATOM 784 CE LYS A 100 52.463 36.280 33.974 1.00 0.00 ATOM 785 NZ LYS A 100 52.054 34.982 33.370 1.00 0.00 ATOM 786 O LYS A 100 50.927 38.769 39.868 1.00 0.00 ATOM 787 C LYS A 100 52.104 39.045 39.644 1.00 0.00 ATOM 788 N ALA A 101 52.989 39.226 40.609 1.00 0.00 ATOM 789 CA ALA A 101 52.644 39.158 42.015 1.00 0.00 ATOM 790 CB ALA A 101 53.534 38.143 42.716 1.00 0.00 ATOM 791 O ALA A 101 52.768 40.456 44.026 1.00 0.00 ATOM 792 C ALA A 101 52.801 40.460 42.795 1.00 0.00 ATOM 793 N ASP A 102 52.918 41.569 42.070 1.00 0.00 ATOM 794 CA ASP A 102 53.160 42.848 42.725 1.00 0.00 ATOM 795 CB ASP A 102 53.423 43.941 41.687 1.00 0.00 ATOM 796 CG ASP A 102 54.791 43.817 41.043 1.00 0.00 ATOM 797 OD1 ASP A 102 55.624 43.047 41.564 1.00 0.00 ATOM 798 OD2 ASP A 102 55.027 44.490 40.018 1.00 0.00 ATOM 799 O ASP A 102 52.258 43.933 44.596 1.00 0.00 ATOM 800 C ASP A 102 51.990 43.291 43.577 1.00 0.00 ATOM 801 N THR A 103 50.743 43.011 43.207 1.00 0.00 ATOM 802 CA THR A 103 49.661 43.504 44.069 1.00 0.00 ATOM 803 CB THR A 103 48.393 43.804 43.249 1.00 0.00 ATOM 804 CG2 THR A 103 48.693 44.818 42.156 1.00 0.00 ATOM 805 OG1 THR A 103 47.917 42.596 42.642 1.00 0.00 ATOM 806 O THR A 103 48.515 42.775 46.044 1.00 0.00 ATOM 807 C THR A 103 49.287 42.479 45.132 1.00 0.00 ATOM 808 N LEU A 104 49.848 41.288 45.038 1.00 0.00 ATOM 809 CA LEU A 104 49.531 40.254 46.014 1.00 0.00 ATOM 810 CB LEU A 104 49.993 38.875 45.538 1.00 0.00 ATOM 811 CG LEU A 104 49.315 38.329 44.280 1.00 0.00 ATOM 812 CD1 LEU A 104 49.946 37.012 43.856 1.00 0.00 ATOM 813 CD2 LEU A 104 47.834 38.088 44.528 1.00 0.00 ATOM 814 O LEU A 104 51.350 40.754 47.497 1.00 0.00 ATOM 815 C LEU A 104 50.156 40.477 47.374 1.00 0.00 ATOM 816 N SER A 105 49.379 40.271 48.436 1.00 0.00 ATOM 817 CA SER A 105 49.873 40.379 49.796 1.00 0.00 ATOM 818 CB SER A 105 49.585 41.770 50.362 1.00 0.00 ATOM 819 OG SER A 105 48.190 41.997 50.472 1.00 0.00 ATOM 820 O SER A 105 48.023 39.074 50.605 1.00 0.00 ATOM 821 C SER A 105 49.220 39.354 50.723 1.00 0.00 ATOM 822 N SER A 106 49.964 38.858 51.710 1.00 0.00 ATOM 823 CA SER A 106 49.381 37.937 52.680 1.00 0.00 ATOM 824 CB SER A 106 50.452 37.516 53.693 1.00 0.00 ATOM 825 OG SER A 106 50.851 38.629 54.473 1.00 0.00 ATOM 826 O SER A 106 47.958 39.682 53.510 1.00 0.00 ATOM 827 C SER A 106 48.073 38.478 53.265 1.00 0.00 ATOM 828 N CYS A 107 47.262 37.404 53.700 1.00 0.00 ATOM 829 CA CYS A 107 45.983 37.809 54.269 1.00 0.00 ATOM 830 CB CYS A 107 46.195 39.003 55.236 1.00 0.00 ATOM 831 SG CYS A 107 46.957 38.596 56.823 1.00 0.00 ATOM 832 O CYS A 107 43.739 38.162 53.516 1.00 0.00 ATOM 833 C CYS A 107 44.942 38.168 53.208 1.00 0.00 ATOM 834 N ASP A 108 45.336 38.300 51.957 1.00 0.00 ATOM 835 CA ASP A 108 44.381 38.671 50.913 1.00 0.00 ATOM 836 CB ASP A 108 45.127 39.171 49.645 1.00 0.00 ATOM 837 CG ASP A 108 45.604 40.610 49.701 1.00 0.00 ATOM 838 OD1 ASP A 108 46.221 41.021 48.683 1.00 0.00 ATOM 839 OD2 ASP A 108 45.418 41.337 50.696 1.00 0.00 ATOM 840 O ASP A 108 43.985 36.349 50.390 1.00 0.00 ATOM 841 C ASP A 108 43.532 37.496 50.428 1.00 0.00 ATOM 842 N TYR A 109 42.299 37.858 50.047 1.00 0.00 ATOM 843 CA TYR A 109 41.404 36.849 49.487 1.00 0.00 ATOM 844 CB TYR A 109 39.967 37.223 49.782 1.00 0.00 ATOM 845 CG TYR A 109 39.004 36.298 49.064 1.00 0.00 ATOM 846 CD1 TYR A 109 38.883 34.962 49.426 1.00 0.00 ATOM 847 CD2 TYR A 109 38.234 36.748 47.993 1.00 0.00 ATOM 848 CE1 TYR A 109 38.031 34.129 48.779 1.00 0.00 ATOM 849 CE2 TYR A 109 37.375 35.888 47.321 1.00 0.00 ATOM 850 CZ TYR A 109 37.279 34.580 47.696 1.00 0.00 ATOM 851 OH TYR A 109 36.485 33.746 46.997 1.00 0.00 ATOM 852 O TYR A 109 41.650 37.758 47.294 1.00 0.00 ATOM 853 C TYR A 109 41.731 36.735 47.995 1.00 0.00 ATOM 854 N VAL A 110 42.075 35.490 47.186 1.00 0.00 ATOM 855 CA VAL A 110 42.427 35.309 45.782 1.00 0.00 ATOM 856 CB VAL A 110 43.953 35.224 45.590 1.00 0.00 ATOM 857 CG1 VAL A 110 44.617 36.521 46.024 1.00 0.00 ATOM 858 CG2 VAL A 110 44.533 34.086 46.418 1.00 0.00 ATOM 859 O VAL A 110 41.183 33.272 46.003 1.00 0.00 ATOM 860 C VAL A 110 41.813 34.021 45.252 1.00 0.00 ATOM 861 N TYR A 111 42.056 33.726 43.967 1.00 0.00 ATOM 862 CA TYR A 111 41.567 32.462 43.440 1.00 0.00 ATOM 863 CB TYR A 111 40.612 32.698 42.283 1.00 0.00 ATOM 864 CG TYR A 111 39.336 33.332 42.747 1.00 0.00 ATOM 865 CD1 TYR A 111 39.010 34.629 42.375 1.00 0.00 ATOM 866 CD2 TYR A 111 38.478 32.651 43.612 1.00 0.00 ATOM 867 CE1 TYR A 111 37.869 35.241 42.853 1.00 0.00 ATOM 868 CE2 TYR A 111 37.329 33.251 44.096 1.00 0.00 ATOM 869 CZ TYR A 111 37.034 34.549 43.714 1.00 0.00 ATOM 870 OH TYR A 111 35.914 35.166 44.205 1.00 0.00 ATOM 871 O TYR A 111 43.508 32.455 42.045 1.00 0.00 ATOM 872 C TYR A 111 42.771 31.813 42.786 1.00 0.00 ATOM 873 N LEU A 112 42.988 30.543 43.114 1.00 0.00 ATOM 874 CA LEU A 112 44.049 29.773 42.489 1.00 0.00 ATOM 875 CB LEU A 112 44.545 28.671 43.458 1.00 0.00 ATOM 876 CG LEU A 112 45.597 27.753 43.039 1.00 0.00 ATOM 877 CD1 LEU A 112 46.923 28.583 42.767 1.00 0.00 ATOM 878 CD2 LEU A 112 45.839 26.759 44.242 1.00 0.00 ATOM 879 O LEU A 112 42.288 28.698 41.420 1.00 0.00 ATOM 880 C LEU A 112 43.411 29.187 41.245 1.00 0.00 ATOM 881 N ALA A 113 44.006 29.207 40.059 1.00 0.00 ATOM 882 CA ALA A 113 43.294 28.634 38.902 1.00 0.00 ATOM 883 CB ALA A 113 42.550 29.737 38.152 1.00 0.00 ATOM 884 O ALA A 113 45.443 28.218 37.891 1.00 0.00 ATOM 885 C ALA A 113 44.241 27.884 37.978 1.00 0.00 ATOM 886 N VAL A 114 43.708 26.907 37.247 1.00 0.00 ATOM 887 CA VAL A 114 44.552 26.157 36.322 1.00 0.00 ATOM 888 CB VAL A 114 45.418 25.120 37.062 1.00 0.00 ATOM 889 CG1 VAL A 114 44.546 24.017 37.642 1.00 0.00 ATOM 890 CG2 VAL A 114 46.423 24.490 36.111 1.00 0.00 ATOM 891 O VAL A 114 42.443 25.291 35.608 1.00 0.00 ATOM 892 C VAL A 114 43.629 25.453 35.334 1.00 0.00 ATOM 893 N TYR A 115 44.174 25.017 34.278 1.00 0.00 ATOM 894 CA TYR A 115 43.421 24.304 33.245 1.00 0.00 ATOM 895 CB TYR A 115 44.019 24.610 31.865 1.00 0.00 ATOM 896 CG TYR A 115 44.175 26.086 31.575 1.00 0.00 ATOM 897 CD1 TYR A 115 45.374 26.745 31.845 1.00 0.00 ATOM 898 CD2 TYR A 115 43.119 26.818 31.044 1.00 0.00 ATOM 899 CE1 TYR A 115 45.518 28.126 31.585 1.00 0.00 ATOM 900 CE2 TYR A 115 43.249 28.195 30.786 1.00 0.00 ATOM 901 CZ TYR A 115 44.446 28.830 31.056 1.00 0.00 ATOM 902 OH TYR A 115 44.584 30.182 30.785 1.00 0.00 ATOM 903 O TYR A 115 44.276 22.256 34.162 1.00 0.00 ATOM 904 C TYR A 115 43.405 22.799 33.495 1.00 0.00 ATOM 905 N PRO A 116 42.297 22.174 32.885 1.00 0.00 ATOM 906 CA PRO A 116 42.087 20.738 33.041 1.00 0.00 ATOM 907 CB PRO A 116 41.104 20.448 31.775 1.00 0.00 ATOM 908 CG PRO A 116 40.842 21.836 31.276 1.00 0.00 ATOM 909 CD PRO A 116 42.157 22.538 31.560 1.00 0.00 ATOM 910 O PRO A 116 43.477 18.805 32.866 1.00 0.00 ATOM 911 C PRO A 116 43.267 19.948 32.470 1.00 0.00 ATOM 912 N THR A 117 43.889 20.554 31.456 1.00 0.00 ATOM 913 CA THR A 117 45.010 19.816 30.826 1.00 0.00 ATOM 914 CB THR A 117 45.189 20.196 29.344 1.00 0.00 ATOM 915 CG2 THR A 117 43.940 19.848 28.550 1.00 0.00 ATOM 916 OG1 THR A 117 45.431 21.603 29.234 1.00 0.00 ATOM 917 O THR A 117 47.371 19.680 31.015 1.00 0.00 ATOM 918 C THR A 117 46.318 20.096 31.523 1.00 0.00 ATOM 919 N PRO A 118 46.409 20.874 32.771 1.00 0.00 ATOM 920 CA PRO A 118 47.599 21.139 33.557 1.00 0.00 ATOM 921 CB PRO A 118 47.901 22.601 33.327 1.00 0.00 ATOM 922 CG PRO A 118 46.501 23.201 33.041 1.00 0.00 ATOM 923 CD PRO A 118 45.966 22.147 32.090 1.00 0.00 ATOM 924 O PRO A 118 48.435 20.402 35.628 1.00 0.00 ATOM 925 C PRO A 118 47.672 20.122 34.702 1.00 0.00 ATOM 926 N GLU A 119 46.868 19.085 34.743 1.00 0.00 ATOM 927 CA GLU A 119 46.965 18.171 35.890 1.00 0.00 ATOM 928 CB GLU A 119 46.200 18.118 36.927 1.00 0.00 ATOM 929 CG GLU A 119 46.849 18.951 38.027 1.00 0.00 ATOM 930 CD GLU A 119 46.243 20.339 38.175 1.00 0.00 ATOM 931 OE1 GLU A 119 46.077 21.048 37.155 1.00 0.00 ATOM 932 OE2 GLU A 119 45.946 20.726 39.325 1.00 0.00 ATOM 933 O GLU A 119 46.864 16.337 34.424 1.00 0.00 ATOM 934 C GLU A 119 47.387 16.780 35.438 1.00 0.00 ATOM 935 N MET A 120 48.162 16.037 36.229 1.00 0.00 ATOM 936 CA MET A 120 48.451 14.637 35.879 1.00 0.00 ATOM 937 CB MET A 120 49.951 14.356 35.989 1.00 0.00 ATOM 938 CG MET A 120 50.793 15.061 34.937 1.00 0.00 ATOM 939 SD MET A 120 52.534 14.601 35.016 1.00 0.00 ATOM 940 CE MET A 120 52.464 12.908 34.434 1.00 0.00 ATOM 941 O MET A 120 47.666 14.100 38.038 1.00 0.00 ATOM 942 C MET A 120 47.683 13.747 36.852 1.00 0.00 ATOM 943 N LYS A 121 47.067 12.667 36.410 1.00 0.00 ATOM 944 CA LYS A 121 46.403 11.712 37.313 1.00 0.00 ATOM 945 CB LYS A 121 44.986 11.384 36.799 1.00 0.00 ATOM 946 CG LYS A 121 44.966 10.601 35.488 1.00 0.00 ATOM 947 CD LYS A 121 43.683 10.853 34.674 1.00 0.00 ATOM 948 CE LYS A 121 42.464 10.131 35.266 1.00 0.00 ATOM 949 NZ LYS A 121 41.212 10.425 34.493 1.00 0.00 ATOM 950 O LYS A 121 47.455 9.661 36.627 1.00 0.00 ATOM 951 C LYS A 121 47.199 10.432 37.554 1.00 0.00 ATOM 952 N ASN A 122 47.660 10.192 38.765 1.00 0.00 ATOM 953 CA ASN A 122 48.443 9.004 39.079 1.00 0.00 ATOM 954 CB ASN A 122 49.663 9.432 39.896 1.00 0.00 ATOM 955 CG ASN A 122 50.700 8.330 40.014 1.00 0.00 ATOM 956 ND2 ASN A 122 51.539 8.417 41.040 1.00 0.00 ATOM 957 OD1 ASN A 122 50.743 7.416 39.191 1.00 0.00 ATOM 958 O ASN A 122 46.657 8.345 40.530 1.00 0.00 ATOM 959 C ASN A 122 47.629 7.988 39.870 1.00 0.00 ENDMDL EXPDTA 2h28A MODEL 2 REMARK 44 REMARK 44 model 2 is called 2h28A ATOM 1 N ASP 16 28.482 13.741 44.666 1.00 0.00 ATOM 2 CA ASP 16 29.676 13.845 43.781 1.00 0.00 ATOM 3 CB ASP 16 29.315 14.595 42.499 1.00 0.00 ATOM 4 CG ASP 16 30.187 14.200 41.329 1.00 0.00 ATOM 5 OD1 ASP 16 31.428 14.202 41.476 1.00 0.00 ATOM 6 OD2 ASP 16 29.633 13.890 40.255 1.00 0.00 ATOM 7 O ASP 16 30.702 14.793 45.732 1.00 0.00 ATOM 8 C ASP 16 30.791 14.580 44.523 1.00 0.00 ATOM 9 N ARG 17 31.831 14.978 43.796 1.00 0.00 ATOM 10 CA ARG 17 32.970 15.659 44.403 1.00 0.00 ATOM 11 CB ARG 17 34.250 15.298 43.646 1.00 0.00 ATOM 12 CG ARG 17 35.530 15.771 44.322 1.00 0.00 ATOM 13 CD ARG 17 36.754 15.343 43.534 1.00 0.00 ATOM 14 NE ARG 17 37.807 14.827 44.402 1.00 0.00 ATOM 15 CZ ARG 17 38.948 14.311 43.961 1.00 0.00 ATOM 16 NH1 ARG 17 39.185 14.246 42.657 1.00 0.00 ATOM 17 NH2 ARG 17 39.851 13.856 44.820 1.00 0.00 ATOM 18 O ARG 17 32.397 17.830 43.544 1.00 0.00 ATOM 19 C ARG 17 32.845 17.181 44.481 1.00 0.00 ATOM 20 N PRO 18 33.249 17.767 45.617 1.00 0.00 ATOM 21 CA PRO 18 33.197 19.214 45.839 1.00 0.00 ATOM 22 CB PRO 18 33.317 19.350 47.359 1.00 0.00 ATOM 23 CG PRO 18 33.153 17.946 47.892 1.00 0.00 ATOM 24 CD PRO 18 33.700 17.072 46.830 1.00 0.00 ATOM 25 O PRO 18 35.334 19.192 44.759 1.00 0.00 ATOM 26 C PRO 18 34.383 19.871 45.151 1.00 0.00 ATOM 27 N TRP 19 34.340 21.194 45.032 1.00 0.00 ATOM 28 CA TRP 19 35.425 21.930 44.410 1.00 0.00 ATOM 29 CB TRP 19 34.850 23.049 43.533 1.00 0.00 ATOM 30 CG TRP 19 35.878 23.853 42.798 1.00 0.00 ATOM 31 CD1 TRP 19 36.242 25.150 43.054 1.00 0.00 ATOM 32 CD2 TRP 19 36.656 23.434 41.664 1.00 0.00 ATOM 33 CE2 TRP 19 37.461 24.530 41.285 1.00 0.00 ATOM 34 CE3 TRP 19 36.748 22.243 40.933 1.00 0.00 ATOM 35 NE1 TRP 19 37.189 25.560 42.150 1.00 0.00 ATOM 36 CZ2 TRP 19 38.350 24.472 40.199 1.00 0.00 ATOM 37 CZ3 TRP 19 37.636 22.184 39.850 1.00 0.00 ATOM 38 CH2 TRP 19 38.420 23.295 39.497 1.00 0.00 ATOM 39 O TRP 19 35.870 23.169 46.431 1.00 0.00 ATOM 40 C TRP 19 36.336 22.505 45.502 1.00 0.00 ATOM 41 N TRP 20 37.634 22.238 45.382 1.00 0.00 ATOM 42 CA TRP 20 38.622 22.713 46.351 1.00 0.00 ATOM 43 CB TRP 20 39.559 21.570 46.775 1.00 0.00 ATOM 44 CG TRP 20 38.876 20.400 47.380 1.00 0.00 ATOM 45 CD1 TRP 20 38.444 19.274 46.730 1.00 0.00 ATOM 46 CD2 TRP 20 38.519 20.232 48.756 1.00 0.00 ATOM 47 CE2 TRP 20 37.870 18.979 48.868 1.00 0.00 ATOM 48 CE3 TRP 20 38.677 21.017 49.904 1.00 0.00 ATOM 49 NE1 TRP 20 37.840 18.419 47.618 1.00 0.00 ATOM 50 CZ2 TRP 20 37.381 18.495 50.083 1.00 0.00 ATOM 51 CZ3 TRP 20 38.186 20.534 51.114 1.00 0.00 ATOM 52 CH2 TRP 20 37.547 19.284 51.191 1.00 0.00 ATOM 53 O TRP 20 40.228 24.471 46.613 1.00 0.00 ATOM 54 C TRP 20 39.507 23.840 45.834 1.00 0.00 ATOM 55 N GLY 21 39.466 24.087 44.526 1.00 0.00 ATOM 56 CA GLY 21 40.332 25.097 43.951 1.00 0.00 ATOM 57 O GLY 21 38.914 26.879 44.684 1.00 0.00 ATOM 58 C GLY 21 39.899 26.544 44.046 1.00 0.00 ATOM 59 N LEU 22 40.669 27.408 43.406 1.00 0.00 ATOM 60 CA LEU 22 40.366 28.822 43.375 1.00 0.00 ATOM 61 CB LEU 22 41.480 29.565 42.645 1.00 0.00 ATOM 62 CG LEU 22 41.479 31.089 42.725 1.00 0.00 ATOM 63 CD1 LEU 22 41.940 31.528 44.116 1.00 0.00 ATOM 64 CD2 LEU 22 42.397 31.640 41.665 1.00 0.00 ATOM 65 O LEU 22 38.814 28.240 41.646 1.00 0.00 ATOM 66 C LEU 22 39.056 28.971 42.603 1.00 0.00 ATOM 67 N PRO 23 38.184 29.906 43.017 1.00 0.00 ATOM 68 CA PRO 23 36.917 30.086 42.296 1.00 0.00 ATOM 69 CB PRO 23 36.372 31.394 42.881 1.00 0.00 ATOM 70 CG PRO 23 36.907 31.365 44.301 1.00 0.00 ATOM 71 CD PRO 23 38.334 30.913 44.085 1.00 0.00 ATOM 72 O PRO 23 38.181 30.925 40.434 1.00 0.00 ATOM 73 C PRO 23 37.250 30.206 40.805 1.00 0.00 ATOM 74 N CYS 24 36.515 29.482 39.963 1.00 0.00 ATOM 75 CA CYS 24 36.765 29.505 38.525 1.00 0.00 ATOM 76 CB CYS 24 37.997 28.657 38.201 1.00 0.00 ATOM 77 SG CYS 24 38.629 28.896 36.520 1.00 0.00 ATOM 78 O CYS 24 34.947 27.987 38.090 1.00 0.00 ATOM 79 C CYS 24 35.571 28.988 37.722 1.00 0.00 ATOM 80 N THR 25 35.252 29.668 36.624 1.00 0.00 ATOM 81 CA THR 25 34.124 29.256 35.788 1.00 0.00 ATOM 82 CB THR 25 33.186 30.452 35.478 1.00 0.00 ATOM 83 CG2 THR 25 32.454 30.894 36.747 1.00 0.00 ATOM 84 OG1 THR 25 33.955 31.555 34.979 1.00 0.00 ATOM 85 O THR 25 33.741 28.131 33.700 1.00 0.00 ATOM 86 C THR 25 34.568 28.610 34.480 1.00 0.00 ATOM 87 N VAL 26 35.874 28.587 34.243 1.00 0.00 ATOM 88 CA VAL 26 36.403 27.988 33.025 1.00 0.00 ATOM 89 CB VAL 26 37.913 28.294 32.848 1.00 0.00 ATOM 90 CG1 VAL 26 38.408 27.714 31.529 1.00 0.00 ATOM 91 CG2 VAL 26 38.160 29.790 32.889 1.00 0.00 ATOM 92 O VAL 26 36.367 25.858 34.137 1.00 0.00 ATOM 93 C VAL 26 36.227 26.470 33.079 1.00 0.00 ATOM 94 N THR 27 35.923 25.868 31.935 1.00 0.00 ATOM 95 CA THR 27 35.750 24.422 31.841 1.00 0.00 ATOM 96 CB THR 27 34.266 24.041 31.661 1.00 0.00 ATOM 97 CG2 THR 27 34.111 22.530 31.584 1.00 0.00 ATOM 98 OG1 THR 27 33.499 24.539 32.768 1.00 0.00 ATOM 99 O THR 27 36.386 24.544 29.543 1.00 0.00 ATOM 100 C THR 27 36.514 23.951 30.608 1.00 0.00 ATOM 101 N PRO 28 37.328 22.889 30.737 1.00 0.00 ATOM 102 CA PRO 28 37.572 22.116 31.955 1.00 0.00 ATOM 103 CB PRO 28 38.216 20.845 31.425 1.00 0.00 ATOM 104 CG PRO 28 39.064 21.381 30.328 1.00 0.00 ATOM 105 CD PRO 28 38.125 22.348 29.621 1.00 0.00 ATOM 106 O PRO 28 39.135 23.859 32.446 1.00 0.00 ATOM 107 C PRO 28 38.519 22.881 32.865 1.00 0.00 ATOM 108 N CYS 29 38.646 22.426 34.104 1.00 0.00 ATOM 109 CA CYS 29 39.530 23.090 35.042 1.00 0.00 ATOM 110 CB CYS 29 38.826 24.287 35.679 1.00 0.00 ATOM 111 SG CYS 29 39.909 25.400 36.612 1.00 0.00 ATOM 112 O CYS 29 39.205 21.283 36.584 1.00 0.00 ATOM 113 C CYS 29 39.970 22.140 36.137 1.00 0.00 ATOM 114 N PHE 30 41.220 22.295 36.548 1.00 0.00 ATOM 115 CA PHE 30 41.784 21.496 37.624 1.00 0.00 ATOM 116 CB PHE 30 43.197 21.043 37.279 1.00 0.00 ATOM 117 CG PHE 30 43.926 20.406 38.427 1.00 0.00 ATOM 118 CD1 PHE 30 43.550 19.150 38.899 1.00 0.00 ATOM 119 CD2 PHE 30 44.981 21.071 39.053 1.00 0.00 ATOM 120 CE1 PHE 30 44.216 18.560 39.983 1.00 0.00 ATOM 121 CE2 PHE 30 45.653 20.489 40.135 1.00 0.00 ATOM 122 CZ PHE 30 45.269 19.233 40.600 1.00 0.00 ATOM 123 O PHE 30 42.342 23.568 38.673 1.00 0.00 ATOM 124 C PHE 30 41.837 22.450 38.801 1.00 0.00 ATOM 125 N GLY 31 41.306 22.016 39.936 1.00 0.00 ATOM 126 CA GLY 31 41.318 22.850 41.118 1.00 0.00 ATOM 127 O GLY 31 41.635 20.867 42.441 1.00 0.00 ATOM 128 C GLY 31 41.892 22.074 42.290 1.00 0.00 ATOM 129 N ALA 32 42.688 22.758 43.105 1.00 0.00 ATOM 130 CA ALA 32 43.298 22.144 44.271 1.00 0.00 ATOM 131 CB ALA 32 44.649 21.499 43.882 1.00 0.00 ATOM 132 O ALA 32 43.733 24.354 45.159 1.00 0.00 ATOM 133 C ALA 32 43.526 23.151 45.399 1.00 0.00 ATOM 134 N ARG 33 43.479 22.655 46.631 1.00 0.00 ATOM 135 CA ARG 33 43.749 23.502 47.782 1.00 0.00 ATOM 136 CB ARG 33 42.623 23.438 48.807 1.00 0.00 ATOM 137 CG ARG 33 42.834 24.425 49.958 1.00 0.00 ATOM 138 CD ARG 33 41.734 24.313 50.984 1.00 0.00 ATOM 139 NE ARG 33 41.829 23.076 51.751 1.00 0.00 ATOM 140 CZ ARG 33 40.877 22.639 52.570 1.00 0.00 ATOM 141 NH1 ARG 33 39.762 23.340 52.717 1.00 0.00 ATOM 142 NH2 ARG 33 41.045 21.508 53.249 1.00 0.00 ATOM 143 O ARG 33 45.014 21.854 48.955 1.00 0.00 ATOM 144 C ARG 33 45.023 22.945 48.388 1.00 0.00 ATOM 145 N LEU 34 46.113 23.689 48.242 1.00 0.00 ATOM 146 CA LEU 34 47.414 23.276 48.757 1.00 0.00 ATOM 147 CB LEU 34 48.540 23.897 47.918 1.00 0.00 ATOM 148 CG LEU 34 48.439 23.642 46.409 1.00 0.00 ATOM 149 CD1 LEU 34 49.604 24.335 45.666 1.00 0.00 ATOM 150 CD2 LEU 34 48.444 22.135 46.164 1.00 0.00 ATOM 151 O LEU 34 47.209 24.778 50.591 1.00 0.00 ATOM 152 C LEU 34 47.601 23.689 50.204 1.00 0.00 ATOM 153 N VAL 35 48.189 22.801 51.001 1.00 0.00 ATOM 154 CA VAL 35 48.465 23.099 52.401 1.00 0.00 ATOM 155 CB VAL 35 48.759 21.814 53.207 1.00 0.00 ATOM 156 CG1 VAL 35 49.248 22.171 54.613 1.00 0.00 ATOM 157 CG2 VAL 35 47.506 20.956 53.278 1.00 0.00 ATOM 158 O VAL 35 50.748 23.559 51.840 1.00 0.00 ATOM 159 C VAL 35 49.720 23.960 52.388 1.00 0.00 ATOM 160 N GLN 36 49.627 25.140 52.986 1.00 0.00 ATOM 161 CA GLN 36 50.744 26.069 53.038 1.00 0.00 ATOM 162 CB GLN 36 50.252 27.474 52.672 1.00 0.00 ATOM 163 CG GLN 36 51.318 28.565 52.659 1.00 0.00 ATOM 164 CD GLN 36 51.448 29.272 53.996 1.00 0.00 ATOM 165 OE1 GLN 36 50.446 29.596 54.633 1.00 0.00 ATOM 166 NE2 GLN 36 52.681 29.528 54.419 1.00 0.00 ATOM 167 O GLN 36 50.729 26.499 55.390 1.00 0.00 ATOM 168 C GLN 36 51.367 26.079 54.431 1.00 0.00 ATOM 169 N GLU 37 52.608 25.608 54.520 1.00 0.00 ATOM 170 CA GLU 37 53.355 25.563 55.773 1.00 0.00 ATOM 171 CB GLU 37 53.655 24.108 56.156 1.00 0.00 ATOM 172 CG GLU 37 54.480 23.937 57.425 1.00 0.00 ATOM 173 CD GLU 37 53.631 23.847 58.683 1.00 0.00 ATOM 174 OE1 GLU 37 52.910 22.838 58.847 1.00 0.00 ATOM 175 OE2 GLU 37 53.683 24.784 59.507 1.00 0.00 ATOM 176 O GLU 37 55.598 25.803 54.917 1.00 0.00 ATOM 177 C GLU 37 54.663 26.325 55.534 1.00 0.00 ATOM 178 N GLY 38 54.728 27.560 56.022 1.00 0.00 ATOM 179 CA GLY 38 55.924 28.360 55.812 1.00 0.00 ATOM 180 O GLY 38 55.042 29.074 53.723 1.00 0.00 ATOM 181 C GLY 38 56.021 28.640 54.326 1.00 0.00 ATOM 182 N ASN 39 57.181 28.396 53.725 1.00 0.00 ATOM 183 CA ASN 39 57.334 28.623 52.293 1.00 0.00 ATOM 184 CB ASN 39 58.677 29.285 51.982 1.00 0.00 ATOM 185 CG ASN 39 58.805 30.661 52.603 1.00 0.00 ATOM 186 ND2 ASN 39 59.894 30.882 53.332 1.00 0.00 ATOM 187 OD1 ASN 39 57.936 31.519 52.427 1.00 0.00 ATOM 188 O ASN 39 57.635 27.166 50.403 1.00 0.00 ATOM 189 C ASN 39 57.223 27.292 51.557 1.00 0.00 ATOM 190 N ARG 40 56.663 26.301 52.243 1.00 0.00 ATOM 191 CA ARG 40 56.470 24.977 51.676 1.00 0.00 ATOM 192 CB ARG 40 56.895 23.900 52.675 1.00 0.00 ATOM 193 CG ARG 40 58.383 23.584 52.685 1.00 0.00 ATOM 194 CD ARG 40 59.231 24.757 53.148 1.00 0.00 ATOM 195 NE ARG 40 60.654 24.419 53.130 1.00 0.00 ATOM 196 CZ ARG 40 61.195 23.426 53.829 1.00 0.00 ATOM 197 NH1 ARG 40 60.436 22.667 54.610 1.00 0.00 ATOM 198 NH2 ARG 40 62.495 23.181 53.737 1.00 0.00 ATOM 199 O ARG 40 54.104 25.243 52.005 1.00 0.00 ATOM 200 C ARG 40 55.005 24.769 51.309 1.00 0.00 ATOM 201 N LEU 41 54.773 24.066 50.207 1.00 0.00 ATOM 202 CA LEU 41 53.417 23.786 49.764 1.00 0.00 ATOM 203 CB LEU 41 53.148 24.441 48.406 1.00 0.00 ATOM 204 CG LEU 41 53.005 25.962 48.459 1.00 0.00 ATOM 205 CD1 LEU 41 52.764 26.513 47.057 1.00 0.00 ATOM 206 CD2 LEU 41 51.851 26.324 49.381 1.00 0.00 ATOM 207 O LEU 41 54.132 21.577 49.216 1.00 0.00 ATOM 208 C LEU 41 53.243 22.285 49.670 1.00 0.00 ATOM 209 N HIS 42 52.091 21.799 50.105 1.00 0.00 ATOM 210 CA HIS 42 51.843 20.376 50.067 1.00 0.00 ATOM 211 CB HIS 42 51.772 19.844 51.495 1.00 0.00 ATOM 212 CG HIS 42 53.042 20.040 52.264 1.00 0.00 ATOM 213 CD2 HIS 42 53.346 20.869 53.292 1.00 0.00 ATOM 214 ND1 HIS 42 54.202 19.357 51.968 1.00 0.00 ATOM 215 CE1 HIS 42 55.165 19.755 52.780 1.00 0.00 ATOM 216 NE2 HIS 42 54.672 20.672 53.593 1.00 0.00 ATOM 217 O HIS 42 49.488 20.473 49.640 1.00 0.00 ATOM 218 C HIS 42 50.581 20.031 49.295 1.00 0.00 ATOM 219 N TYR 43 50.748 19.229 48.248 1.00 0.00 ATOM 220 CA TYR 43 49.630 18.805 47.412 1.00 0.00 ATOM 221 CB TYR 43 50.120 18.461 46.006 1.00 0.00 ATOM 222 CG TYR 43 49.045 17.836 45.148 1.00 0.00 ATOM 223 CD1 TYR 43 47.947 18.585 44.728 1.00 0.00 ATOM 224 CD2 TYR 43 49.112 16.489 44.773 1.00 0.00 ATOM 225 CE1 TYR 43 46.940 18.021 43.961 1.00 0.00 ATOM 226 CE2 TYR 43 48.109 15.912 44.002 1.00 0.00 ATOM 227 CZ TYR 43 47.024 16.683 43.605 1.00 0.00 ATOM 228 OH TYR 43 45.989 16.129 42.899 1.00 0.00 ATOM 229 O TYR 43 49.531 16.592 48.302 1.00 0.00 ATOM 230 C TYR 43 48.906 17.595 47.978 1.00 0.00 ATOM 231 N LEU 44 47.586 17.711 48.089 1.00 0.00 ATOM 232 CA LEU 44 46.732 16.644 48.574 1.00 0.00 ATOM 233 CB LEU 44 45.969 17.091 49.823 1.00 0.00 ATOM 234 CG LEU 44 46.829 17.319 51.064 1.00 0.00 ATOM 235 CD1 LEU 44 45.939 17.734 52.233 1.00 0.00 ATOM 236 CD2 LEU 44 47.588 16.042 51.394 1.00 0.00 ATOM 237 O LEU 44 44.905 17.080 47.074 1.00 0.00 ATOM 238 C LEU 44 45.746 16.266 47.473 1.00 0.00 ATOM 239 N ALA 45 45.848 15.032 46.983 1.00 0.00 ATOM 240 CA ALA 45 44.971 14.558 45.913 1.00 0.00 ATOM 241 CB ALA 45 45.370 13.145 45.490 1.00 0.00 ATOM 242 O ALA 45 42.644 14.907 45.493 1.00 0.00 ATOM 243 C ALA 45 43.503 14.595 46.316 1.00 0.00 ATOM 244 N ASP 46 43.217 14.289 47.580 1.00 0.00 ATOM 245 CA ASP 46 41.848 14.309 48.078 1.00 0.00 ATOM 246 CB ASP 46 41.746 13.567 49.409 1.00 0.00 ATOM 247 CG ASP 46 41.857 12.072 49.244 1.00 0.00 ATOM 248 OD1 ASP 46 41.155 11.519 48.370 1.00 0.00 ATOM 249 OD2 ASP 46 42.636 11.447 49.992 1.00 0.00 ATOM 250 O ASP 46 40.227 15.957 48.745 1.00 0.00 ATOM 251 C ASP 46 41.345 15.740 48.271 1.00 0.00 ATOM 252 N ARG 47 42.182 16.709 47.928 1.00 0.00 ATOM 253 CA ARG 47 41.809 18.117 48.056 1.00 0.00 ATOM 254 CB ARG 47 42.685 18.798 49.118 1.00 0.00 ATOM 255 CG ARG 47 42.476 18.243 50.528 1.00 0.00 ATOM 256 CD ARG 47 41.110 18.634 51.086 1.00 0.00 ATOM 257 NE ARG 47 40.845 18.027 52.390 1.00 0.00 ATOM 258 CZ ARG 47 40.232 16.860 52.566 1.00 0.00 ATOM 259 NH1 ARG 47 39.812 16.159 51.511 1.00 0.00 ATOM 260 NH2 ARG 47 40.020 16.403 53.798 1.00 0.00 ATOM 261 O ARG 47 42.413 19.929 46.595 1.00 0.00 ATOM 262 C ARG 47 42.017 18.765 46.695 1.00 0.00 ATOM 263 N ALA 48 41.763 17.977 45.655 1.00 0.00 ATOM 264 CA ALA 48 41.915 18.404 44.274 1.00 0.00 ATOM 265 CB ALA 48 43.329 18.073 43.769 1.00 0.00 ATOM 266 O ALA 48 40.229 16.738 43.891 1.00 0.00 ATOM 267 C ALA 48 40.870 17.676 43.427 1.00 0.00 ATOM 268 N GLY 49 40.700 18.116 42.186 1.00 0.00 ATOM 269 CA GLY 49 39.729 17.476 41.319 1.00 0.00 ATOM 270 O GLY 49 40.194 19.313 39.854 1.00 0.00 ATOM 271 C GLY 49 39.626 18.223 40.009 1.00 0.00 ATOM 272 N ILE 50 38.896 17.647 39.062 1.00 0.00 ATOM 273 CA ILE 50 38.743 18.272 37.759 1.00 0.00 ATOM 274 CB ILE 50 39.413 17.407 36.673 1.00 0.00 ATOM 275 CG1 ILE 50 40.933 17.448 36.855 1.00 0.00 ATOM 276 CG2 ILE 50 38.994 17.885 35.276 1.00 0.00 ATOM 277 CD1 ILE 50 41.674 16.346 36.121 1.00 0.00 ATOM 278 O ILE 50 36.424 17.688 37.687 1.00 0.00 ATOM 279 C ILE 50 37.288 18.500 37.380 1.00 0.00 ATOM 280 N ARG 51 37.024 19.628 36.733 1.00 0.00 ATOM 281 CA ARG 51 35.682 19.946 36.260 1.00 0.00 ATOM 282 CB ARG 51 35.301 21.381 36.616 1.00 0.00 ATOM 283 CG ARG 51 34.716 21.570 38.003 1.00 0.00 ATOM 284 CD ARG 51 34.729 23.050 38.332 1.00 0.00 ATOM 285 NE ARG 51 33.969 23.388 39.533 1.00 0.00 ATOM 286 CZ ARG 51 34.006 24.588 40.099 1.00 0.00 ATOM 287 NH1 ARG 51 34.766 25.532 39.574 1.00 0.00 ATOM 288 NH2 ARG 51 33.269 24.852 41.164 1.00 0.00 ATOM 289 O ARG 51 36.575 20.481 34.110 1.00 0.00 ATOM 290 C ARG 51 35.756 19.820 34.746 1.00 0.00 ATOM 291 N GLY 52 34.919 18.963 34.172 1.00 0.00 ATOM 292 CA GLY 52 34.930 18.783 32.731 1.00 0.00 ATOM 293 O GLY 52 36.360 16.884 33.046 1.00 0.00 ATOM 294 C GLY 52 35.925 17.735 32.270 1.00 0.00 ATOM 295 N LEU 53 36.292 17.802 30.996 1.00 0.00 ATOM 296 CA LEU 53 37.228 16.850 30.415 1.00 0.00 ATOM 297 CB LEU 53 36.501 15.946 29.414 1.00 0.00 ATOM 298 CG LEU 53 37.411 15.069 28.543 1.00 0.00 ATOM 299 CD1 LEU 53 38.044 13.981 29.404 1.00 0.00 ATOM 300 CD2 LEU 53 36.613 14.450 27.397 1.00 0.00 ATOM 301 O LEU 53 38.177 18.311 28.768 1.00 0.00 ATOM 302 C LEU 53 38.383 17.542 29.709 1.00 0.00 ATOM 303 N PHE 54 39.601 17.279 30.167 1.00 0.00 ATOM 304 CA PHE 54 40.773 17.866 29.537 1.00 0.00 ATOM 305 CB PHE 54 41.990 17.834 30.471 1.00 0.00 ATOM 306 CG PHE 54 42.057 18.979 31.445 1.00 0.00 ATOM 307 CD1 PHE 54 41.403 18.912 32.670 1.00 0.00 ATOM 308 CD2 PHE 54 42.798 20.117 31.143 1.00 0.00 ATOM 309 CE1 PHE 54 41.491 19.970 33.589 1.00 0.00 ATOM 310 CE2 PHE 54 42.892 21.181 32.056 1.00 0.00 ATOM 311 CZ PHE 54 42.238 21.103 33.280 1.00 0.00 ATOM 312 O PHE 54 41.079 15.824 28.321 1.00 0.00 ATOM 313 C PHE 54 41.125 17.057 28.298 1.00 0.00 ATOM 314 N SER 55 41.474 17.745 27.216 1.00 0.00 ATOM 315 CA SER 55 41.890 17.050 26.008 1.00 0.00 ATOM 316 CB SER 55 42.298 18.055 24.925 1.00 0.00 ATOM 317 OG SER 55 43.408 18.841 25.336 1.00 0.00 ATOM 318 O SER 55 43.708 16.580 27.493 1.00 0.00 ATOM 319 C SER 55 43.105 16.250 26.470 1.00 0.00 ATOM 320 N ASP 56 43.465 15.199 25.742 1.00 0.00 ATOM 321 CA ASP 56 44.609 14.383 26.135 1.00 0.00 ATOM 322 CB ASP 56 44.798 13.227 25.153 1.00 0.00 ATOM 323 CG ASP 56 45.286 13.695 23.798 1.00 0.00 ATOM 324 OD1 ASP 56 44.579 14.508 23.162 1.00 0.00 ATOM 325 OD2 ASP 56 46.381 13.255 23.376 1.00 0.00 ATOM 326 O ASP 56 46.736 15.045 27.044 1.00 0.00 ATOM 327 C ASP 56 45.880 15.230 26.179 1.00 0.00 ATOM 328 N ALA 57 45.999 16.158 25.236 1.00 0.00 ATOM 329 CA ALA 57 47.161 17.029 25.170 1.00 0.00 ATOM 330 CB ALA 57 47.097 17.878 23.911 1.00 0.00 ATOM 331 O ALA 57 48.362 18.140 26.937 1.00 0.00 ATOM 332 C ALA 57 47.266 17.927 26.410 1.00 0.00 ATOM 333 N ASP 58 46.132 18.452 26.869 1.00 0.00 ATOM 334 CA ASP 58 46.119 19.320 28.047 1.00 0.00 ATOM 335 CB ASP 58 44.795 20.085 28.144 1.00 0.00 ATOM 336 CG ASP 58 44.637 21.119 27.045 1.00 0.00 ATOM 337 OD1 ASP 58 45.658 21.688 26.610 1.00 0.00 ATOM 338 OD2 ASP 58 43.492 21.377 26.627 1.00 0.00 ATOM 339 O ASP 58 47.092 19.012 30.223 1.00 0.00 ATOM 340 C ASP 58 46.363 18.547 29.347 1.00 0.00 ATOM 341 N ALA 59 45.752 17.374 29.472 1.00 0.00 ATOM 342 CA ALA 59 45.933 16.559 30.666 1.00 0.00 ATOM 343 CB ALA 59 45.115 15.287 30.565 1.00 0.00 ATOM 344 O ALA 59 47.947 16.236 31.935 1.00 0.00 ATOM 345 C ALA 59 47.412 16.223 30.825 1.00 0.00 ATOM 346 N TYR 60 48.071 15.931 29.708 1.00 0.00 ATOM 347 CA TYR 60 49.486 15.602 29.732 1.00 0.00 ATOM 348 CB TYR 60 49.922 15.077 28.360 1.00 0.00 ATOM 349 CG TYR 60 51.412 14.884 28.219 1.00 0.00 ATOM 350 CD1 TYR 60 52.235 15.940 27.843 1.00 0.00 ATOM 351 CD2 TYR 60 52.002 13.650 28.475 1.00 0.00 ATOM 352 CE1 TYR 60 53.606 15.773 27.723 1.00 0.00 ATOM 353 CE2 TYR 60 53.373 13.473 28.359 1.00 0.00 ATOM 354 CZ TYR 60 54.167 14.538 27.982 1.00 0.00 ATOM 355 OH TYR 60 55.526 14.376 27.857 1.00 0.00 ATOM 356 O TYR 60 51.243 16.669 30.977 1.00 0.00 ATOM 357 C TYR 60 50.346 16.799 30.145 1.00 0.00 ATOM 358 N HIS 61 50.077 17.963 29.564 1.00 0.00 ATOM 359 CA HIS 61 50.835 19.163 29.900 1.00 0.00 ATOM 360 CB HIS 61 50.477 20.295 28.936 1.00 0.00 ATOM 361 CG HIS 61 51.082 20.137 27.577 1.00 0.00 ATOM 362 CD2 HIS 61 51.982 19.244 27.101 1.00 0.00 ATOM 363 ND1 HIS 61 50.790 20.983 26.528 1.00 0.00 ATOM 364 CE1 HIS 61 51.484 20.617 25.465 1.00 0.00 ATOM 365 NE2 HIS 61 52.215 19.566 25.787 1.00 0.00 ATOM 366 O HIS 61 51.480 20.093 32.019 1.00 0.00 ATOM 367 C HIS 61 50.582 19.595 31.345 1.00 0.00 ATOM 368 N LEU 62 49.355 19.403 31.808 1.00 0.00 ATOM 369 CA LEU 62 48.980 19.751 33.173 1.00 0.00 ATOM 370 CB LEU 62 47.501 19.432 33.403 1.00 0.00 ATOM 371 CG LEU 62 46.717 20.036 34.578 1.00 0.00 ATOM 372 CD1 LEU 62 45.573 19.089 34.922 1.00 0.00 ATOM 373 CD2 LEU 62 47.595 20.261 35.795 1.00 0.00 ATOM 374 O LEU 62 50.513 19.396 35.006 1.00 0.00 ATOM 375 C LEU 62 49.831 18.893 34.111 1.00 0.00 ATOM 376 N ASP 63 49.789 17.585 33.890 1.00 0.00 ATOM 377 CA ASP 63 50.543 16.666 34.725 1.00 0.00 ATOM 378 CB ASP 63 50.286 15.224 34.307 1.00 0.00 ATOM 379 CG ASP 63 51.187 14.260 35.036 1.00 0.00 ATOM 380 OD1 ASP 63 50.944 14.015 36.232 1.00 0.00 ATOM 381 OD2 ASP 63 52.153 13.773 34.420 1.00 0.00 ATOM 382 O ASP 63 52.686 16.822 35.780 1.00 0.00 ATOM 383 C ASP 63 52.052 16.904 34.730 1.00 0.00 ATOM 384 N GLN 64 52.624 17.186 33.563 1.00 0.00 ATOM 385 CA GLN 64 54.066 17.410 33.455 1.00 0.00 ATOM 386 CB GLN 64 54.505 17.393 31.984 1.00 0.00 ATOM 387 CG GLN 64 54.411 16.037 31.286 1.00 0.00 ATOM 388 CD GLN 64 55.281 14.967 31.932 1.00 0.00 ATOM 389 OE1 GLN 64 54.944 14.423 32.987 1.00 0.00 ATOM 390 NE2 GLN 64 56.410 14.663 31.301 1.00 0.00 ATOM 391 O GLN 64 55.615 18.800 34.648 1.00 0.00 ATOM 392 C GLN 64 54.522 18.721 34.087 1.00 0.00 ATOM 393 N ALA 65 53.689 19.750 33.987 1.00 0.00 ATOM 394 CA ALA 65 54.026 21.056 34.534 1.00 0.00 ATOM 395 CB ALA 65 53.341 22.147 33.713 1.00 0.00 ATOM 396 O ALA 65 54.154 22.198 36.634 1.00 0.00 ATOM 397 C ALA 65 53.687 21.244 36.011 1.00 0.00 ATOM 398 N PHE 66 52.889 20.349 36.585 1.00 0.00 ATOM 399 CA PHE 66 52.502 20.523 37.983 1.00 0.00 ATOM 400 CB PHE 66 51.592 19.384 38.454 1.00 0.00 ATOM 401 CG PHE 66 50.836 19.707 39.710 1.00 0.00 ATOM 402 CD1 PHE 66 49.990 20.810 39.759 1.00 0.00 ATOM 403 CD2 PHE 66 50.990 18.932 40.854 1.00 0.00 ATOM 404 CE1 PHE 66 49.309 21.139 40.931 1.00 0.00 ATOM 405 CE2 PHE 66 50.314 19.250 42.026 1.00 0.00 ATOM 406 CZ PHE 66 49.473 20.356 42.066 1.00 0.00 ATOM 407 O PHE 66 53.600 21.556 39.836 1.00 0.00 ATOM 408 C PHE 66 53.661 20.695 38.966 1.00 0.00 ATOM 409 N PRO 67 54.728 19.881 38.848 1.00 0.00 ATOM 410 CA PRO 67 55.850 20.040 39.789 1.00 0.00 ATOM 411 CB PRO 67 56.794 18.898 39.409 1.00 0.00 ATOM 412 CG PRO 67 55.860 17.858 38.844 1.00 0.00 ATOM 413 CD PRO 67 54.921 18.694 37.998 1.00 0.00 ATOM 414 O PRO 67 56.912 22.019 40.629 1.00 0.00 ATOM 415 C PRO 67 56.510 21.406 39.645 1.00 0.00 ATOM 416 N LEU 68 56.610 21.886 38.411 1.00 0.00 ATOM 417 CA LEU 68 57.205 23.190 38.162 1.00 0.00 ATOM 418 CB LEU 68 57.346 23.430 36.657 1.00 0.00 ATOM 419 CG LEU 68 58.073 24.713 36.257 1.00 0.00 ATOM 420 CD1 LEU 68 59.509 24.660 36.764 1.00 0.00 ATOM 421 CD2 LEU 68 58.059 24.868 34.750 1.00 0.00 ATOM 422 O LEU 68 56.778 25.176 39.457 1.00 0.00 ATOM 423 C LEU 68 56.305 24.256 38.782 1.00 0.00 ATOM 424 N LEU 69 55.002 24.121 38.551 1.00 0.00 ATOM 425 CA LEU 69 54.030 25.059 39.096 1.00 0.00 ATOM 426 CB LEU 69 52.607 24.631 38.711 1.00 0.00 ATOM 427 CG LEU 69 52.258 24.698 37.214 1.00 0.00 ATOM 428 CD1 LEU 69 50.842 24.167 36.979 1.00 0.00 ATOM 429 CD2 LEU 69 52.367 26.146 36.717 1.00 0.00 ATOM 430 O LEU 69 54.240 26.224 41.186 1.00 0.00 ATOM 431 C LEU 69 54.174 25.137 40.616 1.00 0.00 ATOM 432 N MET 70 54.230 23.978 41.265 1.00 0.00 ATOM 433 CA MET 70 54.383 23.911 42.718 1.00 0.00 ATOM 434 CB MET 70 54.564 22.459 43.168 1.00 0.00 ATOM 435 CG MET 70 53.348 21.584 42.995 1.00 0.00 ATOM 436 SD MET 70 51.885 22.186 44.088 1.00 0.00 ATOM 437 CE MET 70 52.498 21.529 45.804 1.00 0.00 ATOM 438 O MET 70 55.539 25.531 44.075 1.00 0.00 ATOM 439 C MET 70 55.609 24.710 43.162 1.00 0.00 ATOM 440 N LYS 71 56.731 24.449 42.503 1.00 0.00 ATOM 441 CA LYS 71 57.991 25.111 42.811 1.00 0.00 ATOM 442 CB LYS 71 59.087 24.576 41.889 1.00 0.00 ATOM 443 CG LYS 71 60.492 24.807 42.392 1.00 0.00 ATOM 444 CD LYS 71 60.795 23.918 43.591 1.00 0.00 ATOM 445 CE LYS 71 60.659 22.442 43.238 1.00 0.00 ATOM 446 NZ LYS 71 61.042 21.565 44.381 1.00 0.00 ATOM 447 O LYS 71 58.293 27.395 43.506 1.00 0.00 ATOM 448 C LYS 71 57.862 26.625 42.646 1.00 0.00 ATOM 449 N GLN 72 57.258 27.052 41.544 1.00 0.00 ATOM 450 CA GLN 72 57.088 28.476 41.297 1.00 0.00 ATOM 451 CB GLN 72 56.449 28.709 39.929 1.00 0.00 ATOM 452 CG GLN 72 57.343 28.296 38.783 1.00 0.00 ATOM 453 CD GLN 72 56.803 28.705 37.425 1.00 0.00 ATOM 454 OE1 GLN 72 57.469 28.528 36.404 1.00 0.00 ATOM 455 NE2 GLN 72 55.595 29.255 37.406 1.00 0.00 ATOM 456 O GLN 72 56.570 30.227 42.837 1.00 0.00 ATOM 457 C GLN 72 56.254 29.130 42.387 1.00 0.00 ATOM 458 N LEU 73 55.197 28.454 42.826 1.00 0.00 ATOM 459 CA LEU 73 54.350 29.007 43.871 1.00 0.00 ATOM 460 CB LEU 73 53.087 28.153 44.044 1.00 0.00 ATOM 461 CG LEU 73 52.114 28.147 42.854 1.00 0.00 ATOM 462 CD1 LEU 73 50.938 27.229 43.168 1.00 0.00 ATOM 463 CD2 LEU 73 51.616 29.560 42.568 1.00 0.00 ATOM 464 O LEU 73 54.917 30.084 45.942 1.00 0.00 ATOM 465 C LEU 73 55.113 29.123 45.193 1.00 0.00 ATOM 466 N GLU 74 55.989 28.162 45.480 1.00 0.00 ATOM 467 CA GLU 74 56.772 28.214 46.718 1.00 0.00 ATOM 468 CB GLU 74 57.490 26.888 46.970 1.00 0.00 ATOM 469 CG GLU 74 56.570 25.722 47.243 1.00 0.00 ATOM 470 CD GLU 74 57.329 24.481 47.651 1.00 0.00 ATOM 471 OE1 GLU 74 58.319 24.134 46.971 1.00 0.00 ATOM 472 OE2 GLU 74 56.935 23.848 48.650 1.00 0.00 ATOM 473 O GLU 74 58.141 29.959 47.666 1.00 0.00 ATOM 474 C GLU 74 57.813 29.332 46.653 1.00 0.00 ATOM 475 N LEU 75 58.342 29.558 45.456 1.00 0.00 ATOM 476 CA LEU 75 59.328 30.600 45.246 1.00 0.00 ATOM 477 CB LEU 75 59.767 30.617 43.777 1.00 0.00 ATOM 478 CG LEU 75 60.807 31.659 43.359 1.00 0.00 ATOM 479 CD1 LEU 75 62.085 31.453 44.156 1.00 0.00 ATOM 480 CD2 LEU 75 61.080 31.546 41.869 1.00 0.00 ATOM 481 O LEU 75 59.231 32.741 46.327 1.00 0.00 ATOM 482 C LEU 75 58.657 31.915 45.615 1.00 0.00 ATOM 483 N MET 76 57.423 32.085 45.146 1.00 0.00 ATOM 484 CA MET 76 56.652 33.293 45.410 1.00 0.00 ATOM 485 CB MET 76 55.380 33.289 44.562 1.00 0.00 ATOM 486 CG MET 76 55.659 33.083 43.083 1.00 0.00 ATOM 487 SD MET 76 54.099 33.245 41.959 1.00 0.00 ATOM 488 CE MET 76 54.802 34.504 40.669 1.00 0.00 ATOM 489 O MET 76 56.079 34.567 47.365 1.00 0.00 ATOM 490 C MET 76 56.304 33.453 46.891 1.00 0.00 ATOM 491 N LEU 77 56.245 32.343 47.620 1.00 0.00 ATOM 492 CA LEU 77 55.961 32.406 49.052 1.00 0.00 ATOM 493 CB LEU 77 55.587 31.025 49.605 1.00 0.00 ATOM 494 CG LEU 77 54.180 30.462 49.375 1.00 0.00 ATOM 495 CD1 LEU 77 54.134 29.028 49.894 1.00 0.00 ATOM 496 CD2 LEU 77 53.144 31.323 50.088 1.00 0.00 ATOM 497 O LEU 77 57.194 33.750 50.616 1.00 0.00 ATOM 498 C LEU 77 57.234 32.889 49.741 1.00 0.00 ATOM 499 N THR 78 58.361 32.315 49.330 1.00 0.00 ATOM 500 CA THR 78 59.661 32.662 49.880 1.00 0.00 ATOM 501 CB THR 78 60.770 31.776 49.269 1.00 0.00 ATOM 502 CG2 THR 78 62.111 32.034 49.963 1.00 0.00 ATOM 503 OG1 THR 78 60.414 30.394 49.415 1.00 0.00 ATOM 504 O THR 78 60.439 34.864 50.434 1.00 0.00 ATOM 505 C THR 78 59.971 34.122 49.570 1.00 0.00 ATOM 506 N SER 79 59.701 34.527 48.333 1.00 0.00 ATOM 507 CA SER 79 59.955 35.897 47.895 1.00 0.00 ATOM 508 CB SER 79 59.879 35.987 46.376 1.00 0.00 ATOM 509 OG SER 79 58.543 35.821 45.946 1.00 0.00 ATOM 510 O SER 79 59.240 38.045 48.661 1.00 0.00 ATOM 511 C SER 79 58.946 36.866 48.493 1.00 0.00 ATOM 512 N GLY 80 57.751 36.371 48.800 1.00 0.00 ATOM 513 CA GLY 80 56.732 37.227 49.382 1.00 0.00 ATOM 514 O GLY 80 54.603 38.203 48.893 1.00 0.00 ATOM 515 C GLY 80 55.597 37.618 48.450 1.00 0.00 ATOM 516 N GLU 81 55.731 37.300 47.164 1.00 0.00 ATOM 517 CA GLU 81 54.695 37.629 46.194 1.00 0.00 ATOM 518 CB GLU 81 55.079 37.127 44.802 1.00 0.00 ATOM 519 CG GLU 81 54.333 37.849 43.691 1.00 0.00 ATOM 520 CD GLU 81 54.750 37.394 42.309 1.00 0.00 ATOM 521 OE1 GLU 81 55.970 37.280 42.061 1.00 0.00 ATOM 522 OE2 GLU 81 53.856 37.162 41.468 1.00 0.00 ATOM 523 O GLU 81 52.321 37.661 46.486 1.00 0.00 ATOM 524 C GLU 81 53.359 37.026 46.619 1.00 0.00 ATOM 525 N LEU 82 53.383 35.790 47.108 1.00 0.00 ATOM 526 CA LEU 82 52.163 35.144 47.593 1.00 0.00 ATOM 527 CB LEU 82 52.150 33.647 47.256 1.00 0.00 ATOM 528 CG LEU 82 51.489 33.194 45.953 1.00 0.00 ATOM 529 CD1 LEU 82 51.671 31.704 45.791 1.00 0.00 ATOM 530 CD2 LEU 82 50.002 33.541 45.971 1.00 0.00 ATOM 531 O LEU 82 53.137 34.882 49.762 1.00 0.00 ATOM 532 C LEU 82 52.197 35.324 49.106 1.00 0.00 ATOM 533 N ASN 83 51.185 35.981 49.657 1.00 0.00 ATOM 534 CA ASN 83 51.148 36.220 51.095 1.00 0.00 ATOM 535 CB ASN 83 51.157 37.725 51.379 1.00 0.00 ATOM 536 CG ASN 83 51.370 38.034 52.843 1.00 0.00 ATOM 537 ND2 ASN 83 52.405 38.815 53.139 1.00 0.00 ATOM 538 OD1 ASN 83 50.616 37.576 53.703 1.00 0.00 ATOM 539 O ASN 83 48.790 35.898 51.366 1.00 0.00 ATOM 540 C ASN 83 49.919 35.584 51.729 1.00 0.00 ATOM 541 N PRO 84 50.134 34.681 52.698 1.00 0.00 ATOM 542 CA PRO 84 49.086 33.958 53.427 1.00 0.00 ATOM 543 CB PRO 84 49.874 33.175 54.469 1.00 0.00 ATOM 544 CG PRO 84 51.155 32.888 53.762 1.00 0.00 ATOM 545 CD PRO 84 51.469 34.218 53.114 1.00 0.00 ATOM 546 O PRO 84 46.886 34.396 54.282 1.00 0.00 ATOM 547 C PRO 84 48.014 34.840 54.065 1.00 0.00 ATOM 548 N ARG 85 48.357 36.087 54.364 1.00 0.00 ATOM 549 CA ARG 85 47.399 36.983 54.997 1.00 0.00 ATOM 550 CB ARG 85 48.060 37.734 56.155 1.00 0.00 ATOM 551 CG ARG 85 48.644 36.845 57.238 1.00 0.00 ATOM 552 CD ARG 85 48.871 37.647 58.507 1.00 0.00 ATOM 553 NE ARG 85 47.604 38.059 59.102 1.00 0.00 ATOM 554 CZ ARG 85 46.853 37.278 59.871 1.00 0.00 ATOM 555 NH1 ARG 85 47.247 36.042 60.145 1.00 0.00 ATOM 556 NH2 ARG 85 45.704 37.728 60.358 1.00 0.00 ATOM 557 O ARG 85 46.023 38.875 54.490 1.00 0.00 ATOM 558 C ARG 85 46.767 37.994 54.051 1.00 0.00 ATOM 559 N HIS 86 47.053 37.880 52.760 1.00 0.00 ATOM 560 CA HIS 86 46.483 38.816 51.798 1.00 0.00 ATOM 561 CB HIS 86 47.551 39.807 51.327 1.00 0.00 ATOM 562 CG HIS 86 48.189 40.580 52.439 1.00 0.00 ATOM 563 CD2 HIS 86 49.489 40.757 52.771 1.00 0.00 ATOM 564 ND1 HIS 86 47.457 41.293 53.365 1.00 0.00 ATOM 565 CE1 HIS 86 48.279 41.874 54.220 1.00 0.00 ATOM 566 NE2 HIS 86 49.518 41.565 53.882 1.00 0.00 ATOM 567 O HIS 86 46.401 37.148 50.074 1.00 0.00 ATOM 568 C HIS 86 45.864 38.130 50.589 1.00 0.00 ATOM 569 N GLN 87 44.721 38.646 50.151 1.00 0.00 ATOM 570 CA GLN 87 44.045 38.104 48.983 1.00 0.00 ATOM 571 CB GLN 87 42.549 38.424 49.017 1.00 0.00 ATOM 572 CG GLN 87 41.788 37.952 47.780 1.00 0.00 ATOM 573 CD GLN 87 42.094 38.785 46.539 1.00 0.00 ATOM 574 OE1 GLN 87 41.784 39.976 46.487 1.00 0.00 ATOM 575 NE2 GLN 87 42.708 38.160 45.538 1.00 0.00 ATOM 576 O GLN 87 44.566 39.961 47.563 1.00 0.00 ATOM 577 C GLN 87 44.683 38.753 47.767 1.00 0.00 ATOM 578 N HIS 88 45.369 37.943 46.971 1.00 0.00 ATOM 579 CA HIS 88 46.039 38.423 45.771 1.00 0.00 ATOM 580 CB HIS 88 47.387 39.053 46.130 1.00 0.00 ATOM 581 CG HIS 88 48.217 39.416 44.939 1.00 0.00 ATOM 582 CD2 HIS 88 49.443 38.997 44.545 1.00 0.00 ATOM 583 ND1 HIS 88 47.781 40.292 43.967 1.00 0.00 ATOM 584 CE1 HIS 88 48.701 40.394 43.025 1.00 0.00 ATOM 585 NE2 HIS 88 49.719 39.618 43.352 1.00 0.00 ATOM 586 O HIS 88 46.900 36.261 45.167 1.00 0.00 ATOM 587 C HIS 88 46.248 37.251 44.818 1.00 0.00 ATOM 588 N THR 89 45.708 37.373 43.611 1.00 0.00 ATOM 589 CA THR 89 45.824 36.304 42.631 1.00 0.00 ATOM 590 CB THR 89 44.552 36.215 41.788 1.00 0.00 ATOM 591 CG2 THR 89 44.644 35.068 40.797 1.00 0.00 ATOM 592 OG1 THR 89 43.428 36.015 42.652 1.00 0.00 ATOM 593 O THR 89 47.176 37.427 40.987 1.00 0.00 ATOM 594 C THR 89 47.024 36.430 41.696 1.00 0.00 ATOM 595 N VAL 90 47.879 35.414 41.709 1.00 0.00 ATOM 596 CA VAL 90 49.048 35.391 40.846 1.00 0.00 ATOM 597 CB VAL 90 50.264 34.765 41.553 1.00 0.00 ATOM 598 CG1 VAL 90 51.410 34.611 40.567 1.00 0.00 ATOM 599 CG2 VAL 90 50.699 35.643 42.720 1.00 0.00 ATOM 600 O VAL 90 47.815 33.699 39.670 1.00 0.00 ATOM 601 C VAL 90 48.704 34.552 39.621 1.00 0.00 ATOM 602 N THR 91 49.408 34.793 38.524 1.00 0.00 ATOM 603 CA THR 91 49.158 34.064 37.298 1.00 0.00 ATOM 604 CB THR 91 48.568 34.992 36.232 1.00 0.00 ATOM 605 CG2 THR 91 48.367 34.245 34.924 1.00 0.00 ATOM 606 OG1 THR 91 47.306 35.496 36.694 1.00 0.00 ATOM 607 O THR 91 51.488 34.076 36.763 1.00 0.00 ATOM 608 C THR 91 50.436 33.438 36.784 1.00 0.00 ATOM 609 N LEU 92 50.341 32.174 36.391 1.00 0.00 ATOM 610 CA LEU 92 51.486 31.438 35.877 1.00 0.00 ATOM 611 CB LEU 92 51.953 30.394 36.897 1.00 0.00 ATOM 612 CG LEU 92 52.450 30.905 38.254 1.00 0.00 ATOM 613 CD1 LEU 92 52.798 29.723 39.145 1.00 0.00 ATOM 614 CD2 LEU 92 53.669 31.795 38.057 1.00 0.00 ATOM 615 O LEU 92 49.876 30.545 34.348 1.00 0.00 ATOM 616 C LEU 92 51.064 30.741 34.593 1.00 0.00 ATOM 617 N TYR 93 52.036 30.356 33.777 1.00 0.00 ATOM 618 CA TYR 93 51.721 29.695 32.526 1.00 0.00 ATOM 619 CB TYR 93 51.964 30.650 31.354 1.00 0.00 ATOM 620 CG TYR 93 51.064 31.865 31.390 1.00 0.00 ATOM 621 CD1 TYR 93 51.484 33.061 31.974 1.00 0.00 ATOM 622 CD2 TYR 93 49.767 31.799 30.892 1.00 0.00 ATOM 623 CE1 TYR 93 50.627 34.160 32.061 1.00 0.00 ATOM 624 CE2 TYR 93 48.905 32.882 30.976 1.00 0.00 ATOM 625 CZ TYR 93 49.337 34.058 31.561 1.00 0.00 ATOM 626 OH TYR 93 48.457 35.112 31.664 1.00 0.00 ATOM 627 O TYR 93 53.523 28.151 32.903 1.00 0.00 ATOM 628 C TYR 93 52.476 28.397 32.308 1.00 0.00 ATOM 629 N ALA 94 51.903 27.558 31.458 1.00 0.00 ATOM 630 CA ALA 94 52.475 26.273 31.098 1.00 0.00 ATOM 631 CB ALA 94 52.054 25.207 32.099 1.00 0.00 ATOM 632 O ALA 94 50.878 26.519 29.338 1.00 0.00 ATOM 633 C ALA 94 51.909 25.965 29.720 1.00 0.00 ATOM 634 N LYS 95 52.578 25.093 28.976 1.00 0.00 ATOM 635 CA LYS 95 52.137 24.736 27.630 1.00 0.00 ATOM 636 CB LYS 95 52.708 23.371 27.233 1.00 0.00 ATOM 637 CG LYS 95 54.221 23.370 27.044 1.00 0.00 ATOM 638 CD LYS 95 54.736 22.013 26.583 1.00 0.00 ATOM 639 CE LYS 95 56.247 22.037 26.385 1.00 0.00 ATOM 640 NZ LYS 95 56.790 20.719 25.944 1.00 0.00 ATOM 641 O LYS 95 49.941 23.776 27.838 1.00 0.00 ATOM 642 C LYS 95 50.621 24.731 27.457 1.00 0.00 ATOM 643 N GLY 96 50.104 25.814 26.886 1.00 0.00 ATOM 644 CA GLY 96 48.678 25.937 26.641 1.00 0.00 ATOM 645 O GLY 96 46.595 25.767 27.798 1.00 0.00 ATOM 646 C GLY 96 47.807 25.977 27.879 1.00 0.00 ATOM 647 N LEU 97 48.408 26.261 29.030 1.00 0.00 ATOM 648 CA LEU 97 47.641 26.304 30.268 1.00 0.00 ATOM 649 CB LEU 97 47.991 25.102 31.155 1.00 0.00 ATOM 650 CG LEU 97 47.714 23.694 30.629 1.00 0.00 ATOM 651 CD1 LEU 97 48.437 22.671 31.512 1.00 0.00 ATOM 652 CD2 LEU 97 46.216 23.433 30.611 1.00 0.00 ATOM 653 O LEU 97 48.935 28.150 31.082 1.00 0.00 ATOM 654 C LEU 97 47.853 27.575 31.071 1.00 0.00 ATOM 655 N THR 98 46.795 27.995 31.746 1.00 0.00 ATOM 656 CA THR 98 46.831 29.167 32.601 1.00 0.00 ATOM 657 CB THR 98 45.704 30.148 32.256 1.00 0.00 ATOM 658 CG2 THR 98 45.714 31.328 33.221 1.00 0.00 ATOM 659 OG1 THR 98 45.871 30.614 30.909 1.00 0.00 ATOM 660 O THR 98 45.718 27.863 34.286 1.00 0.00 ATOM 661 C THR 98 46.620 28.666 34.025 1.00 0.00 ATOM 662 N CYS 99 47.462 29.125 34.937 1.00 0.00 ATOM 663 CA CYS 99 47.354 28.728 36.330 1.00 0.00 ATOM 664 CB CYS 99 48.614 27.983 36.783 1.00 0.00 ATOM 665 SG CYS 99 48.699 27.782 38.592 1.00 0.00 ATOM 666 O CYS 99 47.969 30.858 37.226 1.00 0.00 ATOM 667 C CYS 99 47.150 29.948 37.217 1.00 0.00 ATOM 668 N LYS 100 46.047 29.961 37.951 1.00 0.00 ATOM 669 CA LYS 100 45.757 31.046 38.872 1.00 0.00 ATOM 670 CB LYS 100 44.315 31.530 38.699 1.00 0.00 ATOM 671 CG LYS 100 44.026 32.171 37.353 1.00 0.00 ATOM 672 CD LYS 100 44.744 33.503 37.203 1.00 0.00 ATOM 673 CE LYS 100 44.271 34.227 35.947 1.00 0.00 ATOM 674 NZ LYS 100 42.778 34.274 35.898 1.00 0.00 ATOM 675 O LYS 100 45.564 29.300 40.500 1.00 0.00 ATOM 676 C LYS 100 45.928 30.462 40.266 1.00 0.00 ATOM 677 N ALA 101 46.476 31.262 41.183 1.00 0.00 ATOM 678 CA ALA 101 46.689 30.832 42.558 1.00 0.00 ATOM 679 CB ALA 101 48.063 30.200 42.694 1.00 0.00 ATOM 680 O ALA 101 46.936 33.141 43.212 1.00 0.00 ATOM 681 C ALA 101 46.546 32.010 43.525 1.00 0.00 ATOM 682 N ASP 102 45.993 31.741 44.702 1.00 0.00 ATOM 683 CA ASP 102 45.782 32.788 45.710 1.00 0.00 ATOM 684 CB ASP 102 44.466 33.521 45.412 1.00 0.00 ATOM 685 CG ASP 102 44.374 34.886 46.083 1.00 0.00 ATOM 686 OD1 ASP 102 44.833 35.051 47.238 1.00 0.00 ATOM 687 OD2 ASP 102 43.810 35.797 45.439 1.00 0.00 ATOM 688 O ASP 102 45.103 31.034 47.200 1.00 0.00 ATOM 689 C ASP 102 45.673 32.128 47.084 1.00 0.00 ATOM 690 N THR 103 46.216 32.773 48.116 1.00 0.00 ATOM 691 CA THR 103 46.106 32.223 49.470 1.00 0.00 ATOM 692 CB THR 103 47.085 32.880 50.472 1.00 0.00 ATOM 693 CG2 THR 103 48.519 32.725 50.020 1.00 0.00 ATOM 694 OG1 THR 103 46.767 34.273 50.600 1.00 0.00 ATOM 695 O THR 103 44.189 31.968 50.882 1.00 0.00 ATOM 696 C THR 103 44.712 32.574 49.952 1.00 0.00 ATOM 697 N LEU 104 44.117 33.566 49.296 1.00 0.00 ATOM 698 CA LEU 104 42.800 34.076 49.661 1.00 0.00 ATOM 699 CB LEU 104 41.721 33.010 49.481 1.00 0.00 ATOM 700 CG LEU 104 41.432 32.559 48.043 1.00 0.00 ATOM 701 CD1 LEU 104 40.262 31.565 48.028 1.00 0.00 ATOM 702 CD2 LEU 104 41.083 33.777 47.194 1.00 0.00 ATOM 703 O LEU 104 41.824 34.538 51.810 1.00 0.00 ATOM 704 C LEU 104 42.836 34.553 51.112 1.00 0.00 ATOM 705 N SER 105 44.023 34.967 51.553 1.00 0.00 ATOM 706 CA SER 105 44.228 35.464 52.908 1.00 0.00 ATOM 707 CB SER 105 43.390 36.732 53.108 1.00 0.00 ATOM 708 OG SER 105 43.965 37.575 54.088 1.00 0.00 ATOM 709 O SER 105 43.431 34.722 55.055 1.00 0.00 ATOM 710 C SER 105 43.843 34.400 53.941 1.00 0.00 ATOM 711 N SER 106 44.006 33.132 53.570 1.00 0.00 ATOM 712 CA SER 106 43.635 32.014 54.438 1.00 0.00 ATOM 713 CB SER 106 43.348 30.772 53.587 1.00 0.00 ATOM 714 OG SER 106 44.544 30.300 52.990 1.00 0.00 ATOM 715 O SER 106 44.204 30.879 56.455 1.00 0.00 ATOM 716 C SER 106 44.600 31.607 55.549 1.00 0.00 ATOM 717 N CYS 107 45.852 32.053 55.486 1.00 0.00 ATOM 718 CA CYS 107 46.837 31.675 56.503 1.00 0.00 ATOM 719 CB CYS 107 46.586 32.425 57.822 1.00 0.00 ATOM 720 SG CYS 107 46.869 34.222 57.773 1.00 0.00 ATOM 721 O CYS 107 46.619 29.720 57.896 1.00 0.00 ATOM 722 C CYS 107 46.737 30.166 56.752 1.00 0.00 ATOM 723 N ASP 108 46.773 29.389 55.673 1.00 0.00 ATOM 724 CA ASP 108 46.665 27.931 55.758 1.00 0.00 ATOM 725 CB ASP 108 45.295 27.518 56.318 1.00 0.00 ATOM 726 CG ASP 108 45.358 27.096 57.777 1.00 0.00 ATOM 727 OD1 ASP 108 46.419 26.604 58.208 1.00 0.00 ATOM 728 OD2 ASP 108 44.339 27.239 58.485 1.00 0.00 ATOM 729 O ASP 108 47.379 26.171 54.290 1.00 0.00 ATOM 730 C ASP 108 46.826 27.271 54.395 1.00 0.00 ATOM 731 N TYR 109 46.342 27.940 53.351 1.00 0.00 ATOM 732 CA TYR 109 46.420 27.359 52.024 1.00 0.00 ATOM 733 CB TYR 109 45.089 26.688 51.649 1.00 0.00 ATOM 734 CG TYR 109 44.326 26.027 52.770 1.00 0.00 ATOM 735 CD1 TYR 109 43.262 26.683 53.390 1.00 0.00 ATOM 736 CD2 TYR 109 44.638 24.731 53.184 1.00 0.00 ATOM 737 CE1 TYR 109 42.522 26.066 54.395 1.00 0.00 ATOM 738 CE2 TYR 109 43.904 24.099 54.190 1.00 0.00 ATOM 739 CZ TYR 109 42.850 24.770 54.790 1.00 0.00 ATOM 740 OH TYR 109 42.121 24.166 55.786 1.00 0.00 ATOM 741 O TYR 109 46.840 29.522 51.051 1.00 0.00 ATOM 742 C TYR 109 46.737 28.306 50.888 1.00 0.00 ATOM 743 N VAL 110 46.878 27.689 49.721 1.00 0.00 ATOM 744 CA VAL 110 47.075 28.376 48.461 1.00 0.00 ATOM 745 CB VAL 110 48.501 28.211 47.897 1.00 0.00 ATOM 746 CG1 VAL 110 48.530 28.625 46.424 1.00 0.00 ATOM 747 CG2 VAL 110 49.468 29.083 48.681 1.00 0.00 ATOM 748 O VAL 110 46.181 26.390 47.414 1.00 0.00 ATOM 749 C VAL 110 46.076 27.620 47.589 1.00 0.00 ATOM 750 N TYR 111 45.070 28.340 47.103 1.00 0.00 ATOM 751 CA TYR 111 44.061 27.745 46.249 1.00 0.00 ATOM 752 CB TYR 111 42.701 28.417 46.442 1.00 0.00 ATOM 753 CG TYR 111 42.094 28.259 47.814 1.00 0.00 ATOM 754 CD1 TYR 111 42.496 29.075 48.879 1.00 0.00 ATOM 755 CD2 TYR 111 41.093 27.309 48.049 1.00 0.00 ATOM 756 CE1 TYR 111 41.910 28.950 50.138 1.00 0.00 ATOM 757 CE2 TYR 111 40.504 27.178 49.308 1.00 0.00 ATOM 758 CZ TYR 111 40.920 28.004 50.341 1.00 0.00 ATOM 759 OH TYR 111 40.341 27.881 51.578 1.00 0.00 ATOM 760 O TYR 111 45.008 29.028 44.460 1.00 0.00 ATOM 761 C TYR 111 44.508 27.953 44.810 1.00 0.00 ATOM 762 N LEU 112 44.337 26.934 43.975 1.00 0.00 ATOM 763 CA LEU 112 44.735 27.086 42.590 1.00 0.00 ATOM 764 CB LEU 112 46.096 26.411 42.336 1.00 0.00 ATOM 765 CG LEU 112 46.228 24.888 42.392 1.00 0.00 ATOM 766 CD1 LEU 112 45.657 24.268 41.117 1.00 0.00 ATOM 767 CD2 LEU 112 47.701 24.514 42.513 1.00 0.00 ATOM 768 O LEU 112 42.870 25.717 41.912 1.00 0.00 ATOM 769 C LEU 112 43.709 26.576 41.602 1.00 0.00 ATOM 770 N ALA 113 43.778 27.138 40.406 1.00 0.00 ATOM 771 CA ALA 113 42.900 26.749 39.327 1.00 0.00 ATOM 772 CB ALA 113 41.759 27.765 39.165 1.00 0.00 ATOM 773 O ALA 113 44.486 27.711 37.825 1.00 0.00 ATOM 774 C ALA 113 43.782 26.736 38.093 1.00 0.00 ATOM 775 N VAL 114 43.769 25.621 37.368 1.00 0.00 ATOM 776 CA VAL 114 44.555 25.489 36.148 1.00 0.00 ATOM 777 CB VAL 114 45.640 24.384 36.263 1.00 0.00 ATOM 778 CG1 VAL 114 46.526 24.401 35.010 1.00 0.00 ATOM 779 CG2 VAL 114 46.473 24.584 37.523 1.00 0.00 ATOM 780 O VAL 114 42.847 24.127 35.184 1.00 0.00 ATOM 781 C VAL 114 43.591 25.091 35.036 1.00 0.00 ATOM 782 N TYR 115 43.598 25.835 33.933 1.00 0.00 ATOM 783 CA TYR 115 42.711 25.532 32.814 1.00 0.00 ATOM 784 CB TYR 115 41.406 26.325 32.941 1.00 0.00 ATOM 785 CG TYR 115 41.605 27.797 33.222 1.00 0.00 ATOM 786 CD1 TYR 115 41.592 28.280 34.534 1.00 0.00 ATOM 787 CD2 TYR 115 41.800 28.712 32.179 1.00 0.00 ATOM 788 CE1 TYR 115 41.766 29.633 34.804 1.00 0.00 ATOM 789 CE2 TYR 115 41.970 30.075 32.437 1.00 0.00 ATOM 790 CZ TYR 115 41.952 30.525 33.754 1.00 0.00 ATOM 791 OH TYR 115 42.115 31.862 34.031 1.00 0.00 ATOM 792 O TYR 115 44.409 26.507 31.411 1.00 0.00 ATOM 793 C TYR 115 43.377 25.835 31.469 1.00 0.00 ATOM 794 N PRO 116 42.807 25.320 30.364 1.00 0.00 ATOM 795 CA PRO 116 43.404 25.582 29.049 1.00 0.00 ATOM 796 CB PRO 116 42.535 24.760 28.093 1.00 0.00 ATOM 797 CG PRO 116 41.969 23.669 28.982 1.00 0.00 ATOM 798 CD PRO 116 41.638 24.433 30.241 1.00 0.00 ATOM 799 O PRO 116 42.232 27.659 28.966 1.00 0.00 ATOM 800 C PRO 116 43.294 27.067 28.769 1.00 0.00 ATOM 801 N THR 117 44.383 27.680 28.335 1.00 0.00 ATOM 802 CA THR 117 44.345 29.104 28.039 1.00 0.00 ATOM 803 CB THR 117 45.674 29.590 27.465 1.00 0.00 ATOM 804 CG2 THR 117 45.625 31.090 27.217 1.00 0.00 ATOM 805 OG1 THR 117 46.718 29.305 28.399 1.00 0.00 ATOM 806 O THR 117 43.246 28.748 25.947 1.00 0.00 ATOM 807 C THR 117 43.246 29.344 27.015 1.00 0.00 ATOM 808 N PRO 118 42.288 30.219 27.339 1.00 0.00 ATOM 809 CA PRO 118 41.197 30.495 26.407 1.00 0.00 ATOM 810 CB PRO 118 40.359 31.522 27.158 1.00 0.00 ATOM 811 CG PRO 118 41.388 32.274 27.928 1.00 0.00 ATOM 812 CD PRO 118 42.259 31.161 28.469 1.00 0.00 ATOM 813 O PRO 118 42.644 31.798 25.007 1.00 0.00 ATOM 814 C PRO 118 41.696 31.020 25.072 1.00 0.00 ATOM 815 N GLU 119 41.064 30.567 24.003 1.00 0.00 ATOM 816 CA GLU 119 41.432 31.014 22.675 1.00 0.00 ATOM 817 CB GLU 119 41.116 29.920 21.652 1.00 0.00 ATOM 818 CG GLU 119 41.844 28.604 21.912 1.00 0.00 ATOM 819 CD GLU 119 41.391 27.483 20.990 1.00 0.00 ATOM 820 OE1 GLU 119 40.211 27.075 21.079 1.00 0.00 ATOM 821 OE2 GLU 119 42.215 27.009 20.175 1.00 0.00 ATOM 822 O GLU 119 39.448 32.350 22.791 1.00 0.00 ATOM 823 C GLU 119 40.606 32.264 22.388 1.00 0.00 ATOM 824 N MET 120 41.212 33.248 21.736 1.00 0.00 ATOM 825 CA MET 120 40.492 34.464 21.379 1.00 0.00 ATOM 826 CB MET 120 41.446 35.662 21.332 1.00 0.00 ATOM 827 CG MET 120 42.048 36.023 22.678 1.00 0.00 ATOM 828 SD MET 120 43.180 37.595 22.619 1.00 0.00 ATOM 829 CE MET 120 44.829 36.746 22.075 1.00 0.00 ATOM 830 O MET 120 40.528 34.475 18.973 1.00 0.00 ATOM 831 C MET 120 39.911 34.176 19.997 1.00 0.00 ATOM 832 N LYS 121 38.726 33.579 19.982 1.00 0.00 ATOM 833 CA LYS 121 38.064 33.201 18.739 1.00 0.00 ATOM 834 CB LYS 121 36.775 32.437 19.053 1.00 0.00 ATOM 835 CG LYS 121 37.013 31.127 19.796 1.00 0.00 ATOM 836 CD LYS 121 35.702 30.445 20.157 1.00 0.00 ATOM 837 CE LYS 121 35.938 29.135 20.895 1.00 0.00 ATOM 838 NZ LYS 121 34.655 28.470 21.280 1.00 0.00 ATOM 839 O LYS 121 37.788 34.131 16.552 1.00 0.00 ATOM 840 C LYS 121 37.773 34.339 17.761 1.00 0.00 ATOM 841 N ASN 122 37.515 35.537 18.268 1.00 0.00 ATOM 842 CA ASN 122 37.238 36.659 17.375 1.00 0.00 ATOM 843 CB ASN 122 36.525 37.773 18.134 1.00 0.00 ATOM 844 CG ASN 122 35.150 37.357 18.588 1.00 0.00 ATOM 845 ND2 ASN 122 34.703 37.885 19.718 1.00 0.00 ATOM 846 OD1 ASN 122 34.486 36.568 17.913 1.00 0.00 ATOM 847 O ASN 122 38.366 37.891 15.649 1.00 0.00 ATOM 848 C ASN 122 38.478 37.213 16.674 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 T0304.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0304)L77.C and (T0304)T78.C only 0 apart, marking (T0304)T78.C as missing WARNING: atoms too close: (T0304)T78.N and (T0304)S79.N only 0 apart, marking (T0304)T78.N as missing WARNING: atoms too close: (T0304)T78.CA and (T0304)S79.CA only 0 apart, marking (T0304)T78.CA as missing WARNING: atoms too close: (T0304)N83.C and (T0304)R85.C only 0 apart, marking (T0304)R85.C as missing WARNING: atoms too close: (T0304)P84.N and (T0304)H86.N only 0 apart, marking (T0304)P84.N as missing WARNING: atoms too close: (T0304)P84.CA and (T0304)H86.CA only 0 apart, marking (T0304)P84.CA as missing WARNING: atoms too close: (T0304)H88.C and (T0304)A94.C only 0 apart, marking (T0304)A94.C as missing WARNING: atoms too close: (T0304)T89.N and (T0304)K95.N only 0 apart, marking (T0304)T89.N as missing WARNING: atoms too close: (T0304)T89.CA and (T0304)K95.CA only 0 apart, marking (T0304)T89.CA as missing # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.514 # GDT_score = -20.561 # GDT_score(maxd=8.000,maxw=2.900)= -18.751 # GDT_score(maxd=8.000,maxw=3.200)= -18.220 # GDT_score(maxd=8.000,maxw=3.500)= -17.720 # GDT_score(maxd=10.000,maxw=3.800)= -19.409 # GDT_score(maxd=10.000,maxw=4.000)= -19.046 # GDT_score(maxd=10.000,maxw=4.200)= -18.717 # GDT_score(maxd=12.000,maxw=4.300)= -20.435 # GDT_score(maxd=12.000,maxw=4.500)= -20.063 # GDT_score(maxd=12.000,maxw=4.700)= -19.687 # GDT_score(maxd=14.000,maxw=5.200)= -20.365 # GDT_score(maxd=14.000,maxw=5.500)= -19.802 # command:# ReadConformPDB reading from PDB file T0304.undertaker-align.pdb looking for model 2 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.477 # GDT_score = -17.056 # GDT_score(maxd=8.000,maxw=2.900)= -16.368 # GDT_score(maxd=8.000,maxw=3.200)= -15.885 # GDT_score(maxd=8.000,maxw=3.500)= -15.422 # GDT_score(maxd=10.000,maxw=3.800)= -16.590 # GDT_score(maxd=10.000,maxw=4.000)= -16.275 # GDT_score(maxd=10.000,maxw=4.200)= -15.946 # GDT_score(maxd=12.000,maxw=4.300)= -17.482 # GDT_score(maxd=12.000,maxw=4.500)= -17.120 # GDT_score(maxd=12.000,maxw=4.700)= -16.763 # GDT_score(maxd=14.000,maxw=5.200)= -17.331 # GDT_score(maxd=14.000,maxw=5.500)= -16.823 # command:# ReadConformPDB reading from PDB file T0304.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0304)S79.C and (T0304)L82.C only 0 apart, marking (T0304)L82.C as missing WARNING: atoms too close: (T0304)G80.N and (T0304)N83.N only 0 apart, marking (T0304)G80.N as missing WARNING: atoms too close: (T0304)G80.CA and (T0304)N83.CA only 0 apart, marking (T0304)G80.CA as missing # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0304.undertaker-align.pdb looking for model 4 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0304.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0304)T25.C and (T0304)E37.C only 0 apart, marking (T0304)E37.C as missing WARNING: atoms too close: (T0304)V26.N and (T0304)G38.N only 0 apart, marking (T0304)V26.N as missing WARNING: atoms too close: (T0304)V26.CA and (T0304)G38.CA only 0 apart, marking (T0304)V26.CA as missing WARNING: atoms too close: (T0304)R47.C and (T0304)L53.C only 0 apart, marking (T0304)L53.C as missing WARNING: atoms too close: (T0304)A48.N and (T0304)F54.N only 0 apart, marking (T0304)A48.N as missing WARNING: atoms too close: (T0304)A48.CA and (T0304)F54.CA only 0 apart, marking (T0304)A48.CA as missing WARNING: atoms too close: (T0304)D63.C and (T0304)P67.C only 0 apart, marking (T0304)P67.C as missing WARNING: atoms too close: (T0304)Q64.N and (T0304)L68.N only 0 apart, marking (T0304)Q64.N as missing WARNING: atoms too close: (T0304)Q64.CA and (T0304)L68.CA only 0 apart, marking (T0304)Q64.CA as missing WARNING: atoms too close: (T0304)H88.C and (T0304)L92.C only 0 apart, marking (T0304)L92.C as missing WARNING: atoms too close: (T0304)T89.N and (T0304)Y93.N only 0 apart, marking (T0304)T89.N as missing WARNING: atoms too close: (T0304)T89.CA and (T0304)Y93.CA only 0 apart, marking (T0304)T89.CA as missing WARNING: atoms too close: (T0304)T103.C and (T0304)L104.C only 0 apart, marking (T0304)L104.C as missing WARNING: atoms too close: (T0304)L104.N and (T0304)S105.N only 0 apart, marking (T0304)L104.N as missing WARNING: atoms too close: (T0304)L104.CA and (T0304)S105.CA only 0 apart, marking (T0304)L104.CA as missing # WARNING: incomplete conformation T0304 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 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try1-opt2.gromacs0.pdb.gz looking for model 1 Error: Reading chain from PDB file T0304.try1-opt2.gromacs0.pdb.gz failed. # ReadConformPDB reading from PDB file T0304.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 112 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 112 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try11-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try11-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try12-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try13-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try13-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try14-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try14-opt1.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try14-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try14-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try14-opt2.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try14-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try16-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 108 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try16-opt1.pdb.gz looking for model 1 # Found a chain break before 108 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try16-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 108 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try16-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 108 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try16-opt2.pdb.gz looking for model 1 # Found a chain break before 108 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try16-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 108 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try17-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try17-opt1.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try17-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try17-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try17-opt2.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try17-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try18-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 107 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try18-opt1.pdb.gz looking for model 1 # Found a chain break before 107 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try18-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 107 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try18-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 107 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try18-opt2.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try18-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try19-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try19-opt1.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try19-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 114 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try19-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 114 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try19-opt2.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try19-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try2-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0304.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try20-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try20-opt1.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try20-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try20-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try20-opt2.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try20-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try21-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try21-opt1.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try21-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try21-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try21-opt2.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try21-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try22-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try22-opt1.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try22-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try22-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try22-opt2.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try22-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try23-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try23-opt1.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try23-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try23-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try23-opt2.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try23-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try24-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try24-opt1.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try24-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try24-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try24-opt2.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try24-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try25-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try25-opt1.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try25-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try25-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 Error: Reading chain from PDB file T0304.try25-opt2.gromacs0.repack-nonPC.pdb.gz failed. # ReadConformPDB reading from PDB file T0304.try25-opt2.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try26-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try26-opt1.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try26-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try26-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try26-opt2.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try26-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try27-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try27-opt1.pdb.gz looking for model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try27-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0304.try27-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0304.try27-opt2.pdb.gz looking for model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try27-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try28-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try28-opt1.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try28-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try28-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try28-opt2.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try28-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try29-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 108 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try29-opt1.pdb.gz looking for model 1 # Found a chain break before 108 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try29-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 80 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try29-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 80 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try29-opt2.pdb.gz looking for model 1 # Found a chain break before 108 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try29-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 108 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 107 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 107 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 107 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 107 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try30-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try30-opt1.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try30-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try30-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try30-opt2.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try30-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try31-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try31-opt1.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try31-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try31-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try31-opt2.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try31-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try32-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try32-opt1.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try32-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try32-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try32-opt2.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try32-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try33-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try33-opt1.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try33-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 80 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try33-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 80 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try33-opt2.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try33-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try34-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try34-opt1.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try34-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try34-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try34-opt2.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try34-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try35-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try35-opt1.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try35-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try35-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try35-opt2.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try35-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try4-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0304.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 50 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 50 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 114 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 114 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 114 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 114 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 114 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 114 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0304.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_2107395396.pdb -s /var/tmp/to_scwrl_2107395396.seq -o /var/tmp/from_scwrl_2107395396.pdb > /var/tmp/scwrl_2107395396.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2107395396.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_505754093.pdb -s /var/tmp/to_scwrl_505754093.seq -o /var/tmp/from_scwrl_505754093.pdb > /var/tmp/scwrl_505754093.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_505754093.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS3.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1177620956.pdb -s /var/tmp/to_scwrl_1177620956.seq -o /var/tmp/from_scwrl_1177620956.pdb > /var/tmp/scwrl_1177620956.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1177620956.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_2134354747.pdb -s /var/tmp/to_scwrl_2134354747.seq -o /var/tmp/from_scwrl_2134354747.pdb > /var/tmp/scwrl_2134354747.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2134354747.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_911582148.pdb -s /var/tmp/to_scwrl_911582148.seq -o /var/tmp/from_scwrl_911582148.pdb > /var/tmp/scwrl_911582148.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_911582148.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS5-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1449670847.pdb -s /var/tmp/to_scwrl_1449670847.seq -o /var/tmp/from_scwrl_1449670847.pdb > /var/tmp/scwrl_1449670847.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1449670847.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_959275266.pdb -s /var/tmp/to_scwrl_959275266.seq -o /var/tmp/from_scwrl_959275266.pdb > /var/tmp/scwrl_959275266.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_959275266.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_908970522.pdb -s /var/tmp/to_scwrl_908970522.seq -o /var/tmp/from_scwrl_908970522.pdb > /var/tmp/scwrl_908970522.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_908970522.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1955081013.pdb -s /var/tmp/to_scwrl_1955081013.seq -o /var/tmp/from_scwrl_1955081013.pdb > /var/tmp/scwrl_1955081013.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1955081013.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_84229147.pdb -s /var/tmp/to_scwrl_84229147.seq -o /var/tmp/from_scwrl_84229147.pdb > /var/tmp/scwrl_84229147.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_84229147.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS5-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS1.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_2022244170.pdb -s /var/tmp/to_scwrl_2022244170.seq -o /var/tmp/from_scwrl_2022244170.pdb > /var/tmp/scwrl_2022244170.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2022244170.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_727014739.pdb -s /var/tmp/to_scwrl_727014739.seq -o /var/tmp/from_scwrl_727014739.pdb > /var/tmp/scwrl_727014739.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_727014739.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_695171947.pdb -s /var/tmp/to_scwrl_695171947.seq -o /var/tmp/from_scwrl_695171947.pdb > /var/tmp/scwrl_695171947.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_695171947.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1530362588.pdb -s /var/tmp/to_scwrl_1530362588.seq -o /var/tmp/from_scwrl_1530362588.pdb > /var/tmp/scwrl_1530362588.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1530362588.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_2042835592.pdb -s /var/tmp/to_scwrl_2042835592.seq -o /var/tmp/from_scwrl_2042835592.pdb > /var/tmp/scwrl_2042835592.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2042835592.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS5-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_662588477.pdb -s /var/tmp/to_scwrl_662588477.seq -o /var/tmp/from_scwrl_662588477.pdb > /var/tmp/scwrl_662588477.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_662588477.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS2.pdb.gz looking for model 1 # Found a chain break before 114 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1665686805.pdb -s /var/tmp/to_scwrl_1665686805.seq -o /var/tmp/from_scwrl_1665686805.pdb > /var/tmp/scwrl_1665686805.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1665686805.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS3.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1151981638.pdb -s /var/tmp/to_scwrl_1151981638.seq -o /var/tmp/from_scwrl_1151981638.pdb > /var/tmp/scwrl_1151981638.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1151981638.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS4.pdb.gz looking for model 1 # Found a chain break before 22 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1933588940.pdb -s /var/tmp/to_scwrl_1933588940.seq -o /var/tmp/from_scwrl_1933588940.pdb > /var/tmp/scwrl_1933588940.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1933588940.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS5.pdb.gz looking for model 1 # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_2111964242.pdb -s /var/tmp/to_scwrl_2111964242.seq -o /var/tmp/from_scwrl_2111964242.pdb > /var/tmp/scwrl_2111964242.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2111964242.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS1.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_657838405.pdb -s /var/tmp/to_scwrl_657838405.seq -o /var/tmp/from_scwrl_657838405.pdb > /var/tmp/scwrl_657838405.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_657838405.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS2.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1659363720.pdb -s /var/tmp/to_scwrl_1659363720.seq -o /var/tmp/from_scwrl_1659363720.pdb > /var/tmp/scwrl_1659363720.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1659363720.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS3.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_957177020.pdb -s /var/tmp/to_scwrl_957177020.seq -o /var/tmp/from_scwrl_957177020.pdb > /var/tmp/scwrl_957177020.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_957177020.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS4.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_725519395.pdb -s /var/tmp/to_scwrl_725519395.seq -o /var/tmp/from_scwrl_725519395.pdb > /var/tmp/scwrl_725519395.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_725519395.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS5.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_783744119.pdb -s /var/tmp/to_scwrl_783744119.seq -o /var/tmp/from_scwrl_783744119.pdb > /var/tmp/scwrl_783744119.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_783744119.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/BayesHH_TS1.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_13497316.pdb -s /var/tmp/to_scwrl_13497316.seq -o /var/tmp/from_scwrl_13497316.pdb > /var/tmp/scwrl_13497316.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_13497316.pdb # conformation set from SCWRL output # naming current conformation BayesHH_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS1.pdb.gz looking for model 1 # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1961984976.pdb -s /var/tmp/to_scwrl_1961984976.seq -o /var/tmp/from_scwrl_1961984976.pdb > /var/tmp/scwrl_1961984976.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1961984976.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS2.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1057442509.pdb -s /var/tmp/to_scwrl_1057442509.seq -o /var/tmp/from_scwrl_1057442509.pdb > /var/tmp/scwrl_1057442509.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1057442509.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS3.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1715510801.pdb -s /var/tmp/to_scwrl_1715510801.seq -o /var/tmp/from_scwrl_1715510801.pdb > /var/tmp/scwrl_1715510801.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1715510801.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS4.pdb.gz looking for model 1 # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1447397728.pdb -s /var/tmp/to_scwrl_1447397728.seq -o /var/tmp/from_scwrl_1447397728.pdb > /var/tmp/scwrl_1447397728.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1447397728.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS5.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_644955084.pdb -s /var/tmp/to_scwrl_644955084.seq -o /var/tmp/from_scwrl_644955084.pdb > /var/tmp/scwrl_644955084.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_644955084.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1675422551.pdb -s /var/tmp/to_scwrl_1675422551.seq -o /var/tmp/from_scwrl_1675422551.pdb > /var/tmp/scwrl_1675422551.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1675422551.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1953151822.pdb -s /var/tmp/to_scwrl_1953151822.seq -o /var/tmp/from_scwrl_1953151822.pdb > /var/tmp/scwrl_1953151822.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1953151822.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1822576040.pdb -s /var/tmp/to_scwrl_1822576040.seq -o /var/tmp/from_scwrl_1822576040.pdb > /var/tmp/scwrl_1822576040.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1822576040.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1662293651.pdb -s /var/tmp/to_scwrl_1662293651.seq -o /var/tmp/from_scwrl_1662293651.pdb > /var/tmp/scwrl_1662293651.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1662293651.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_717250323.pdb -s /var/tmp/to_scwrl_717250323.seq -o /var/tmp/from_scwrl_717250323.pdb > /var/tmp/scwrl_717250323.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_717250323.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1124763240.pdb -s /var/tmp/to_scwrl_1124763240.seq -o /var/tmp/from_scwrl_1124763240.pdb > /var/tmp/scwrl_1124763240.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1124763240.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_474085270.pdb -s /var/tmp/to_scwrl_474085270.seq -o /var/tmp/from_scwrl_474085270.pdb > /var/tmp/scwrl_474085270.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_474085270.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS2-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1626220845.pdb -s /var/tmp/to_scwrl_1626220845.seq -o /var/tmp/from_scwrl_1626220845.pdb > /var/tmp/scwrl_1626220845.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1626220845.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS3-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS4.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_932360607.pdb -s /var/tmp/to_scwrl_932360607.seq -o /var/tmp/from_scwrl_932360607.pdb > /var/tmp/scwrl_932360607.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_932360607.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS4-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS5.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_558314418.pdb -s /var/tmp/to_scwrl_558314418.seq -o /var/tmp/from_scwrl_558314418.pdb > /var/tmp/scwrl_558314418.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_558314418.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS5-scwrl # ReadConformPDB reading from PDB file servers/Distill_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1500981368.pdb -s /var/tmp/to_scwrl_1500981368.seq -o /var/tmp/from_scwrl_1500981368.pdb > /var/tmp/scwrl_1500981368.log Error: Couldn't open file /var/tmp/from_scwrl_1500981368.pdb or /var/tmp/from_scwrl_1500981368.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1500981368_b.pdb or decoys//var/tmp/from_scwrl_1500981368_b.pdb.gz for input Trying /var/tmp/from_scwrl_1500981368_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1500981368_b.pdb or /var/tmp/from_scwrl_1500981368_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1500981368_a.pdb or decoys//var/tmp/from_scwrl_1500981368_a.pdb.gz for input Trying /var/tmp/from_scwrl_1500981368_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1500981368_a.pdb or /var/tmp/from_scwrl_1500981368_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1500981368.pdb or /var/tmp/from_scwrl_1500981368_b.pdb or /var/tmp/from_scwrl_1500981368_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 T0304 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1659375345.pdb -s /var/tmp/to_scwrl_1659375345.seq -o /var/tmp/from_scwrl_1659375345.pdb > /var/tmp/scwrl_1659375345.log Error: Couldn't open file /var/tmp/from_scwrl_1659375345.pdb or /var/tmp/from_scwrl_1659375345.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1659375345_b.pdb or decoys//var/tmp/from_scwrl_1659375345_b.pdb.gz for input Trying /var/tmp/from_scwrl_1659375345_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1659375345_b.pdb or /var/tmp/from_scwrl_1659375345_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1659375345_a.pdb or decoys//var/tmp/from_scwrl_1659375345_a.pdb.gz for input Trying /var/tmp/from_scwrl_1659375345_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1659375345_a.pdb or /var/tmp/from_scwrl_1659375345_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1659375345.pdb or /var/tmp/from_scwrl_1659375345_b.pdb or /var/tmp/from_scwrl_1659375345_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 T0304 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1253486364.pdb -s /var/tmp/to_scwrl_1253486364.seq -o /var/tmp/from_scwrl_1253486364.pdb > /var/tmp/scwrl_1253486364.log Error: Couldn't open file /var/tmp/from_scwrl_1253486364.pdb or /var/tmp/from_scwrl_1253486364.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1253486364_b.pdb or decoys//var/tmp/from_scwrl_1253486364_b.pdb.gz for input Trying /var/tmp/from_scwrl_1253486364_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1253486364_b.pdb or /var/tmp/from_scwrl_1253486364_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1253486364_a.pdb or decoys//var/tmp/from_scwrl_1253486364_a.pdb.gz for input Trying /var/tmp/from_scwrl_1253486364_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1253486364_a.pdb or /var/tmp/from_scwrl_1253486364_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1253486364.pdb or /var/tmp/from_scwrl_1253486364_b.pdb or /var/tmp/from_scwrl_1253486364_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 T0304 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_883860311.pdb -s /var/tmp/to_scwrl_883860311.seq -o /var/tmp/from_scwrl_883860311.pdb > /var/tmp/scwrl_883860311.log Error: Couldn't open file /var/tmp/from_scwrl_883860311.pdb or /var/tmp/from_scwrl_883860311.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_883860311_b.pdb or decoys//var/tmp/from_scwrl_883860311_b.pdb.gz for input Trying /var/tmp/from_scwrl_883860311_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_883860311_b.pdb or /var/tmp/from_scwrl_883860311_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_883860311_a.pdb or decoys//var/tmp/from_scwrl_883860311_a.pdb.gz for input Trying /var/tmp/from_scwrl_883860311_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_883860311_a.pdb or /var/tmp/from_scwrl_883860311_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_883860311.pdb or /var/tmp/from_scwrl_883860311_b.pdb or /var/tmp/from_scwrl_883860311_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 T0304 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1554727290.pdb -s /var/tmp/to_scwrl_1554727290.seq -o /var/tmp/from_scwrl_1554727290.pdb > /var/tmp/scwrl_1554727290.log Error: Couldn't open file /var/tmp/from_scwrl_1554727290.pdb or /var/tmp/from_scwrl_1554727290.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1554727290_b.pdb or decoys//var/tmp/from_scwrl_1554727290_b.pdb.gz for input Trying /var/tmp/from_scwrl_1554727290_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1554727290_b.pdb or /var/tmp/from_scwrl_1554727290_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1554727290_a.pdb or decoys//var/tmp/from_scwrl_1554727290_a.pdb.gz for input Trying /var/tmp/from_scwrl_1554727290_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1554727290_a.pdb or /var/tmp/from_scwrl_1554727290_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1554727290.pdb or /var/tmp/from_scwrl_1554727290_b.pdb or /var/tmp/from_scwrl_1554727290_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 117 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1916074842.pdb -s /var/tmp/to_scwrl_1916074842.seq -o /var/tmp/from_scwrl_1916074842.pdb > /var/tmp/scwrl_1916074842.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1916074842.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_402063469.pdb -s /var/tmp/to_scwrl_402063469.seq -o /var/tmp/from_scwrl_402063469.pdb > /var/tmp/scwrl_402063469.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_402063469.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_559225282.pdb -s /var/tmp/to_scwrl_559225282.seq -o /var/tmp/from_scwrl_559225282.pdb > /var/tmp/scwrl_559225282.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_559225282.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS4.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1702180135.pdb -s /var/tmp/to_scwrl_1702180135.seq -o /var/tmp/from_scwrl_1702180135.pdb > /var/tmp/scwrl_1702180135.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1702180135.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_366544064.pdb -s /var/tmp/to_scwrl_366544064.seq -o /var/tmp/from_scwrl_366544064.pdb > /var/tmp/scwrl_366544064.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_366544064.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS5-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS1.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1217063686.pdb -s /var/tmp/to_scwrl_1217063686.seq -o /var/tmp/from_scwrl_1217063686.pdb > /var/tmp/scwrl_1217063686.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1217063686.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1214060208.pdb -s /var/tmp/to_scwrl_1214060208.seq -o /var/tmp/from_scwrl_1214060208.pdb > /var/tmp/scwrl_1214060208.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1214060208.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1323721084.pdb -s /var/tmp/to_scwrl_1323721084.seq -o /var/tmp/from_scwrl_1323721084.pdb > /var/tmp/scwrl_1323721084.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1323721084.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1942583082.pdb -s /var/tmp/to_scwrl_1942583082.seq -o /var/tmp/from_scwrl_1942583082.pdb > /var/tmp/scwrl_1942583082.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1942583082.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1997804327.pdb -s /var/tmp/to_scwrl_1997804327.seq -o /var/tmp/from_scwrl_1997804327.pdb > /var/tmp/scwrl_1997804327.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1997804327.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS5-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS1.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1337218400.pdb -s /var/tmp/to_scwrl_1337218400.seq -o /var/tmp/from_scwrl_1337218400.pdb > /var/tmp/scwrl_1337218400.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1337218400.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS2.pdb.gz looking for model 1 # Found a chain break before 69 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1757084411.pdb -s /var/tmp/to_scwrl_1757084411.seq -o /var/tmp/from_scwrl_1757084411.pdb > /var/tmp/scwrl_1757084411.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1757084411.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS3.pdb.gz looking for model 1 # Found a chain break before 90 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_907763190.pdb -s /var/tmp/to_scwrl_907763190.seq -o /var/tmp/from_scwrl_907763190.pdb > /var/tmp/scwrl_907763190.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_907763190.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS4.pdb.gz looking for model 1 # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_905245555.pdb -s /var/tmp/to_scwrl_905245555.seq -o /var/tmp/from_scwrl_905245555.pdb > /var/tmp/scwrl_905245555.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_905245555.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS5.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1056998493.pdb -s /var/tmp/to_scwrl_1056998493.seq -o /var/tmp/from_scwrl_1056998493.pdb > /var/tmp/scwrl_1056998493.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1056998493.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1552718273.pdb -s /var/tmp/to_scwrl_1552718273.seq -o /var/tmp/from_scwrl_1552718273.pdb > /var/tmp/scwrl_1552718273.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1552718273.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL2.pdb.gz looking for model 1 Skipped atom 25, because occupancy 1 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 26, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 27, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 28, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 121, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 122, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 123, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 124, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 449, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 450, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 451, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 452, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_433184459.pdb -s /var/tmp/to_scwrl_433184459.seq -o /var/tmp/from_scwrl_433184459.pdb > /var/tmp/scwrl_433184459.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_433184459.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_862666668.pdb -s /var/tmp/to_scwrl_862666668.seq -o /var/tmp/from_scwrl_862666668.pdb > /var/tmp/scwrl_862666668.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_862666668.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL3-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1227810667.pdb -s /var/tmp/to_scwrl_1227810667.seq -o /var/tmp/from_scwrl_1227810667.pdb > /var/tmp/scwrl_1227810667.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1227810667.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL4-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_2095478110.pdb -s /var/tmp/to_scwrl_2095478110.seq -o /var/tmp/from_scwrl_2095478110.pdb > /var/tmp/scwrl_2095478110.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2095478110.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL5-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1579916991.pdb -s /var/tmp/to_scwrl_1579916991.seq -o /var/tmp/from_scwrl_1579916991.pdb > /var/tmp/scwrl_1579916991.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1579916991.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL2.pdb.gz looking for model 1 Skipped atom 25, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 26, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 27, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 28, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 121, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 122, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 123, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 124, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 449, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 450, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 451, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 452, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_205090261.pdb -s /var/tmp/to_scwrl_205090261.seq -o /var/tmp/from_scwrl_205090261.pdb > /var/tmp/scwrl_205090261.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_205090261.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_422079734.pdb -s /var/tmp/to_scwrl_422079734.seq -o /var/tmp/from_scwrl_422079734.pdb > /var/tmp/scwrl_422079734.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_422079734.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL3-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1058654190.pdb -s /var/tmp/to_scwrl_1058654190.seq -o /var/tmp/from_scwrl_1058654190.pdb > /var/tmp/scwrl_1058654190.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1058654190.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL4-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1137450868.pdb -s /var/tmp/to_scwrl_1137450868.seq -o /var/tmp/from_scwrl_1137450868.pdb > /var/tmp/scwrl_1137450868.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1137450868.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL5-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS1.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_980394152.pdb -s /var/tmp/to_scwrl_980394152.seq -o /var/tmp/from_scwrl_980394152.pdb > /var/tmp/scwrl_980394152.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_980394152.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS1-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS2.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_412151911.pdb -s /var/tmp/to_scwrl_412151911.seq -o /var/tmp/from_scwrl_412151911.pdb > /var/tmp/scwrl_412151911.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_412151911.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS2-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS3.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_649342567.pdb -s /var/tmp/to_scwrl_649342567.seq -o /var/tmp/from_scwrl_649342567.pdb > /var/tmp/scwrl_649342567.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_649342567.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS3-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS4.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_86396869.pdb -s /var/tmp/to_scwrl_86396869.seq -o /var/tmp/from_scwrl_86396869.pdb > /var/tmp/scwrl_86396869.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_86396869.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS4-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS5.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1296012221.pdb -s /var/tmp/to_scwrl_1296012221.seq -o /var/tmp/from_scwrl_1296012221.pdb > /var/tmp/scwrl_1296012221.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1296012221.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_56586211.pdb -s /var/tmp/to_scwrl_56586211.seq -o /var/tmp/from_scwrl_56586211.pdb > /var/tmp/scwrl_56586211.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_56586211.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_2002471711.pdb -s /var/tmp/to_scwrl_2002471711.seq -o /var/tmp/from_scwrl_2002471711.pdb > /var/tmp/scwrl_2002471711.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2002471711.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1698075690.pdb -s /var/tmp/to_scwrl_1698075690.seq -o /var/tmp/from_scwrl_1698075690.pdb > /var/tmp/scwrl_1698075690.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1698075690.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_615811493.pdb -s /var/tmp/to_scwrl_615811493.seq -o /var/tmp/from_scwrl_615811493.pdb > /var/tmp/scwrl_615811493.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_615811493.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1557168199.pdb -s /var/tmp/to_scwrl_1557168199.seq -o /var/tmp/from_scwrl_1557168199.pdb > /var/tmp/scwrl_1557168199.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1557168199.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_2064619755.pdb -s /var/tmp/to_scwrl_2064619755.seq -o /var/tmp/from_scwrl_2064619755.pdb > /var/tmp/scwrl_2064619755.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2064619755.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL1-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1832875180.pdb -s /var/tmp/to_scwrl_1832875180.seq -o /var/tmp/from_scwrl_1832875180.pdb > /var/tmp/scwrl_1832875180.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1832875180.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL2-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_623744762.pdb -s /var/tmp/to_scwrl_623744762.seq -o /var/tmp/from_scwrl_623744762.pdb > /var/tmp/scwrl_623744762.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_623744762.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL3-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1240857192.pdb -s /var/tmp/to_scwrl_1240857192.seq -o /var/tmp/from_scwrl_1240857192.pdb > /var/tmp/scwrl_1240857192.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1240857192.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL4-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1627974615.pdb -s /var/tmp/to_scwrl_1627974615.seq -o /var/tmp/from_scwrl_1627974615.pdb > /var/tmp/scwrl_1627974615.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1627974615.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL5-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_474065442.pdb -s /var/tmp/to_scwrl_474065442.seq -o /var/tmp/from_scwrl_474065442.pdb > /var/tmp/scwrl_474065442.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_474065442.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS2.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_430591946.pdb -s /var/tmp/to_scwrl_430591946.seq -o /var/tmp/from_scwrl_430591946.pdb > /var/tmp/scwrl_430591946.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_430591946.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS3.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1237575379.pdb -s /var/tmp/to_scwrl_1237575379.seq -o /var/tmp/from_scwrl_1237575379.pdb > /var/tmp/scwrl_1237575379.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1237575379.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS4.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1381828631.pdb -s /var/tmp/to_scwrl_1381828631.seq -o /var/tmp/from_scwrl_1381828631.pdb > /var/tmp/scwrl_1381828631.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1381828631.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS5.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1335837500.pdb -s /var/tmp/to_scwrl_1335837500.seq -o /var/tmp/from_scwrl_1335837500.pdb > /var/tmp/scwrl_1335837500.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1335837500.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # Found a chain break before 51 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_147090225.pdb -s /var/tmp/to_scwrl_147090225.seq -o /var/tmp/from_scwrl_147090225.pdb > /var/tmp/scwrl_147090225.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_147090225.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS1-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_787063259.pdb -s /var/tmp/to_scwrl_787063259.seq -o /var/tmp/from_scwrl_787063259.pdb > /var/tmp/scwrl_787063259.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_787063259.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1769021960.pdb -s /var/tmp/to_scwrl_1769021960.seq -o /var/tmp/from_scwrl_1769021960.pdb > /var/tmp/scwrl_1769021960.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1769021960.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS3-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1009756894.pdb -s /var/tmp/to_scwrl_1009756894.seq -o /var/tmp/from_scwrl_1009756894.pdb > /var/tmp/scwrl_1009756894.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1009756894.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_2014873926.pdb -s /var/tmp/to_scwrl_2014873926.seq -o /var/tmp/from_scwrl_2014873926.pdb > /var/tmp/scwrl_2014873926.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2014873926.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS5-scwrl # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1717016423.pdb -s /var/tmp/to_scwrl_1717016423.seq -o /var/tmp/from_scwrl_1717016423.pdb > /var/tmp/scwrl_1717016423.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1717016423.pdb # conformation set from SCWRL output # naming current conformation HHpred1_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred2_TS1.pdb.gz looking for model 1 # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_442190238.pdb -s /var/tmp/to_scwrl_442190238.seq -o /var/tmp/from_scwrl_442190238.pdb > /var/tmp/scwrl_442190238.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_442190238.pdb # conformation set from SCWRL output # naming current conformation HHpred2_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred3_TS1.pdb.gz looking for model 1 # Found a chain break before 63 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_72480540.pdb -s /var/tmp/to_scwrl_72480540.seq -o /var/tmp/from_scwrl_72480540.pdb > /var/tmp/scwrl_72480540.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_72480540.pdb # conformation set from SCWRL output # naming current conformation HHpred3_TS1-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_2139096157.pdb -s /var/tmp/to_scwrl_2139096157.seq -o /var/tmp/from_scwrl_2139096157.pdb > /var/tmp/scwrl_2139096157.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2139096157.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1500844427.pdb -s /var/tmp/to_scwrl_1500844427.seq -o /var/tmp/from_scwrl_1500844427.pdb > /var/tmp/scwrl_1500844427.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1500844427.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS2-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1209931408.pdb -s /var/tmp/to_scwrl_1209931408.seq -o /var/tmp/from_scwrl_1209931408.pdb > /var/tmp/scwrl_1209931408.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1209931408.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS3-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_972006662.pdb -s /var/tmp/to_scwrl_972006662.seq -o /var/tmp/from_scwrl_972006662.pdb > /var/tmp/scwrl_972006662.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_972006662.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS4-scwrl # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1912996338.pdb -s /var/tmp/to_scwrl_1912996338.seq -o /var/tmp/from_scwrl_1912996338.pdb > /var/tmp/scwrl_1912996338.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1912996338.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS5-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1859273976.pdb -s /var/tmp/to_scwrl_1859273976.seq -o /var/tmp/from_scwrl_1859273976.pdb > /var/tmp/scwrl_1859273976.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1859273976.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS1-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1058403532.pdb -s /var/tmp/to_scwrl_1058403532.seq -o /var/tmp/from_scwrl_1058403532.pdb > /var/tmp/scwrl_1058403532.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1058403532.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS2-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1061524914.pdb -s /var/tmp/to_scwrl_1061524914.seq -o /var/tmp/from_scwrl_1061524914.pdb > /var/tmp/scwrl_1061524914.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1061524914.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS3-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1915860187.pdb -s /var/tmp/to_scwrl_1915860187.seq -o /var/tmp/from_scwrl_1915860187.pdb > /var/tmp/scwrl_1915860187.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1915860187.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS4-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_913391596.pdb -s /var/tmp/to_scwrl_913391596.seq -o /var/tmp/from_scwrl_913391596.pdb > /var/tmp/scwrl_913391596.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_913391596.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/MIG_FROST_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_612116957.pdb -s /var/tmp/to_scwrl_612116957.seq -o /var/tmp/from_scwrl_612116957.pdb > /var/tmp/scwrl_612116957.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_612116957.pdb # conformation set from SCWRL output # naming current conformation MIG_FROST_AL1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_384188033.pdb -s /var/tmp/to_scwrl_384188033.seq -o /var/tmp/from_scwrl_384188033.pdb > /var/tmp/scwrl_384188033.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_384188033.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS2.pdb.gz looking for model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_323076149.pdb -s /var/tmp/to_scwrl_323076149.seq -o /var/tmp/from_scwrl_323076149.pdb > /var/tmp/scwrl_323076149.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_323076149.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS3.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_529253065.pdb -s /var/tmp/to_scwrl_529253065.seq -o /var/tmp/from_scwrl_529253065.pdb > /var/tmp/scwrl_529253065.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_529253065.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS4.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_69579566.pdb -s /var/tmp/to_scwrl_69579566.seq -o /var/tmp/from_scwrl_69579566.pdb > /var/tmp/scwrl_69579566.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_69579566.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS5.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_946820911.pdb -s /var/tmp/to_scwrl_946820911.seq -o /var/tmp/from_scwrl_946820911.pdb > /var/tmp/scwrl_946820911.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_946820911.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS5-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS1.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1770110257.pdb -s /var/tmp/to_scwrl_1770110257.seq -o /var/tmp/from_scwrl_1770110257.pdb > /var/tmp/scwrl_1770110257.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1770110257.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS1-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS2.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1697554181.pdb -s /var/tmp/to_scwrl_1697554181.seq -o /var/tmp/from_scwrl_1697554181.pdb > /var/tmp/scwrl_1697554181.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1697554181.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS2-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS3.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1420886352.pdb -s /var/tmp/to_scwrl_1420886352.seq -o /var/tmp/from_scwrl_1420886352.pdb > /var/tmp/scwrl_1420886352.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1420886352.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS3-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS4.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_53218556.pdb -s /var/tmp/to_scwrl_53218556.seq -o /var/tmp/from_scwrl_53218556.pdb > /var/tmp/scwrl_53218556.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_53218556.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS4-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS5.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_787645914.pdb -s /var/tmp/to_scwrl_787645914.seq -o /var/tmp/from_scwrl_787645914.pdb > /var/tmp/scwrl_787645914.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_787645914.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS5-scwrl # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_655231338.pdb -s /var/tmp/to_scwrl_655231338.seq -o /var/tmp/from_scwrl_655231338.pdb > /var/tmp/scwrl_655231338.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_655231338.pdb # conformation set from SCWRL output # 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 85 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1389056057.pdb -s /var/tmp/to_scwrl_1389056057.seq -o /var/tmp/from_scwrl_1389056057.pdb > /var/tmp/scwrl_1389056057.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1389056057.pdb # conformation set from SCWRL output # 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 121 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_934736140.pdb -s /var/tmp/to_scwrl_934736140.seq -o /var/tmp/from_scwrl_934736140.pdb > /var/tmp/scwrl_934736140.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_934736140.pdb # conformation set from SCWRL output # 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 113 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1442294596.pdb -s /var/tmp/to_scwrl_1442294596.seq -o /var/tmp/from_scwrl_1442294596.pdb > /var/tmp/scwrl_1442294596.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1442294596.pdb # conformation set from SCWRL output # 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 45 < previous residue 122 in servers/POMYSL_TS4.pdb.gz # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1010594371.pdb -s /var/tmp/to_scwrl_1010594371.seq -o /var/tmp/from_scwrl_1010594371.pdb > /var/tmp/scwrl_1010594371.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1010594371.pdb # conformation set from SCWRL output # 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 84 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1944493033.pdb -s /var/tmp/to_scwrl_1944493033.seq -o /var/tmp/from_scwrl_1944493033.pdb > /var/tmp/scwrl_1944493033.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1944493033.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation PROTINFO-AB_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1309684875.pdb -s /var/tmp/to_scwrl_1309684875.seq -o /var/tmp/from_scwrl_1309684875.pdb > /var/tmp/scwrl_1309684875.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1309684875.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation PROTINFO-AB_TS2 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_580127147.pdb -s /var/tmp/to_scwrl_580127147.seq -o /var/tmp/from_scwrl_580127147.pdb > /var/tmp/scwrl_580127147.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_580127147.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation PROTINFO-AB_TS3 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_239199624.pdb -s /var/tmp/to_scwrl_239199624.seq -o /var/tmp/from_scwrl_239199624.pdb > /var/tmp/scwrl_239199624.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_239199624.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation PROTINFO-AB_TS4 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1382165415.pdb -s /var/tmp/to_scwrl_1382165415.seq -o /var/tmp/from_scwrl_1382165415.pdb > /var/tmp/scwrl_1382165415.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1382165415.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation PROTINFO-AB_TS5 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_571739658.pdb -s /var/tmp/to_scwrl_571739658.seq -o /var/tmp/from_scwrl_571739658.pdb > /var/tmp/scwrl_571739658.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_571739658.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1740044051.pdb -s /var/tmp/to_scwrl_1740044051.seq -o /var/tmp/from_scwrl_1740044051.pdb > /var/tmp/scwrl_1740044051.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1740044051.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_444613178.pdb -s /var/tmp/to_scwrl_444613178.seq -o /var/tmp/from_scwrl_444613178.pdb > /var/tmp/scwrl_444613178.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_444613178.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1543746319.pdb -s /var/tmp/to_scwrl_1543746319.seq -o /var/tmp/from_scwrl_1543746319.pdb > /var/tmp/scwrl_1543746319.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1543746319.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1505556742.pdb -s /var/tmp/to_scwrl_1505556742.seq -o /var/tmp/from_scwrl_1505556742.pdb > /var/tmp/scwrl_1505556742.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1505556742.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_156403507.pdb -s /var/tmp/to_scwrl_156403507.seq -o /var/tmp/from_scwrl_156403507.pdb > /var/tmp/scwrl_156403507.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_156403507.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # Found a chain break before 114 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_454666204.pdb -s /var/tmp/to_scwrl_454666204.seq -o /var/tmp/from_scwrl_454666204.pdb > /var/tmp/scwrl_454666204.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_454666204.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_419598009.pdb -s /var/tmp/to_scwrl_419598009.seq -o /var/tmp/from_scwrl_419598009.pdb > /var/tmp/scwrl_419598009.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_419598009.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS3.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_2072263694.pdb -s /var/tmp/to_scwrl_2072263694.seq -o /var/tmp/from_scwrl_2072263694.pdb > /var/tmp/scwrl_2072263694.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2072263694.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS4.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1368057800.pdb -s /var/tmp/to_scwrl_1368057800.seq -o /var/tmp/from_scwrl_1368057800.pdb > /var/tmp/scwrl_1368057800.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1368057800.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1031714967.pdb -s /var/tmp/to_scwrl_1031714967.seq -o /var/tmp/from_scwrl_1031714967.pdb > /var/tmp/scwrl_1031714967.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1031714967.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS5-scwrl # ReadConformPDB reading from PDB file servers/Phyre-1_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_308968080.pdb -s /var/tmp/to_scwrl_308968080.seq -o /var/tmp/from_scwrl_308968080.pdb > /var/tmp/scwrl_308968080.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_308968080.pdb # conformation set from SCWRL output # naming current conformation Phyre-1_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1691133949.pdb -s /var/tmp/to_scwrl_1691133949.seq -o /var/tmp/from_scwrl_1691133949.pdb > /var/tmp/scwrl_1691133949.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1691133949.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 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 110 ; scwrl3 -i /var/tmp/to_scwrl_1560968031.pdb -s /var/tmp/to_scwrl_1560968031.seq -o /var/tmp/from_scwrl_1560968031.pdb > /var/tmp/scwrl_1560968031.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1560968031.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 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 110 ; scwrl3 -i /var/tmp/to_scwrl_378547647.pdb -s /var/tmp/to_scwrl_378547647.seq -o /var/tmp/from_scwrl_378547647.pdb > /var/tmp/scwrl_378547647.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_378547647.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 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 110 ; scwrl3 -i /var/tmp/to_scwrl_490471213.pdb -s /var/tmp/to_scwrl_490471213.seq -o /var/tmp/from_scwrl_490471213.pdb > /var/tmp/scwrl_490471213.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_490471213.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1183594642.pdb -s /var/tmp/to_scwrl_1183594642.seq -o /var/tmp/from_scwrl_1183594642.pdb > /var/tmp/scwrl_1183594642.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1183594642.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_2076101828.pdb -s /var/tmp/to_scwrl_2076101828.seq -o /var/tmp/from_scwrl_2076101828.pdb > /var/tmp/scwrl_2076101828.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2076101828.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1911357565.pdb -s /var/tmp/to_scwrl_1911357565.seq -o /var/tmp/from_scwrl_1911357565.pdb > /var/tmp/scwrl_1911357565.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1911357565.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1236813198.pdb -s /var/tmp/to_scwrl_1236813198.seq -o /var/tmp/from_scwrl_1236813198.pdb > /var/tmp/scwrl_1236813198.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1236813198.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_716264096.pdb -s /var/tmp/to_scwrl_716264096.seq -o /var/tmp/from_scwrl_716264096.pdb > /var/tmp/scwrl_716264096.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_716264096.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # Found a chain break before 16 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_419105256.pdb -s /var/tmp/to_scwrl_419105256.seq -o /var/tmp/from_scwrl_419105256.pdb > /var/tmp/scwrl_419105256.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_419105256.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS1.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_478385609.pdb -s /var/tmp/to_scwrl_478385609.seq -o /var/tmp/from_scwrl_478385609.pdb > /var/tmp/scwrl_478385609.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_478385609.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS2.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1651000235.pdb -s /var/tmp/to_scwrl_1651000235.seq -o /var/tmp/from_scwrl_1651000235.pdb > /var/tmp/scwrl_1651000235.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1651000235.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS3.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1861399852.pdb -s /var/tmp/to_scwrl_1861399852.seq -o /var/tmp/from_scwrl_1861399852.pdb > /var/tmp/scwrl_1861399852.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1861399852.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS4.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1488979979.pdb -s /var/tmp/to_scwrl_1488979979.seq -o /var/tmp/from_scwrl_1488979979.pdb > /var/tmp/scwrl_1488979979.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1488979979.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS5.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1448009621.pdb -s /var/tmp/to_scwrl_1448009621.seq -o /var/tmp/from_scwrl_1448009621.pdb > /var/tmp/scwrl_1448009621.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1448009621.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS1.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1023601081.pdb -s /var/tmp/to_scwrl_1023601081.seq -o /var/tmp/from_scwrl_1023601081.pdb > /var/tmp/scwrl_1023601081.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1023601081.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS2.pdb.gz looking for model 1 # Found a chain break before 46 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_2069107127.pdb -s /var/tmp/to_scwrl_2069107127.seq -o /var/tmp/from_scwrl_2069107127.pdb > /var/tmp/scwrl_2069107127.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2069107127.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS3.pdb.gz looking for model 1 # Found a chain break before 107 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1687209245.pdb -s /var/tmp/to_scwrl_1687209245.seq -o /var/tmp/from_scwrl_1687209245.pdb > /var/tmp/scwrl_1687209245.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1687209245.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS4.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_258282850.pdb -s /var/tmp/to_scwrl_258282850.seq -o /var/tmp/from_scwrl_258282850.pdb > /var/tmp/scwrl_258282850.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_258282850.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS5.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_493363138.pdb -s /var/tmp/to_scwrl_493363138.seq -o /var/tmp/from_scwrl_493363138.pdb > /var/tmp/scwrl_493363138.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_493363138.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS1.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1279769649.pdb -s /var/tmp/to_scwrl_1279769649.seq -o /var/tmp/from_scwrl_1279769649.pdb > /var/tmp/scwrl_1279769649.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1279769649.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS2.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_702896028.pdb -s /var/tmp/to_scwrl_702896028.seq -o /var/tmp/from_scwrl_702896028.pdb > /var/tmp/scwrl_702896028.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_702896028.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS3.pdb.gz looking for model 1 # Found a chain break before 31 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_2037109457.pdb -s /var/tmp/to_scwrl_2037109457.seq -o /var/tmp/from_scwrl_2037109457.pdb > /var/tmp/scwrl_2037109457.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2037109457.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS4.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_637842745.pdb -s /var/tmp/to_scwrl_637842745.seq -o /var/tmp/from_scwrl_637842745.pdb > /var/tmp/scwrl_637842745.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_637842745.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS5.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_859299535.pdb -s /var/tmp/to_scwrl_859299535.seq -o /var/tmp/from_scwrl_859299535.pdb > /var/tmp/scwrl_859299535.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_859299535.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS1.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_344292015.pdb -s /var/tmp/to_scwrl_344292015.seq -o /var/tmp/from_scwrl_344292015.pdb > /var/tmp/scwrl_344292015.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_344292015.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS2.pdb.gz looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1057440755.pdb -s /var/tmp/to_scwrl_1057440755.seq -o /var/tmp/from_scwrl_1057440755.pdb > /var/tmp/scwrl_1057440755.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1057440755.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS3.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_784079582.pdb -s /var/tmp/to_scwrl_784079582.seq -o /var/tmp/from_scwrl_784079582.pdb > /var/tmp/scwrl_784079582.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_784079582.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS4.pdb.gz looking for model 1 # Found a chain break before 16 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1712349815.pdb -s /var/tmp/to_scwrl_1712349815.seq -o /var/tmp/from_scwrl_1712349815.pdb > /var/tmp/scwrl_1712349815.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1712349815.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS5.pdb.gz looking for model 1 # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_2089155721.pdb -s /var/tmp/to_scwrl_2089155721.seq -o /var/tmp/from_scwrl_2089155721.pdb > /var/tmp/scwrl_2089155721.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2089155721.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1093047661.pdb -s /var/tmp/to_scwrl_1093047661.seq -o /var/tmp/from_scwrl_1093047661.pdb > /var/tmp/scwrl_1093047661.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1093047661.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1256000117.pdb -s /var/tmp/to_scwrl_1256000117.seq -o /var/tmp/from_scwrl_1256000117.pdb > /var/tmp/scwrl_1256000117.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1256000117.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1502640105.pdb -s /var/tmp/to_scwrl_1502640105.seq -o /var/tmp/from_scwrl_1502640105.pdb > /var/tmp/scwrl_1502640105.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1502640105.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1471595308.pdb -s /var/tmp/to_scwrl_1471595308.seq -o /var/tmp/from_scwrl_1471595308.pdb > /var/tmp/scwrl_1471595308.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1471595308.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1746471330.pdb -s /var/tmp/to_scwrl_1746471330.seq -o /var/tmp/from_scwrl_1746471330.pdb > /var/tmp/scwrl_1746471330.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1746471330.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_538751101.pdb -s /var/tmp/to_scwrl_538751101.seq -o /var/tmp/from_scwrl_538751101.pdb > /var/tmp/scwrl_538751101.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_538751101.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1400213490.pdb -s /var/tmp/to_scwrl_1400213490.seq -o /var/tmp/from_scwrl_1400213490.pdb > /var/tmp/scwrl_1400213490.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1400213490.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1510345248.pdb -s /var/tmp/to_scwrl_1510345248.seq -o /var/tmp/from_scwrl_1510345248.pdb > /var/tmp/scwrl_1510345248.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1510345248.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1775564300.pdb -s /var/tmp/to_scwrl_1775564300.seq -o /var/tmp/from_scwrl_1775564300.pdb > /var/tmp/scwrl_1775564300.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1775564300.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_2116477586.pdb -s /var/tmp/to_scwrl_2116477586.seq -o /var/tmp/from_scwrl_2116477586.pdb > /var/tmp/scwrl_2116477586.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2116477586.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1929450505.pdb -s /var/tmp/to_scwrl_1929450505.seq -o /var/tmp/from_scwrl_1929450505.pdb > /var/tmp/scwrl_1929450505.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1929450505.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS1-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_106466262.pdb -s /var/tmp/to_scwrl_106466262.seq -o /var/tmp/from_scwrl_106466262.pdb > /var/tmp/scwrl_106466262.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_106466262.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS2-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1619994174.pdb -s /var/tmp/to_scwrl_1619994174.seq -o /var/tmp/from_scwrl_1619994174.pdb > /var/tmp/scwrl_1619994174.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1619994174.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS3-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1643366710.pdb -s /var/tmp/to_scwrl_1643366710.seq -o /var/tmp/from_scwrl_1643366710.pdb > /var/tmp/scwrl_1643366710.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1643366710.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS4-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1595446242.pdb -s /var/tmp/to_scwrl_1595446242.seq -o /var/tmp/from_scwrl_1595446242.pdb > /var/tmp/scwrl_1595446242.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1595446242.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS1.pdb.gz looking for model 1 # Found a chain break before 32 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_920520149.pdb -s /var/tmp/to_scwrl_920520149.seq -o /var/tmp/from_scwrl_920520149.pdb > /var/tmp/scwrl_920520149.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_920520149.pdb # conformation set from SCWRL output # naming current conformation SP3_TS1-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS2.pdb.gz looking for model 1 # Found a chain break before 22 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_519484145.pdb -s /var/tmp/to_scwrl_519484145.seq -o /var/tmp/from_scwrl_519484145.pdb > /var/tmp/scwrl_519484145.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_519484145.pdb # conformation set from SCWRL output # naming current conformation SP3_TS2-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS3.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1517069722.pdb -s /var/tmp/to_scwrl_1517069722.seq -o /var/tmp/from_scwrl_1517069722.pdb > /var/tmp/scwrl_1517069722.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1517069722.pdb # conformation set from SCWRL output # naming current conformation SP3_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS4.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_460245747.pdb -s /var/tmp/to_scwrl_460245747.seq -o /var/tmp/from_scwrl_460245747.pdb > /var/tmp/scwrl_460245747.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_460245747.pdb # conformation set from SCWRL output # naming current conformation SP3_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS5.pdb.gz looking for model 1 # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_777766995.pdb -s /var/tmp/to_scwrl_777766995.seq -o /var/tmp/from_scwrl_777766995.pdb > /var/tmp/scwrl_777766995.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_777766995.pdb # conformation set from SCWRL output # naming current conformation SP3_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS1.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_2010432860.pdb -s /var/tmp/to_scwrl_2010432860.seq -o /var/tmp/from_scwrl_2010432860.pdb > /var/tmp/scwrl_2010432860.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2010432860.pdb # conformation set from SCWRL output # naming current conformation SP4_TS1-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS2.pdb.gz looking for model 1 # Found a chain break before 22 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1740015396.pdb -s /var/tmp/to_scwrl_1740015396.seq -o /var/tmp/from_scwrl_1740015396.pdb > /var/tmp/scwrl_1740015396.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1740015396.pdb # conformation set from SCWRL output # naming current conformation SP4_TS2-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS3.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1480663022.pdb -s /var/tmp/to_scwrl_1480663022.seq -o /var/tmp/from_scwrl_1480663022.pdb > /var/tmp/scwrl_1480663022.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1480663022.pdb # conformation set from SCWRL output # naming current conformation SP4_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS4.pdb.gz looking for model 1 # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1900058670.pdb -s /var/tmp/to_scwrl_1900058670.seq -o /var/tmp/from_scwrl_1900058670.pdb > /var/tmp/scwrl_1900058670.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1900058670.pdb # conformation set from SCWRL output # naming current conformation SP4_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS5.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_230374494.pdb -s /var/tmp/to_scwrl_230374494.seq -o /var/tmp/from_scwrl_230374494.pdb > /var/tmp/scwrl_230374494.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_230374494.pdb # conformation set from SCWRL output # naming current conformation SP4_TS5-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS1.pdb.gz looking for model 1 # Found a chain break before 108 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_192478910.pdb -s /var/tmp/to_scwrl_192478910.seq -o /var/tmp/from_scwrl_192478910.pdb > /var/tmp/scwrl_192478910.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_192478910.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS1-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS2.pdb.gz looking for model 1 # Found a chain break before 113 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_96867038.pdb -s /var/tmp/to_scwrl_96867038.seq -o /var/tmp/from_scwrl_96867038.pdb > /var/tmp/scwrl_96867038.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_96867038.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS2-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS3.pdb.gz looking for model 1 # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1287815248.pdb -s /var/tmp/to_scwrl_1287815248.seq -o /var/tmp/from_scwrl_1287815248.pdb > /var/tmp/scwrl_1287815248.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1287815248.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS3-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS4.pdb.gz looking for model 1 # Found a chain break before 68 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_976558492.pdb -s /var/tmp/to_scwrl_976558492.seq -o /var/tmp/from_scwrl_976558492.pdb > /var/tmp/scwrl_976558492.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_976558492.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS4-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS5.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1809216853.pdb -s /var/tmp/to_scwrl_1809216853.seq -o /var/tmp/from_scwrl_1809216853.pdb > /var/tmp/scwrl_1809216853.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1809216853.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS5-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1229487322.pdb -s /var/tmp/to_scwrl_1229487322.seq -o /var/tmp/from_scwrl_1229487322.pdb > /var/tmp/scwrl_1229487322.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1229487322.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_2069606153.pdb -s /var/tmp/to_scwrl_2069606153.seq -o /var/tmp/from_scwrl_2069606153.pdb > /var/tmp/scwrl_2069606153.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2069606153.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS2-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_917733324.pdb -s /var/tmp/to_scwrl_917733324.seq -o /var/tmp/from_scwrl_917733324.pdb > /var/tmp/scwrl_917733324.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_917733324.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS3-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_584643782.pdb -s /var/tmp/to_scwrl_584643782.seq -o /var/tmp/from_scwrl_584643782.pdb > /var/tmp/scwrl_584643782.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_584643782.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS4-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1393717815.pdb -s /var/tmp/to_scwrl_1393717815.seq -o /var/tmp/from_scwrl_1393717815.pdb > /var/tmp/scwrl_1393717815.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1393717815.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS5-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_expm_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0304)C99.CA and (T0304)L104.CA only 0.000 apart, marking (T0304)L104.CA as missing WARNING: atoms too close: (T0304)K100.CA and (T0304)S105.CA only 0.000 apart, marking (T0304)S105.CA as missing WARNING: atoms too close: (T0304)A101.CA and (T0304)S106.CA only 0.000 apart, marking (T0304)S106.CA as missing # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_516721007.pdb -s /var/tmp/to_scwrl_516721007.seq -o /var/tmp/from_scwrl_516721007.pdb > /var/tmp/scwrl_516721007.log Error: Couldn't open file /var/tmp/from_scwrl_516721007.pdb or /var/tmp/from_scwrl_516721007.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_516721007_b.pdb or decoys//var/tmp/from_scwrl_516721007_b.pdb.gz for input Trying /var/tmp/from_scwrl_516721007_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_516721007_b.pdb or /var/tmp/from_scwrl_516721007_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_516721007_a.pdb or decoys//var/tmp/from_scwrl_516721007_a.pdb.gz for input Trying /var/tmp/from_scwrl_516721007_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_516721007_a.pdb or /var/tmp/from_scwrl_516721007_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_516721007.pdb or /var/tmp/from_scwrl_516721007_b.pdb or /var/tmp/from_scwrl_516721007_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 T0304 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1123394882.pdb -s /var/tmp/to_scwrl_1123394882.seq -o /var/tmp/from_scwrl_1123394882.pdb > /var/tmp/scwrl_1123394882.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1123394882.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_646447659.pdb -s /var/tmp/to_scwrl_646447659.seq -o /var/tmp/from_scwrl_646447659.pdb > /var/tmp/scwrl_646447659.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_646447659.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL2-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_2027066256.pdb -s /var/tmp/to_scwrl_2027066256.seq -o /var/tmp/from_scwrl_2027066256.pdb > /var/tmp/scwrl_2027066256.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2027066256.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL3-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_751475536.pdb -s /var/tmp/to_scwrl_751475536.seq -o /var/tmp/from_scwrl_751475536.pdb > /var/tmp/scwrl_751475536.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_751475536.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL4-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_615441598.pdb -s /var/tmp/to_scwrl_615441598.seq -o /var/tmp/from_scwrl_615441598.pdb > /var/tmp/scwrl_615441598.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_615441598.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL5-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1809033114.pdb -s /var/tmp/to_scwrl_1809033114.seq -o /var/tmp/from_scwrl_1809033114.pdb > /var/tmp/scwrl_1809033114.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1809033114.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS2.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_857941799.pdb -s /var/tmp/to_scwrl_857941799.seq -o /var/tmp/from_scwrl_857941799.pdb > /var/tmp/scwrl_857941799.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_857941799.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS2-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS3.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_87952125.pdb -s /var/tmp/to_scwrl_87952125.seq -o /var/tmp/from_scwrl_87952125.pdb > /var/tmp/scwrl_87952125.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_87952125.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS3-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS4.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1304916177.pdb -s /var/tmp/to_scwrl_1304916177.seq -o /var/tmp/from_scwrl_1304916177.pdb > /var/tmp/scwrl_1304916177.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1304916177.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS4-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS5.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_305904394.pdb -s /var/tmp/to_scwrl_305904394.seq -o /var/tmp/from_scwrl_305904394.pdb > /var/tmp/scwrl_305904394.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_305904394.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS5-scwrl # ReadConformPDB reading from PDB file servers/beautshot_TS1.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1008472274.pdb -s /var/tmp/to_scwrl_1008472274.seq -o /var/tmp/from_scwrl_1008472274.pdb > /var/tmp/scwrl_1008472274.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1008472274.pdb # conformation set from SCWRL output # naming current conformation beautshot_TS1-scwrl # ReadConformPDB reading from PDB file servers/beautshotbase_TS1.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1824400322.pdb -s /var/tmp/to_scwrl_1824400322.seq -o /var/tmp/from_scwrl_1824400322.pdb > /var/tmp/scwrl_1824400322.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1824400322.pdb # conformation set from SCWRL output # naming current conformation beautshotbase_TS1-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 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 110 ; scwrl3 -i /var/tmp/to_scwrl_1822974116.pdb -s /var/tmp/to_scwrl_1822974116.seq -o /var/tmp/from_scwrl_1822974116.pdb > /var/tmp/scwrl_1822974116.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1822974116.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL1-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1468718020.pdb -s /var/tmp/to_scwrl_1468718020.seq -o /var/tmp/from_scwrl_1468718020.pdb > /var/tmp/scwrl_1468718020.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1468718020.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL2-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_454683670.pdb -s /var/tmp/to_scwrl_454683670.seq -o /var/tmp/from_scwrl_454683670.pdb > /var/tmp/scwrl_454683670.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_454683670.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL3-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1685923329.pdb -s /var/tmp/to_scwrl_1685923329.seq -o /var/tmp/from_scwrl_1685923329.pdb > /var/tmp/scwrl_1685923329.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1685923329.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL4-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1061249770.pdb -s /var/tmp/to_scwrl_1061249770.seq -o /var/tmp/from_scwrl_1061249770.pdb > /var/tmp/scwrl_1061249770.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1061249770.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1935346692.pdb -s /var/tmp/to_scwrl_1935346692.seq -o /var/tmp/from_scwrl_1935346692.pdb > /var/tmp/scwrl_1935346692.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1935346692.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS2.pdb.gz looking for model 1 # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1438498352.pdb -s /var/tmp/to_scwrl_1438498352.seq -o /var/tmp/from_scwrl_1438498352.pdb > /var/tmp/scwrl_1438498352.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1438498352.pdb # conformation set from SCWRL output # 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 111 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1291624263.pdb -s /var/tmp/to_scwrl_1291624263.seq -o /var/tmp/from_scwrl_1291624263.pdb > /var/tmp/scwrl_1291624263.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1291624263.pdb # conformation set from SCWRL output # 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 114 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_2127825602.pdb -s /var/tmp/to_scwrl_2127825602.seq -o /var/tmp/from_scwrl_2127825602.pdb > /var/tmp/scwrl_2127825602.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2127825602.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS5.pdb.gz looking for model 1 # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1535365391.pdb -s /var/tmp/to_scwrl_1535365391.seq -o /var/tmp/from_scwrl_1535365391.pdb > /var/tmp/scwrl_1535365391.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1535365391.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0304)P6.O and (T0304)G7.N only 0.000 apart, marking (T0304)G7.N as missing # WARNING: incomplete conformation T0304 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 110 ; scwrl3 -i /var/tmp/to_scwrl_431955866.pdb -s /var/tmp/to_scwrl_431955866.seq -o /var/tmp/from_scwrl_431955866.pdb > /var/tmp/scwrl_431955866.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_431955866.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS2.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_956900447.pdb -s /var/tmp/to_scwrl_956900447.seq -o /var/tmp/from_scwrl_956900447.pdb > /var/tmp/scwrl_956900447.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_956900447.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1197098597.pdb -s /var/tmp/to_scwrl_1197098597.seq -o /var/tmp/from_scwrl_1197098597.pdb > /var/tmp/scwrl_1197098597.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1197098597.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS4.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1661443188.pdb -s /var/tmp/to_scwrl_1661443188.seq -o /var/tmp/from_scwrl_1661443188.pdb > /var/tmp/scwrl_1661443188.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1661443188.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS5.pdb.gz looking for model 1 WARNING: atoms too close: (T0304)C24.O and (T0304)T25.N only 0.000 apart, marking (T0304)T25.N as missing # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_879022954.pdb -s /var/tmp/to_scwrl_879022954.seq -o /var/tmp/from_scwrl_879022954.pdb > /var/tmp/scwrl_879022954.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_879022954.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_2114831922.pdb -s /var/tmp/to_scwrl_2114831922.seq -o /var/tmp/from_scwrl_2114831922.pdb > /var/tmp/scwrl_2114831922.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2114831922.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_98603323.pdb -s /var/tmp/to_scwrl_98603323.seq -o /var/tmp/from_scwrl_98603323.pdb > /var/tmp/scwrl_98603323.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_98603323.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_125257122.pdb -s /var/tmp/to_scwrl_125257122.seq -o /var/tmp/from_scwrl_125257122.pdb > /var/tmp/scwrl_125257122.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_125257122.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_484069282.pdb -s /var/tmp/to_scwrl_484069282.seq -o /var/tmp/from_scwrl_484069282.pdb > /var/tmp/scwrl_484069282.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_484069282.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1221998206.pdb -s /var/tmp/to_scwrl_1221998206.seq -o /var/tmp/from_scwrl_1221998206.pdb > /var/tmp/scwrl_1221998206.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1221998206.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS5-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_771704781.pdb -s /var/tmp/to_scwrl_771704781.seq -o /var/tmp/from_scwrl_771704781.pdb > /var/tmp/scwrl_771704781.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_771704781.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # Found a chain break before 70 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_363651891.pdb -s /var/tmp/to_scwrl_363651891.seq -o /var/tmp/from_scwrl_363651891.pdb > /var/tmp/scwrl_363651891.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_363651891.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # Found a chain break before 112 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1973473742.pdb -s /var/tmp/to_scwrl_1973473742.seq -o /var/tmp/from_scwrl_1973473742.pdb > /var/tmp/scwrl_1973473742.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1973473742.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1387146378.pdb -s /var/tmp/to_scwrl_1387146378.seq -o /var/tmp/from_scwrl_1387146378.pdb > /var/tmp/scwrl_1387146378.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1387146378.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # Found a chain break before 112 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_25201358.pdb -s /var/tmp/to_scwrl_25201358.seq -o /var/tmp/from_scwrl_25201358.pdb > /var/tmp/scwrl_25201358.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_25201358.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS5-scwrl # ReadConformPDB reading from PDB file servers/mGen-3D_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_683931894.pdb -s /var/tmp/to_scwrl_683931894.seq -o /var/tmp/from_scwrl_683931894.pdb > /var/tmp/scwrl_683931894.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_683931894.pdb # conformation set from SCWRL output # naming current conformation mGen-3D_TS1-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1475098503.pdb -s /var/tmp/to_scwrl_1475098503.seq -o /var/tmp/from_scwrl_1475098503.pdb > /var/tmp/scwrl_1475098503.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1475098503.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS1-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1330117536.pdb -s /var/tmp/to_scwrl_1330117536.seq -o /var/tmp/from_scwrl_1330117536.pdb > /var/tmp/scwrl_1330117536.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1330117536.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS2-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_989836288.pdb -s /var/tmp/to_scwrl_989836288.seq -o /var/tmp/from_scwrl_989836288.pdb > /var/tmp/scwrl_989836288.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_989836288.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS3-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_336087130.pdb -s /var/tmp/to_scwrl_336087130.seq -o /var/tmp/from_scwrl_336087130.pdb > /var/tmp/scwrl_336087130.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_336087130.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS4-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1007034212.pdb -s /var/tmp/to_scwrl_1007034212.seq -o /var/tmp/from_scwrl_1007034212.pdb > /var/tmp/scwrl_1007034212.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1007034212.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS5-scwrl # ReadConformPDB reading from PDB file servers/panther2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_665326757.pdb -s /var/tmp/to_scwrl_665326757.seq -o /var/tmp/from_scwrl_665326757.pdb > /var/tmp/scwrl_665326757.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_665326757.pdb # conformation set from SCWRL output # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0304 can't currently be optimized by undertaker # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 110 ; scwrl3 -i /var/tmp/to_scwrl_1804805150.pdb -s /var/tmp/to_scwrl_1804805150.seq -o /var/tmp/from_scwrl_1804805150.pdb > /var/tmp/scwrl_1804805150.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1804805150.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 38.619 sec, elapsed time= 186.351 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 104.000 real_cost = 285.558 shub_TS1 costs 103.989 real_cost = 291.145 panther2_TS1-scwrl costs 92.734 real_cost = 441.656 panther2_TS1 costs 92.713 real_cost = 446.290 nFOLD_TS5-scwrl costs 97.232 real_cost = 365.468 nFOLD_TS5 costs 97.232 real_cost = 362.932 nFOLD_TS4-scwrl costs 99.045 real_cost = 350.735 nFOLD_TS4 costs 99.045 real_cost = 340.825 nFOLD_TS3-scwrl costs 76.230 real_cost = 318.630 nFOLD_TS3 costs 76.750 real_cost = 382.790 nFOLD_TS2-scwrl costs 107.595 real_cost = 298.651 nFOLD_TS2 costs 107.595 real_cost = 294.820 nFOLD_TS1-scwrl costs 98.168 real_cost = 333.887 nFOLD_TS1 costs 98.168 real_cost = 331.155 mGen-3D_TS1-scwrl costs 77.865 real_cost = 257.775 mGen-3D_TS1 costs 77.806 real_cost = 311.442 keasar-server_TS5-scwrl costs 113.155 real_cost = 305.440 keasar-server_TS5 costs 113.155 real_cost = 306.872 keasar-server_TS4-scwrl costs 130.785 real_cost = 307.566 keasar-server_TS4 costs 130.785 real_cost = 309.152 keasar-server_TS3-scwrl costs 117.473 real_cost = 327.451 keasar-server_TS3 costs 117.473 real_cost = 325.156 keasar-server_TS2-scwrl costs 112.218 real_cost = 267.494 keasar-server_TS2 costs 112.218 real_cost = 288.142 keasar-server_TS1-scwrl costs 110.484 real_cost = 325.319 keasar-server_TS1 costs 110.484 real_cost = 324.554 karypis.srv_TS5-scwrl costs 89.066 real_cost = 297.945 karypis.srv_TS5 costs 89.001 real_cost = 295.663 karypis.srv_TS4-scwrl costs 99.338 real_cost = 308.899 karypis.srv_TS4 costs 99.338 real_cost = 308.899 karypis.srv_TS3-scwrl costs 71.092 real_cost = 366.329 karypis.srv_TS3 costs 70.949 real_cost = 363.631 karypis.srv_TS2-scwrl costs 98.418 real_cost = 297.822 karypis.srv_TS2 costs 98.424 real_cost = 299.430 karypis.srv_TS1-scwrl costs 86.700 real_cost = 262.585 karypis.srv_TS1 costs 86.724 real_cost = 259.141 karypis.srv.4_TS5-scwrl costs 137.563 real_cost = 308.489 karypis.srv.4_TS5 costs 137.563 real_cost = 308.486 karypis.srv.4_TS4-scwrl costs 142.179 real_cost = 270.097 karypis.srv.4_TS4 costs 142.179 real_cost = 270.097 karypis.srv.4_TS3-scwrl costs 141.038 real_cost = 329.851 karypis.srv.4_TS3 costs 141.038 real_cost = 329.941 karypis.srv.4_TS2-scwrl costs 150.529 real_cost = 365.614 karypis.srv.4_TS2 costs 150.529 real_cost = 365.614 karypis.srv.4_TS1-scwrl costs 161.481 real_cost = 312.036 karypis.srv.4_TS1 costs 161.481 real_cost = 312.036 karypis.srv.2_TS5-scwrl costs 91.339 real_cost = 273.150 karypis.srv.2_TS5 costs 91.339 real_cost = 273.150 karypis.srv.2_TS4-scwrl costs 122.622 real_cost = 318.729 karypis.srv.2_TS4 costs 122.622 real_cost = 318.729 karypis.srv.2_TS3-scwrl costs 117.336 real_cost = 326.513 karypis.srv.2_TS3 costs 117.336 real_cost = 326.594 karypis.srv.2_TS2-scwrl costs 109.361 real_cost = 258.868 karypis.srv.2_TS2 costs 109.361 real_cost = 258.868 karypis.srv.2_TS1-scwrl costs 105.634 real_cost = 288.855 karypis.srv.2_TS1 costs 105.634 real_cost = 288.823 forecast-s_AL5-scwrl costs 118.859 real_cost = 439.189 forecast-s_AL5 costs 118.781 real_cost = 474.012 forecast-s_AL4-scwrl costs 101.328 real_cost = 451.212 forecast-s_AL4 costs 101.260 real_cost = 489.145 forecast-s_AL3-scwrl costs 96.664 real_cost = 288.746 forecast-s_AL3 costs 96.492 real_cost = 331.747 forecast-s_AL2-scwrl costs 112.802 real_cost = 434.234 forecast-s_AL2 costs 112.696 real_cost = 452.470 forecast-s_AL1-scwrl costs 134.399 real_cost = 449.713 forecast-s_AL1 costs 134.399 real_cost = 449.427 beautshotbase_TS1-scwrl costs 93.389 real_cost = 289.165 beautshotbase_TS1 costs 93.389 real_cost = 288.532 beautshot_TS1-scwrl costs 110.783 real_cost = 261.474 beautshot_TS1 costs 110.783 real_cost = 258.138 Zhang-Server_TS5-scwrl costs 99.933 real_cost = 171.145 Zhang-Server_TS5 costs 99.933 real_cost = 173.359 Zhang-Server_TS4-scwrl costs 84.971 real_cost = 121.866 Zhang-Server_TS4 costs 84.971 real_cost = 132.308 Zhang-Server_TS3-scwrl costs 96.256 real_cost = 117.282 Zhang-Server_TS3 costs 96.256 real_cost = 122.415 Zhang-Server_TS2-scwrl costs 89.253 real_cost = 99.134 Zhang-Server_TS2 costs 89.253 real_cost = 104.010 Zhang-Server_TS1-scwrl costs 96.548 real_cost = 107.767 Zhang-Server_TS1 costs 96.548 real_cost = 104.041 UNI-EID_sfst_AL5-scwrl costs 87.564 real_cost = 365.469 UNI-EID_sfst_AL5 costs 87.455 real_cost = 403.485 UNI-EID_sfst_AL4-scwrl costs 97.122 real_cost = 375.027 UNI-EID_sfst_AL4 costs 96.898 real_cost = 410.790 UNI-EID_sfst_AL3-scwrl costs 78.675 real_cost = 328.886 UNI-EID_sfst_AL3 costs 78.493 real_cost = 342.528 UNI-EID_sfst_AL2-scwrl costs 90.171 real_cost = 327.494 UNI-EID_sfst_AL2 costs 90.280 real_cost = 345.097 UNI-EID_sfst_AL1-scwrl costs 91.742 real_cost = 403.333 UNI-EID_sfst_AL1 costs 91.825 real_cost = 431.703 UNI-EID_expm_TS1-scwrl costs 102.241 real_cost = 386.588 UNI-EID_bnmx_TS5-scwrl costs 104.929 real_cost = 461.994 UNI-EID_bnmx_TS5 costs 105.372 real_cost = 482.171 UNI-EID_bnmx_TS4-scwrl costs 107.144 real_cost = 345.854 UNI-EID_bnmx_TS4 costs 107.270 real_cost = 408.561 UNI-EID_bnmx_TS3-scwrl costs 86.613 real_cost = 315.555 UNI-EID_bnmx_TS3 costs 86.636 real_cost = 359.625 UNI-EID_bnmx_TS2-scwrl costs 85.429 real_cost = 323.233 UNI-EID_bnmx_TS2 costs 85.762 real_cost = 345.869 UNI-EID_bnmx_TS1-scwrl costs 88.025 real_cost = 378.117 UNI-EID_bnmx_TS1 costs 88.140 real_cost = 419.630 SPARKS2_TS5-scwrl costs 97.087 real_cost = 258.846 SPARKS2_TS5 costs 97.087 real_cost = 258.517 SPARKS2_TS4-scwrl costs 91.174 real_cost = 282.084 SPARKS2_TS4 costs 91.174 real_cost = 281.815 SPARKS2_TS3-scwrl costs 82.022 real_cost = 311.817 SPARKS2_TS3 costs 82.022 real_cost = 309.358 SPARKS2_TS2-scwrl costs 115.260 real_cost = 327.199 SPARKS2_TS2 costs 115.260 real_cost = 342.111 SPARKS2_TS1-scwrl costs 94.514 real_cost = 320.954 SPARKS2_TS1 costs 94.514 real_cost = 318.586 SP4_TS5-scwrl costs 94.413 real_cost = 218.527 SP4_TS5 costs 94.413 real_cost = 233.577 SP4_TS4-scwrl costs 78.298 real_cost = 232.767 SP4_TS4 costs 78.298 real_cost = 229.010 SP4_TS3-scwrl costs 92.179 real_cost = 251.816 SP4_TS3 costs 92.179 real_cost = 260.614 SP4_TS2-scwrl costs 81.110 real_cost = 280.938 SP4_TS2 costs 81.110 real_cost = 279.272 SP4_TS1-scwrl costs 78.494 real_cost = 241.813 SP4_TS1 costs 78.494 real_cost = 249.032 SP3_TS5-scwrl costs 85.118 real_cost = 255.905 SP3_TS5 costs 85.118 real_cost = 264.273 SP3_TS4-scwrl costs 83.442 real_cost = 248.470 SP3_TS4 costs 83.442 real_cost = 260.415 SP3_TS3-scwrl costs 78.828 real_cost = 245.133 SP3_TS3 costs 78.828 real_cost = 256.365 SP3_TS2-scwrl costs 81.110 real_cost = 280.938 SP3_TS2 costs 81.110 real_cost = 279.272 SP3_TS1-scwrl costs 83.391 real_cost = 261.628 SP3_TS1 costs 83.391 real_cost = 263.811 SAM_T06_server_TS5-scwrl costs 126.827 real_cost = 403.776 SAM_T06_server_TS5 costs 126.884 real_cost = 363.950 SAM_T06_server_TS4-scwrl costs 118.726 real_cost = 329.340 SAM_T06_server_TS4 costs 118.726 real_cost = 329.222 SAM_T06_server_TS3-scwrl costs 129.656 real_cost = 445.297 SAM_T06_server_TS3 costs 129.602 real_cost = 420.650 SAM_T06_server_TS2-scwrl costs 68.969 real_cost = 233.534 SAM_T06_server_TS2 costs 68.964 real_cost = 246.865 SAM_T06_server_TS1-scwrl costs 131.966 real_cost = 322.749 SAM_T06_server_TS1 costs 131.966 real_cost = 325.101 SAM-T02_AL5-scwrl costs 75.106 real_cost = 309.106 SAM-T02_AL5 costs 75.005 real_cost = 341.788 SAM-T02_AL4-scwrl costs 88.407 real_cost = 439.488 SAM-T02_AL4 costs 88.413 real_cost = 449.742 SAM-T02_AL3-scwrl costs 88.133 real_cost = 443.684 SAM-T02_AL3 costs 88.112 real_cost = 452.525 SAM-T02_AL2-scwrl costs 102.415 real_cost = 440.288 SAM-T02_AL2 costs 102.749 real_cost = 475.596 SAM-T02_AL1-scwrl costs 138.209 real_cost = 395.322 SAM-T02_AL1 costs 138.419 real_cost = 453.508 ROKKY_TS5-scwrl costs 58.064 real_cost = 151.689 ROKKY_TS5 costs 58.064 real_cost = 240.737 ROKKY_TS4-scwrl costs 55.908 real_cost = 182.336 ROKKY_TS4 costs 55.908 real_cost = 284.018 ROKKY_TS3-scwrl costs 56.071 real_cost = 190.504 ROKKY_TS3 costs 56.071 real_cost = 287.145 ROKKY_TS2-scwrl costs 63.880 real_cost = 181.376 ROKKY_TS2 costs 63.880 real_cost = 283.166 ROKKY_TS1-scwrl costs 66.683 real_cost = 214.305 ROKKY_TS1 costs 66.683 real_cost = 311.172 ROBETTA_TS5-scwrl costs 64.130 real_cost = 148.017 ROBETTA_TS5 costs 64.130 real_cost = 150.068 ROBETTA_TS4-scwrl costs 67.322 real_cost = 152.854 ROBETTA_TS4 costs 67.322 real_cost = 145.230 ROBETTA_TS3-scwrl costs 63.053 real_cost = 139.328 ROBETTA_TS3 costs 63.053 real_cost = 137.826 ROBETTA_TS2-scwrl costs 60.416 real_cost = 151.547 ROBETTA_TS2 costs 60.416 real_cost = 154.899 ROBETTA_TS1-scwrl costs 59.440 real_cost = 188.768 ROBETTA_TS1 costs 59.440 real_cost = 181.073 RAPTOR_TS5-scwrl costs 84.038 real_cost = 272.844 RAPTOR_TS5 costs 84.038 real_cost = 272.443 RAPTOR_TS4-scwrl costs 73.645 real_cost = 212.400 RAPTOR_TS4 costs 73.645 real_cost = 223.677 RAPTOR_TS3-scwrl costs 68.292 real_cost = 290.449 RAPTOR_TS3 costs 68.292 real_cost = 290.678 RAPTOR_TS2-scwrl costs 69.326 real_cost = 222.036 RAPTOR_TS2 costs 69.326 real_cost = 231.388 RAPTOR_TS1-scwrl costs 76.972 real_cost = 260.927 RAPTOR_TS1 costs 76.972 real_cost = 264.465 RAPTORESS_TS5-scwrl costs 102.276 real_cost = 306.052 RAPTORESS_TS5 costs 102.276 real_cost = 306.323 RAPTORESS_TS4-scwrl costs 119.946 real_cost = 283.860 RAPTORESS_TS4 costs 119.946 real_cost = 294.582 RAPTORESS_TS3-scwrl costs 91.166 real_cost = 296.111 RAPTORESS_TS3 costs 91.166 real_cost = 301.377 RAPTORESS_TS2-scwrl costs 82.873 real_cost = 225.548 RAPTORESS_TS2 costs 82.873 real_cost = 225.883 RAPTORESS_TS1-scwrl costs 93.148 real_cost = 261.985 RAPTORESS_TS1 costs 93.148 real_cost = 272.427 RAPTOR-ACE_TS5-scwrl costs 92.056 real_cost = 246.455 RAPTOR-ACE_TS5 costs 92.056 real_cost = 241.765 RAPTOR-ACE_TS4-scwrl costs 92.253 real_cost = 229.147 RAPTOR-ACE_TS4 costs 92.253 real_cost = 230.798 RAPTOR-ACE_TS3-scwrl costs 68.396 real_cost = 239.537 RAPTOR-ACE_TS3 costs 68.396 real_cost = 245.358 RAPTOR-ACE_TS2-scwrl costs 65.706 real_cost = 284.349 RAPTOR-ACE_TS2 costs 65.706 real_cost = 289.209 RAPTOR-ACE_TS1-scwrl costs 89.672 real_cost = 236.841 RAPTOR-ACE_TS1 costs 89.672 real_cost = 256.993 Pmodeller6_TS5-scwrl costs 67.322 real_cost = 152.854 Pmodeller6_TS5 costs 67.322 real_cost = 145.230 Pmodeller6_TS4-scwrl costs 61.617 real_cost = 165.005 Pmodeller6_TS4 costs 61.617 real_cost = 166.686 Pmodeller6_TS3-scwrl costs 63.053 real_cost = 139.328 Pmodeller6_TS3 costs 63.053 real_cost = 137.826 Pmodeller6_TS2-scwrl costs 60.416 real_cost = 151.547 Pmodeller6_TS2 costs 60.416 real_cost = 154.899 Pmodeller6_TS1-scwrl costs 60.834 real_cost = 155.965 Pmodeller6_TS1 costs 60.834 real_cost = 158.777 Phyre-2_TS5-scwrl costs 130.862 real_cost = 308.362 Phyre-2_TS5 costs 130.862 real_cost = 302.505 Phyre-2_TS4-scwrl costs 132.871 real_cost = 312.027 Phyre-2_TS4 costs 132.871 real_cost = 309.931 Phyre-2_TS3-scwrl costs 134.985 real_cost = 302.215 Phyre-2_TS3 costs 134.985 real_cost = 299.843 Phyre-2_TS2-scwrl costs 141.636 real_cost = 304.912 Phyre-2_TS2 costs 141.636 real_cost = 302.710 Phyre-2_TS1-scwrl costs 141.431 real_cost = 304.956 Phyre-2_TS1 costs 141.431 real_cost = 303.173 Phyre-1_TS1-scwrl costs 89.854 real_cost = 345.807 Phyre-1_TS1 costs 89.931 real_cost = 341.730 Pcons6_TS5-scwrl costs 66.845 real_cost = 257.064 Pcons6_TS5 costs 66.836 real_cost = 264.188 Pcons6_TS4-scwrl costs 60.834 real_cost = 155.965 Pcons6_TS4 costs 60.834 real_cost = 158.777 Pcons6_TS3-scwrl costs 96.193 real_cost = 230.062 Pcons6_TS3 costs 96.193 real_cost = 230.062 Pcons6_TS2-scwrl costs 71.196 real_cost = 250.594 Pcons6_TS2 costs 71.189 real_cost = 249.441 Pcons6_TS1-scwrl costs 88.508 real_cost = 230.941 Pcons6_TS1 costs 88.508 real_cost = 230.941 PROTINFO_TS5-scwrl costs 94.613 real_cost = 334.777 PROTINFO_TS5 costs 94.634 real_cost = 333.019 PROTINFO_TS4-scwrl costs 93.564 real_cost = 332.625 PROTINFO_TS4 costs 93.574 real_cost = 336.373 PROTINFO_TS3-scwrl costs 94.392 real_cost = 269.715 PROTINFO_TS3 costs 94.392 real_cost = 267.773 PROTINFO_TS2-scwrl costs 102.257 real_cost = 334.420 PROTINFO_TS2 costs 102.257 real_cost = 334.445 PROTINFO_TS1-scwrl costs 108.117 real_cost = 259.289 PROTINFO_TS1 costs 108.117 real_cost = 255.010 PROTINFO-AB_TS5-scwrl costs 65.264 real_cost = 251.177 PROTINFO-AB_TS5 costs 65.278 real_cost = 257.236 PROTINFO-AB_TS4-scwrl costs 71.146 real_cost = 223.336 PROTINFO-AB_TS4 costs 71.160 real_cost = 230.054 PROTINFO-AB_TS3-scwrl costs 71.866 real_cost = 244.391 PROTINFO-AB_TS3 costs 71.880 real_cost = 266.452 PROTINFO-AB_TS2-scwrl costs 73.185 real_cost = 304.218 PROTINFO-AB_TS2 costs 73.199 real_cost = 313.617 PROTINFO-AB_TS1-scwrl costs 72.216 real_cost = 256.182 PROTINFO-AB_TS1 costs 72.230 real_cost = 271.028 POMYSL_TS5-scwrl costs 125.821 real_cost = 330.726 POMYSL_TS5 costs 125.821 real_cost = 331.914 POMYSL_TS4-scwrl costs 118.720 real_cost = 392.442 POMYSL_TS4 costs 118.678 real_cost = 388.924 POMYSL_TS3-scwrl costs 127.252 real_cost = 316.158 POMYSL_TS3 costs 127.252 real_cost = 316.592 POMYSL_TS2-scwrl costs 123.943 real_cost = 304.028 POMYSL_TS2 costs 123.943 real_cost = 306.542 POMYSL_TS1-scwrl costs 115.135 real_cost = 321.332 POMYSL_TS1 costs 115.135 real_cost = 324.382 NN_PUT_lab_TS1-scwrl costs 98.168 real_cost = 333.887 NN_PUT_lab_TS1 costs 98.168 real_cost = 331.155 MetaTasser_TS5-scwrl costs 114.304 real_cost = 253.552 MetaTasser_TS5 costs 114.304 real_cost = 254.143 MetaTasser_TS4-scwrl costs 105.508 real_cost = 280.202 MetaTasser_TS4 costs 105.508 real_cost = 283.356 MetaTasser_TS3-scwrl costs 103.815 real_cost = 247.854 MetaTasser_TS3 costs 103.815 real_cost = 255.661 MetaTasser_TS2-scwrl costs 121.102 real_cost = 256.713 MetaTasser_TS2 costs 121.102 real_cost = 262.257 MetaTasser_TS1-scwrl costs 129.601 real_cost = 303.621 MetaTasser_TS1 costs 129.601 real_cost = 303.404 Ma-OPUS-server_TS5-scwrl costs 113.247 real_cost = 281.136 Ma-OPUS-server_TS5 costs 113.247 real_cost = 290.706 Ma-OPUS-server_TS4-scwrl costs 100.100 real_cost = 260.648 Ma-OPUS-server_TS4 costs 100.100 real_cost = 257.354 Ma-OPUS-server_TS3-scwrl costs 91.941 real_cost = 240.711 Ma-OPUS-server_TS3 costs 91.941 real_cost = 244.068 Ma-OPUS-server_TS2-scwrl costs 109.614 real_cost = 318.410 Ma-OPUS-server_TS2 costs 109.614 real_cost = 315.067 Ma-OPUS-server_TS1-scwrl costs 101.089 real_cost = 221.110 Ma-OPUS-server_TS1 costs 101.089 real_cost = 231.852 MIG_FROST_AL1-scwrl costs 101.781 real_cost = 355.616 MIG_FROST_AL1 costs 101.777 real_cost = 370.327 LOOPP_TS5-scwrl costs 101.023 real_cost = 294.030 LOOPP_TS5 costs 100.956 real_cost = 293.832 LOOPP_TS4-scwrl costs 110.643 real_cost = 295.418 LOOPP_TS4 costs 110.652 real_cost = 293.380 LOOPP_TS3-scwrl costs 77.029 real_cost = 227.779 LOOPP_TS3 costs 76.944 real_cost = 217.807 LOOPP_TS2-scwrl costs 106.149 real_cost = 292.157 LOOPP_TS2 costs 106.084 real_cost = 287.385 LOOPP_TS1-scwrl costs 129.178 real_cost = 319.576 LOOPP_TS1 costs 129.087 real_cost = 317.885 Huber-Torda-Server_TS5-scwrl costs 89.904 real_cost = 259.584 Huber-Torda-Server_TS5 costs 89.909 real_cost = 308.051 Huber-Torda-Server_TS4-scwrl costs 79.815 real_cost = 278.441 Huber-Torda-Server_TS4 costs 79.673 real_cost = 330.277 Huber-Torda-Server_TS3-scwrl costs 95.009 real_cost = 344.245 Huber-Torda-Server_TS3 costs 94.981 real_cost = 378.421 Huber-Torda-Server_TS2-scwrl costs 86.444 real_cost = 339.333 Huber-Torda-Server_TS2 costs 86.447 real_cost = 391.766 Huber-Torda-Server_TS1-scwrl costs 94.883 real_cost = 311.882 Huber-Torda-Server_TS1 costs 94.985 real_cost = 365.074 HHpred3_TS1-scwrl costs 70.905 real_cost = 315.280 HHpred3_TS1 costs 70.905 real_cost = 314.228 HHpred2_TS1-scwrl costs 67.232 real_cost = 237.798 HHpred2_TS1 costs 67.232 real_cost = 240.691 HHpred1_TS1-scwrl costs 77.935 real_cost = 316.526 HHpred1_TS1 costs 77.935 real_cost = 326.665 GeneSilicoMetaServer_TS5-scwrl costs 94.563 real_cost = 287.769 GeneSilicoMetaServer_TS5 costs 94.563 real_cost = 297.109 GeneSilicoMetaServer_TS4-scwrl costs 95.585 real_cost = 198.296 GeneSilicoMetaServer_TS4 costs 95.585 real_cost = 206.117 GeneSilicoMetaServer_TS3-scwrl costs 97.790 real_cost = 251.559 GeneSilicoMetaServer_TS3 costs 97.790 real_cost = 245.273 GeneSilicoMetaServer_TS2-scwrl costs 99.850 real_cost = 266.246 GeneSilicoMetaServer_TS2 costs 99.850 real_cost = 273.922 GeneSilicoMetaServer_TS1-scwrl costs 90.710 real_cost = 242.183 GeneSilicoMetaServer_TS1 costs 90.710 real_cost = 243.199 FUNCTION_TS5-scwrl costs 134.629 real_cost = 294.978 FUNCTION_TS5 costs 134.629 real_cost = 298.645 FUNCTION_TS4-scwrl costs 121.690 real_cost = 238.077 FUNCTION_TS4 costs 121.690 real_cost = 236.668 FUNCTION_TS3-scwrl costs 107.510 real_cost = 259.510 FUNCTION_TS3 costs 107.510 real_cost = 262.131 FUNCTION_TS2-scwrl costs 146.136 real_cost = 303.045 FUNCTION_TS2 costs 146.136 real_cost = 303.271 FUNCTION_TS1-scwrl costs 147.113 real_cost = 312.204 FUNCTION_TS1 costs 147.113 real_cost = 317.546 FUGUE_AL5-scwrl costs 97.575 real_cost = 282.002 FUGUE_AL5 costs 97.605 real_cost = 369.585 FUGUE_AL4-scwrl costs 101.072 real_cost = 328.615 FUGUE_AL4 costs 101.081 real_cost = 380.816 FUGUE_AL3-scwrl costs 139.277 real_cost = 342.481 FUGUE_AL3 costs 139.348 real_cost = 419.096 FUGUE_AL2-scwrl costs 94.507 real_cost = 340.022 FUGUE_AL2 costs 94.507 real_cost = 340.669 FUGUE_AL1-scwrl costs 106.031 real_cost = 409.067 FUGUE_AL1 costs 106.031 real_cost = 407.786 FUGMOD_TS5-scwrl costs 97.695 real_cost = 274.154 FUGMOD_TS5 costs 97.725 real_cost = 271.219 FUGMOD_TS4-scwrl costs 101.600 real_cost = 285.829 FUGMOD_TS4 costs 101.600 real_cost = 285.909 FUGMOD_TS3-scwrl costs 116.425 real_cost = 310.109 FUGMOD_TS3 costs 116.425 real_cost = 309.593 FUGMOD_TS2-scwrl costs 87.645 real_cost = 229.950 FUGMOD_TS2 costs 87.645 real_cost = 231.437 FUGMOD_TS1-scwrl costs 102.982 real_cost = 309.050 FUGMOD_TS1 costs 102.982 real_cost = 313.107 FPSOLVER-SERVER_TS5-scwrl costs 111.686 real_cost = 301.599 FPSOLVER-SERVER_TS5 costs 111.686 real_cost = 302.115 FPSOLVER-SERVER_TS4-scwrl costs 118.059 real_cost = 319.292 FPSOLVER-SERVER_TS4 costs 118.059 real_cost = 319.415 FPSOLVER-SERVER_TS3-scwrl costs 123.417 real_cost = 323.309 FPSOLVER-SERVER_TS3 costs 123.417 real_cost = 323.203 FPSOLVER-SERVER_TS2-scwrl costs 112.418 real_cost = 234.814 FPSOLVER-SERVER_TS2 costs 112.418 real_cost = 235.054 FPSOLVER-SERVER_TS1-scwrl costs 131.294 real_cost = 314.385 FPSOLVER-SERVER_TS1 costs 131.294 real_cost = 317.570 FORTE2_AL5-scwrl costs 127.557 real_cost = 347.195 FORTE2_AL5 costs 127.557 real_cost = 433.667 FORTE2_AL4-scwrl costs 137.665 real_cost = 356.000 FORTE2_AL4 costs 137.544 real_cost = 444.707 FORTE2_AL3-scwrl costs 108.843 real_cost = 384.109 FORTE2_AL3 costs 108.843 real_cost = 384.015 FORTE2_AL2-scwrl costs 142.505 real_cost = 362.081 FORTE2_AL2 costs 142.505 real_cost = 454.807 FORTE2_AL1-scwrl costs 128.238 real_cost = 357.974 FORTE2_AL1 costs 128.475 real_cost = 438.893 FORTE1_AL5-scwrl costs 127.852 real_cost = 371.351 FORTE1_AL5 costs 127.852 real_cost = 465.866 FORTE1_AL4-scwrl costs 125.604 real_cost = 345.485 FORTE1_AL4 costs 125.604 real_cost = 432.143 FORTE1_AL3-scwrl costs 108.843 real_cost = 384.109 FORTE1_AL3 costs 108.843 real_cost = 384.015 FORTE1_AL2-scwrl costs 142.505 real_cost = 362.081 FORTE1_AL2 costs 142.505 real_cost = 454.807 FORTE1_AL1-scwrl costs 128.238 real_cost = 357.974 FORTE1_AL1 costs 128.475 real_cost = 438.893 FOLDpro_TS5-scwrl costs 95.301 real_cost = 302.541 FOLDpro_TS5 costs 95.301 real_cost = 305.335 FOLDpro_TS4-scwrl costs 98.911 real_cost = 296.902 FOLDpro_TS4 costs 98.911 real_cost = 293.811 FOLDpro_TS3-scwrl costs 115.943 real_cost = 323.922 FOLDpro_TS3 costs 115.943 real_cost = 329.577 FOLDpro_TS2-scwrl costs 119.061 real_cost = 314.510 FOLDpro_TS2 costs 119.061 real_cost = 312.138 FOLDpro_TS1-scwrl costs 88.053 real_cost = 268.396 FOLDpro_TS1 costs 88.053 real_cost = 270.036 FAMS_TS5-scwrl costs 108.989 real_cost = 227.799 FAMS_TS5 costs 108.989 real_cost = 233.817 FAMS_TS4-scwrl costs 100.548 real_cost = 249.914 FAMS_TS4 costs 100.548 real_cost = 251.428 FAMS_TS3-scwrl costs 98.685 real_cost = 254.175 FAMS_TS3 costs 98.685 real_cost = 258.798 FAMS_TS2-scwrl costs 146.136 real_cost = 303.045 FAMS_TS2 costs 146.136 real_cost = 303.271 FAMS_TS1-scwrl costs 102.507 real_cost = 271.165 FAMS_TS1 costs 102.507 real_cost = 278.252 FAMSD_TS5-scwrl costs 130.938 real_cost = 266.200 FAMSD_TS5 costs 130.918 real_cost = 270.186 FAMSD_TS4-scwrl costs 104.623 real_cost = 235.252 FAMSD_TS4 costs 104.623 real_cost = 234.525 FAMSD_TS3-scwrl costs 102.820 real_cost = 264.750 FAMSD_TS3 costs 102.820 real_cost = 259.485 FAMSD_TS2-scwrl costs 120.652 real_cost = 227.358 FAMSD_TS2 costs 120.635 real_cost = 227.675 FAMSD_TS1-scwrl costs 108.989 real_cost = 227.799 FAMSD_TS1 costs 108.989 real_cost = 233.817 Distill_TS5-scwrl costs 229.331 real_cost = 381.308 Distill_TS4-scwrl costs 230.038 real_cost = 365.843 Distill_TS3-scwrl costs 233.558 real_cost = 381.642 Distill_TS2-scwrl costs 230.996 real_cost = 371.699 Distill_TS1-scwrl costs 229.680 real_cost = 364.562 CaspIta-FOX_TS5-scwrl costs 120.250 real_cost = 328.995 CaspIta-FOX_TS5 costs 120.250 real_cost = 327.828 CaspIta-FOX_TS4-scwrl costs 119.652 real_cost = 299.212 CaspIta-FOX_TS4 costs 119.652 real_cost = 294.081 CaspIta-FOX_TS3-scwrl costs 115.865 real_cost = 340.882 CaspIta-FOX_TS3 costs 115.871 real_cost = 340.165 CaspIta-FOX_TS2-scwrl costs 100.358 real_cost = 287.783 CaspIta-FOX_TS2 costs 100.354 real_cost = 287.486 CaspIta-FOX_TS1-scwrl costs 95.186 real_cost = 436.949 CaspIta-FOX_TS1 costs 95.197 real_cost = 435.665 CIRCLE_TS5-scwrl costs 102.507 real_cost = 271.165 CIRCLE_TS5 costs 102.507 real_cost = 278.252 CIRCLE_TS4-scwrl costs 98.685 real_cost = 254.175 CIRCLE_TS4 costs 98.685 real_cost = 258.798 CIRCLE_TS3-scwrl costs 108.989 real_cost = 227.799 CIRCLE_TS3 costs 108.989 real_cost = 233.817 CIRCLE_TS2-scwrl costs 100.711 real_cost = 227.327 CIRCLE_TS2 costs 100.711 real_cost = 240.969 CIRCLE_TS1-scwrl costs 100.548 real_cost = 249.914 CIRCLE_TS1 costs 100.548 real_cost = 251.428 Bilab-ENABLE_TS5-scwrl costs 66.199 real_cost = 192.542 Bilab-ENABLE_TS5 costs 66.199 real_cost = 192.556 Bilab-ENABLE_TS4-scwrl costs 59.482 real_cost = 231.164 Bilab-ENABLE_TS4 costs 59.482 real_cost = 231.604 Bilab-ENABLE_TS3-scwrl costs 76.108 real_cost = 223.574 Bilab-ENABLE_TS3 costs 76.108 real_cost = 224.590 Bilab-ENABLE_TS2-scwrl costs 61.726 real_cost = 215.095 Bilab-ENABLE_TS2 costs 61.726 real_cost = 215.095 Bilab-ENABLE_TS1-scwrl costs 52.536 real_cost = 182.020 Bilab-ENABLE_TS1 costs 52.536 real_cost = 182.922 BayesHH_TS1-scwrl costs 105.333 real_cost = 286.123 BayesHH_TS1 costs 105.333 real_cost = 277.193 ABIpro_TS5-scwrl costs 81.193 real_cost = 223.986 ABIpro_TS5 costs 81.193 real_cost = 223.986 ABIpro_TS4-scwrl costs 65.603 real_cost = 206.422 ABIpro_TS4 costs 65.603 real_cost = 209.183 ABIpro_TS3-scwrl costs 80.116 real_cost = 206.639 ABIpro_TS3 costs 80.116 real_cost = 206.639 ABIpro_TS2-scwrl costs 82.291 real_cost = 180.548 ABIpro_TS2 costs 82.291 real_cost = 181.003 ABIpro_TS1-scwrl costs 79.722 real_cost = 247.570 ABIpro_TS1 costs 79.722 real_cost = 245.103 3Dpro_TS5-scwrl costs 118.645 real_cost = 321.861 3Dpro_TS5 costs 118.645 real_cost = 334.907 3Dpro_TS4-scwrl costs 111.498 real_cost = 335.031 3Dpro_TS4 costs 111.498 real_cost = 343.004 3Dpro_TS3-scwrl costs 82.291 real_cost = 180.548 3Dpro_TS3 costs 82.291 real_cost = 181.003 3Dpro_TS2-scwrl costs 95.894 real_cost = 284.348 3Dpro_TS2 costs 95.894 real_cost = 285.361 3Dpro_TS1-scwrl costs 79.722 real_cost = 247.570 3Dpro_TS1 costs 79.722 real_cost = 245.103 3D-JIGSAW_TS5-scwrl costs 92.526 real_cost = 374.217 3D-JIGSAW_TS5 costs 92.540 real_cost = 372.587 3D-JIGSAW_TS4-scwrl costs 92.844 real_cost = 292.264 3D-JIGSAW_TS4 costs 92.870 real_cost = 294.245 3D-JIGSAW_TS3-scwrl costs 114.305 real_cost = 295.985 3D-JIGSAW_TS3 costs 114.282 real_cost = 304.739 3D-JIGSAW_TS2-scwrl costs 99.471 real_cost = 304.257 3D-JIGSAW_TS2 costs 99.476 real_cost = 303.374 3D-JIGSAW_TS1-scwrl costs 98.570 real_cost = 314.902 3D-JIGSAW_TS1 costs 98.570 real_cost = 324.567 3D-JIGSAW_RECOM_TS5-scwrl costs 109.409 real_cost = 312.152 3D-JIGSAW_RECOM_TS5 costs 109.398 real_cost = 311.944 3D-JIGSAW_RECOM_TS4-scwrl costs 109.409 real_cost = 312.152 3D-JIGSAW_RECOM_TS4 costs 109.398 real_cost = 311.944 3D-JIGSAW_RECOM_TS3-scwrl costs 102.395 real_cost = 367.388 3D-JIGSAW_RECOM_TS3 costs 102.388 real_cost = 366.421 3D-JIGSAW_RECOM_TS2-scwrl costs 102.395 real_cost = 367.388 3D-JIGSAW_RECOM_TS2 costs 102.388 real_cost = 366.421 3D-JIGSAW_RECOM_TS1-scwrl costs 108.062 real_cost = 304.213 3D-JIGSAW_RECOM_TS1 costs 108.120 real_cost = 303.406 3D-JIGSAW_POPULUS_TS5-scwrl costs 114.077 real_cost = 244.147 3D-JIGSAW_POPULUS_TS5 costs 114.047 real_cost = 243.335 3D-JIGSAW_POPULUS_TS4-scwrl costs 101.966 real_cost = 274.757 3D-JIGSAW_POPULUS_TS4 costs 101.936 real_cost = 273.621 3D-JIGSAW_POPULUS_TS3-scwrl costs 96.372 real_cost = 303.773 3D-JIGSAW_POPULUS_TS3 costs 96.372 real_cost = 303.773 3D-JIGSAW_POPULUS_TS2-scwrl costs 90.849 real_cost = 270.626 3D-JIGSAW_POPULUS_TS2 costs 90.803 real_cost = 268.789 3D-JIGSAW_POPULUS_TS1-scwrl costs 96.687 real_cost = 311.666 3D-JIGSAW_POPULUS_TS1 costs 96.718 real_cost = 308.472 T0304.try9-opt2.repack-nonPC.pdb.gz costs 92.182 real_cost = 194.815 T0304.try9-opt2.pdb.gz costs 92.182 real_cost = 192.033 T0304.try9-opt2.gromacs0.pdb.gz costs 73.723 real_cost = 191.239 T0304.try9-opt1.pdb.gz costs 78.332 real_cost = 193.947 T0304.try9-opt1-scwrl.pdb.gz costs 78.332 real_cost = 190.480 T0304.try8-opt2.repack-nonPC.pdb.gz costs 83.050 real_cost = 210.039 T0304.try8-opt2.pdb.gz costs 83.050 real_cost = 213.986 T0304.try8-opt2.gromacs0.pdb.gz costs 67.498 real_cost = 220.389 T0304.try8-opt1.pdb.gz costs 81.279 real_cost = 214.087 T0304.try8-opt1-scwrl.pdb.gz costs 81.279 real_cost = 208.915 T0304.try7-opt2.repack-nonPC.pdb.gz costs 88.105 real_cost = 228.330 T0304.try7-opt2.pdb.gz costs 88.105 real_cost = 226.439 T0304.try7-opt2.gromacs0.pdb.gz costs 74.269 real_cost = 227.071 T0304.try7-opt1.pdb.gz costs 82.510 real_cost = 227.616 T0304.try7-opt1-scwrl.pdb.gz costs 82.510 real_cost = 227.079 T0304.try6-opt2.repack-nonPC.pdb.gz costs 94.872 real_cost = 283.106 T0304.try6-opt2.pdb.gz costs 94.872 real_cost = 280.092 T0304.try6-opt2.gromacs0.pdb.gz costs 81.984 real_cost = 277.950 T0304.try6-opt1.pdb.gz costs 95.241 real_cost = 278.296 T0304.try6-opt1-scwrl.pdb.gz costs 95.241 real_cost = 280.753 T0304.try5-opt2.repack-nonPC.pdb.gz costs 94.507 real_cost = 281.799 T0304.try5-opt2.pdb.gz costs 94.507 real_cost = 278.762 T0304.try5-opt2.gromacs0.pdb.gz costs 82.899 real_cost = 277.880 T0304.try5-opt1.pdb.gz costs 88.645 real_cost = 279.117 T0304.try5-opt1-scwrl.pdb.gz costs 88.645 real_cost = 280.932 T0304.try4-opt2.repack-nonPC.pdb.gz costs 75.259 real_cost = 152.099 T0304.try4-opt2.pdb.gz costs 75.259 real_cost = 153.169 T0304.try4-opt2.gromacs0.pdb.gz costs 58.821 real_cost = 154.212 T0304.try4-opt1.pdb.gz costs 69.961 real_cost = 158.422 T0304.try4-opt1-scwrl.pdb.gz costs 69.961 real_cost = 154.902 T0304.try35-opt2.repack-nonPC.pdb.gz costs 150.258 real_cost = 319.216 T0304.try35-opt2.pdb.gz costs 150.258 real_cost = 316.363 T0304.try35-opt2.gromacs0.repack-nonPC.pdb.gz costs 137.524 real_cost = 316.537 T0304.try35-opt2.gromacs0.pdb.gz costs 137.524 real_cost = 317.202 T0304.try35-opt1.pdb.gz costs 148.963 real_cost = 318.665 T0304.try35-opt1-scwrl.pdb.gz costs 148.963 real_cost = 318.456 T0304.try34-opt2.repack-nonPC.pdb.gz costs 94.914 real_cost = 268.206 T0304.try34-opt2.pdb.gz costs 94.914 real_cost = 267.618 T0304.try34-opt2.gromacs0.repack-nonPC.pdb.gz costs 87.387 real_cost = 263.454 T0304.try34-opt2.gromacs0.pdb.gz costs 87.387 real_cost = 263.131 T0304.try34-opt1.pdb.gz costs 95.549 real_cost = 266.517 T0304.try34-opt1-scwrl.pdb.gz costs 95.549 real_cost = 269.911 T0304.try33-opt2.repack-nonPC.pdb.gz costs 79.465 real_cost = 189.558 T0304.try33-opt2.pdb.gz costs 79.465 real_cost = 185.989 T0304.try33-opt2.gromacs0.repack-nonPC.pdb.gz costs 72.266 real_cost = 189.893 T0304.try33-opt2.gromacs0.pdb.gz costs 72.266 real_cost = 190.218 T0304.try33-opt1.pdb.gz costs 79.757 real_cost = 184.922 T0304.try33-opt1-scwrl.pdb.gz costs 79.757 real_cost = 187.723 T0304.try32-opt2.repack-nonPC.pdb.gz costs 113.290 real_cost = 279.997 T0304.try32-opt2.pdb.gz costs 113.290 real_cost = 280.040 T0304.try32-opt2.gromacs0.repack-nonPC.pdb.gz costs 97.613 real_cost = 282.375 T0304.try32-opt2.gromacs0.pdb.gz costs 97.613 real_cost = 283.297 T0304.try32-opt1.pdb.gz costs 115.193 real_cost = 279.608 T0304.try32-opt1-scwrl.pdb.gz costs 115.193 real_cost = 278.952 T0304.try31-opt2.repack-nonPC.pdb.gz costs 76.533 real_cost = 255.889 T0304.try31-opt2.pdb.gz costs 76.533 real_cost = 254.454 T0304.try31-opt2.gromacs0.repack-nonPC.pdb.gz costs 63.834 real_cost = 249.716 T0304.try31-opt2.gromacs0.pdb.gz costs 63.834 real_cost = 250.688 T0304.try31-opt1.pdb.gz costs 72.995 real_cost = 261.491 T0304.try31-opt1-scwrl.pdb.gz costs 72.995 real_cost = 260.386 T0304.try30-opt2.repack-nonPC.pdb.gz costs 69.724 real_cost = 209.044 T0304.try30-opt2.pdb.gz costs 69.724 real_cost = 206.613 T0304.try30-opt2.gromacs0.repack-nonPC.pdb.gz costs 62.646 real_cost = 207.141 T0304.try30-opt2.gromacs0.pdb.gz costs 62.646 real_cost = 203.189 T0304.try30-opt1.pdb.gz costs 70.308 real_cost = 201.601 T0304.try30-opt1-scwrl.pdb.gz costs 70.308 real_cost = 200.594 T0304.try3-opt2.repack-nonPC.pdb.gz costs 72.260 real_cost = 113.386 T0304.try3-opt2.pdb.gz costs 72.260 real_cost = 118.726 T0304.try3-opt2.gromacs0.pdb.gz costs 59.523 real_cost = 118.754 T0304.try3-opt1.pdb.gz costs 66.678 real_cost = 120.859 T0304.try3-opt1-scwrl.pdb.gz costs 66.678 real_cost = 121.344 T0304.try29-opt2.repack-nonPC.pdb.gz costs 92.455 real_cost = 240.086 T0304.try29-opt2.pdb.gz costs 92.455 real_cost = 240.323 T0304.try29-opt2.gromacs0.repack-nonPC.pdb.gz costs 73.569 real_cost = 233.361 T0304.try29-opt2.gromacs0.pdb.gz costs 73.569 real_cost = 234.667 T0304.try29-opt1.pdb.gz costs 82.567 real_cost = 241.142 T0304.try29-opt1-scwrl.pdb.gz costs 82.567 real_cost = 240.728 T0304.try28-opt2.repack-nonPC.pdb.gz costs 140.650 real_cost = 321.376 T0304.try28-opt2.pdb.gz costs 140.650 real_cost = 317.833 T0304.try28-opt2.gromacs0.repack-nonPC.pdb.gz costs 137.322 real_cost = 316.271 T0304.try28-opt2.gromacs0.pdb.gz costs 137.322 real_cost = 316.127 T0304.try28-opt1.pdb.gz costs 140.454 real_cost = 319.445 T0304.try28-opt1-scwrl.pdb.gz costs 140.454 real_cost = 321.484 T0304.try27-opt2.repack-nonPC.pdb.gz costs 87.512 real_cost = 250.134 T0304.try27-opt2.pdb.gz costs 87.512 real_cost = 253.177 T0304.try27-opt2.gromacs0.repack-nonPC.pdb.gz costs 88.546 real_cost = 247.491 T0304.try27-opt2.gromacs0.pdb.gz costs 88.546 real_cost = 252.047 T0304.try27-opt1.pdb.gz costs 87.140 real_cost = 248.977 T0304.try27-opt1-scwrl.pdb.gz costs 87.140 real_cost = 247.228 T0304.try26-opt2.repack-nonPC.pdb.gz costs 94.240 real_cost = 266.168 T0304.try26-opt2.pdb.gz costs 94.240 real_cost = 263.390 T0304.try26-opt2.gromacs0.repack-nonPC.pdb.gz costs 87.631 real_cost = 264.848 T0304.try26-opt2.gromacs0.pdb.gz costs 87.631 real_cost = 263.388 T0304.try26-opt1.pdb.gz costs 94.408 real_cost = 262.471 T0304.try26-opt1-scwrl.pdb.gz costs 94.408 real_cost = 264.363 T0304.try25-opt2.pdb.gz costs 105.197 real_cost = 282.165 T0304.try25-opt2.gromacs0.pdb.gz costs 96.259 real_cost = 284.343 T0304.try25-opt1.pdb.gz costs 107.039 real_cost = 285.109 T0304.try25-opt1-scwrl.pdb.gz costs 107.039 real_cost = 284.487 T0304.try24-opt2.repack-nonPC.pdb.gz costs 114.123 real_cost = 260.686 T0304.try24-opt2.pdb.gz costs 114.123 real_cost = 260.633 T0304.try24-opt2.gromacs0.repack-nonPC.pdb.gz costs 107.066 real_cost = 261.676 T0304.try24-opt2.gromacs0.pdb.gz costs 107.066 real_cost = 261.911 T0304.try24-opt1.pdb.gz costs 115.910 real_cost = 260.050 T0304.try24-opt1-scwrl.pdb.gz costs 115.910 real_cost = 257.439 T0304.try23-opt2.repack-nonPC.pdb.gz costs 112.539 real_cost = 266.692 T0304.try23-opt2.pdb.gz costs 112.539 real_cost = 263.596 T0304.try23-opt2.gromacs0.repack-nonPC.pdb.gz costs 105.645 real_cost = 264.604 T0304.try23-opt2.gromacs0.pdb.gz costs 105.645 real_cost = 265.925 T0304.try23-opt1.pdb.gz costs 112.889 real_cost = 266.306 T0304.try23-opt1-scwrl.pdb.gz costs 112.889 real_cost = 268.439 T0304.try22-opt2.repack-nonPC.pdb.gz costs 104.361 real_cost = 229.111 T0304.try22-opt2.pdb.gz costs 104.361 real_cost = 224.916 T0304.try22-opt2.gromacs0.repack-nonPC.pdb.gz costs 82.693 real_cost = 235.456 T0304.try22-opt2.gromacs0.pdb.gz costs 82.693 real_cost = 228.868 T0304.try22-opt1.pdb.gz costs 94.241 real_cost = 228.359 T0304.try22-opt1-scwrl.pdb.gz costs 94.241 real_cost = 229.412 T0304.try21-opt2.repack-nonPC.pdb.gz costs 103.246 real_cost = 243.109 T0304.try21-opt2.pdb.gz costs 103.246 real_cost = 239.272 T0304.try21-opt2.gromacs0.repack-nonPC.pdb.gz costs 81.127 real_cost = 247.570 T0304.try21-opt2.gromacs0.pdb.gz costs 81.127 real_cost = 237.307 T0304.try21-opt1.pdb.gz costs 93.358 real_cost = 239.359 T0304.try21-opt1-scwrl.pdb.gz costs 93.358 real_cost = 248.208 T0304.try20-opt2.repack-nonPC.pdb.gz costs 102.688 real_cost = 264.972 T0304.try20-opt2.pdb.gz costs 102.688 real_cost = 259.675 T0304.try20-opt2.gromacs0.repack-nonPC.pdb.gz costs 89.933 real_cost = 266.187 T0304.try20-opt2.gromacs0.pdb.gz costs 89.933 real_cost = 262.684 T0304.try20-opt1.pdb.gz costs 92.809 real_cost = 258.274 T0304.try20-opt1-scwrl.pdb.gz costs 92.809 real_cost = 260.589 T0304.try2-opt2.repack-nonPC.pdb.gz costs 74.827 real_cost = 167.667 T0304.try2-opt2.pdb.gz costs 74.827 real_cost = 169.552 T0304.try2-opt2.gromacs0.pdb.gz costs 59.743 real_cost = 172.039 T0304.try2-opt1.pdb.gz costs 68.256 real_cost = 166.858 T0304.try2-opt1-scwrl.pdb.gz costs 68.256 real_cost = 165.519 T0304.try19-opt2.repack-nonPC.pdb.gz costs 72.900 real_cost = 210.843 T0304.try19-opt2.pdb.gz costs 72.900 real_cost = 208.697 T0304.try19-opt2.gromacs0.repack-nonPC.pdb.gz costs 63.585 real_cost = 206.723 T0304.try19-opt2.gromacs0.pdb.gz costs 63.585 real_cost = 206.243 T0304.try19-opt1.pdb.gz costs 64.867 real_cost = 199.642 T0304.try19-opt1-scwrl.pdb.gz costs 64.867 real_cost = 201.453 T0304.try18-opt2.repack-nonPC.pdb.gz costs 69.501 real_cost = 216.030 T0304.try18-opt2.pdb.gz costs 69.501 real_cost = 216.465 T0304.try18-opt2.gromacs0.repack-nonPC.pdb.gz costs 56.693 real_cost = 221.960 T0304.try18-opt2.gromacs0.pdb.gz costs 56.693 real_cost = 221.980 T0304.try18-opt1.pdb.gz costs 61.665 real_cost = 216.182 T0304.try18-opt1-scwrl.pdb.gz costs 61.665 real_cost = 213.712 T0304.try17-opt2.repack-nonPC.pdb.gz costs 86.530 real_cost = 186.600 T0304.try17-opt2.pdb.gz costs 86.530 real_cost = 182.963 T0304.try17-opt2.gromacs0.repack-nonPC.pdb.gz costs 72.108 real_cost = 190.282 T0304.try17-opt2.gromacs0.pdb.gz costs 72.108 real_cost = 190.015 T0304.try17-opt1.pdb.gz costs 83.142 real_cost = 190.301 T0304.try17-opt1-scwrl.pdb.gz costs 83.142 real_cost = 189.014 T0304.try16-opt2.repack-nonPC.pdb.gz costs 119.721 real_cost = 296.595 T0304.try16-opt2.pdb.gz costs 119.721 real_cost = 298.058 T0304.try16-opt2.gromacs0.repack-nonPC.pdb.gz costs 93.237 real_cost = 300.505 T0304.try16-opt2.gromacs0.pdb.gz costs 93.237 real_cost = 298.838 T0304.try16-opt1.pdb.gz costs 120.640 real_cost = 297.634 T0304.try16-opt1-scwrl.pdb.gz costs 120.640 real_cost = 294.830 T0304.try14-opt2.repack-nonPC.pdb.gz costs 115.644 real_cost = 273.211 T0304.try14-opt2.pdb.gz costs 115.644 real_cost = 274.119 T0304.try14-opt2.gromacs0.repack-nonPC.pdb.gz costs 97.748 real_cost = 269.993 T0304.try14-opt2.gromacs0.pdb.gz costs 97.748 real_cost = 273.224 T0304.try14-opt1.pdb.gz costs 108.870 real_cost = 268.466 T0304.try14-opt1-scwrl.pdb.gz costs 108.870 real_cost = 268.439 T0304.try13-opt2.repack-nonPC.pdb.gz costs 120.578 real_cost = 263.365 T0304.try13-opt2.pdb.gz costs 120.578 real_cost = 263.144 T0304.try13-opt2.gromacs0.pdb.gz costs 106.103 real_cost = 266.373 T0304.try13-opt1.pdb.gz costs 114.028 real_cost = 261.245 T0304.try13-opt1-scwrl.pdb.gz costs 114.028 real_cost = 261.134 T0304.try12-opt2.repack-nonPC.pdb.gz costs 152.904 real_cost = 316.727 T0304.try12-opt2.pdb.gz costs 152.904 real_cost = 316.699 T0304.try12-opt2.gromacs0.pdb.gz costs 137.203 real_cost = 317.787 T0304.try12-opt1.pdb.gz costs 148.975 real_cost = 317.312 T0304.try12-opt1-scwrl.pdb.gz costs 148.975 real_cost = 316.488 T0304.try11-opt2.repack-nonPC.pdb.gz costs 116.511 real_cost = 281.599 T0304.try11-opt2.pdb.gz costs 116.511 real_cost = 281.417 T0304.try11-opt2.gromacs0.pdb.gz costs 99.284 real_cost = 284.963 T0304.try11-opt1.pdb.gz costs 112.449 real_cost = 281.975 T0304.try11-opt1-scwrl.pdb.gz costs 112.449 real_cost = 280.841 T0304.try10-opt2.repack-nonPC.pdb.gz costs 103.034 real_cost = 242.176 T0304.try10-opt2.pdb.gz costs 103.034 real_cost = 241.787 T0304.try10-opt2.gromacs0.pdb.gz costs 79.241 real_cost = 248.438 T0304.try10-opt1.pdb.gz costs 93.520 real_cost = 244.528 T0304.try10-opt1-scwrl.pdb.gz costs 93.520 real_cost = 242.053 T0304.try1-opt2.repack-nonPC.pdb.gz costs 129.755 real_cost = 323.075 T0304.try1-opt2.pdb.gz costs 129.755 real_cost = 323.482 T0304.try1-opt1.pdb.gz costs 123.503 real_cost = 324.400 T0304.try1-opt1-scwrl.pdb.gz costs 123.503 real_cost = 322.095 ../model5.ts-submitted costs 94.872 real_cost = 279.800 ../model4.ts-submitted costs 113.874 real_cost = 280.044 ../model3.ts-submitted costs 76.533 real_cost = 252.553 ../model2.ts-submitted costs 114.123 real_cost = 260.645 ../model1.ts-submitted costs 94.914 real_cost = 268.436 align5 costs 86.391 real_cost = 316.245 align4 costs 83.000 real_cost = 442.760 align3 costs 71.867 real_cost = 330.097 align2 costs 85.546 real_cost = 335.572 align1 costs 93.928 real_cost = 343.629 T0304.try1-opt2.pdb costs 129.755 real_cost = 323.482 model5-scwrl costs 94.872 real_cost = 281.358 model5.ts-submitted costs 94.872 real_cost = 279.800 model4-scwrl costs 113.874 real_cost = 279.398 model4.ts-submitted costs 113.874 real_cost = 280.044 model3-scwrl costs 76.533 real_cost = 252.523 model3.ts-submitted costs 76.533 real_cost = 252.553 model2-scwrl costs 114.123 real_cost = 258.252 model2.ts-submitted costs 114.123 real_cost = 260.645 model1-scwrl costs 94.914 real_cost = 269.290 model1.ts-submitted costs 94.914 real_cost = 267.971 2h28A costs 55.942 real_cost = -872.800 # command:CPU_time= 342.600 sec, elapsed time= 490.912 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/T0304'