make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0382' /projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0382.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/T0382.} ;\ 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/T0382/ -e s/START_COL/1/ \ -e s/COSTFCN/anglevector/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2i9cA/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1182998916 # 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= 20.955 sec, elapsed time= 21.466 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= 21.208 sec, elapsed time= 21.778 sec. # command:# Prefix for input files set to # command:# Making conformation for sequence T0382 numbered 1 through 123 Created new target T0382 from T0382.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2i9cA expands to /projects/compbio/data/pdb/2i9c.pdb.gz 2i9cA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 134, because occupancy 0.5 <= existing 0.500 in 2i9cA Skipped atom 138, because occupancy 0.500 <= existing 0.500 in 2i9cA Skipped atom 140, because occupancy 0.500 <= existing 0.500 in 2i9cA Skipped atom 142, because occupancy 0.500 <= existing 0.500 in 2i9cA Skipped atom 144, because occupancy 0.500 <= existing 0.500 in 2i9cA Skipped atom 146, because occupancy 0.500 <= existing 0.500 in 2i9cA Skipped atom 156, because occupancy 0.500 <= existing 0.500 in 2i9cA Skipped atom 160, because occupancy 0.500 <= existing 0.500 in 2i9cA Skipped atom 162, because occupancy 0.500 <= existing 0.500 in 2i9cA Skipped atom 164, because occupancy 0.500 <= existing 0.500 in 2i9cA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 592, because occupancy 0.500 <= existing 0.500 in 2i9cA Skipped atom 596, because occupancy 0.500 <= existing 0.500 in 2i9cA Skipped atom 598, because occupancy 0.500 <= existing 0.500 in 2i9cA Skipped atom 600, because occupancy 0.500 <= existing 0.500 in 2i9cA Skipped atom 602, because occupancy 0.500 <= existing 0.500 in 2i9cA Skipped atom 604, because occupancy 0.500 <= existing 0.500 in 2i9cA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 848, because occupancy 0.500 <= existing 0.500 in 2i9cA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 852, because occupancy 0.500 <= existing 0.500 in 2i9cA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 854, because occupancy 0.500 <= existing 0.500 in 2i9cA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 856, because occupancy 0.500 <= existing 0.500 in 2i9cA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 858, because occupancy 0.500 <= existing 0.500 in 2i9cA Skipped atom 861, because occupancy 0.500 <= existing 0.500 in 2i9cA Skipped atom 865, because occupancy 0.500 <= existing 0.500 in 2i9cA Skipped atom 867, because occupancy 0.500 <= existing 0.500 in 2i9cA Skipped atom 910, because occupancy 0.500 <= existing 0.500 in 2i9cA Skipped atom 914, because occupancy 0.500 <= existing 0.500 in 2i9cA Skipped atom 916, because occupancy 0.500 <= existing 0.500 in 2i9cA Skipped atom 918, because occupancy 0.500 <= existing 0.500 in 2i9cA Skipped atom 920, because occupancy 0.500 <= existing 0.500 in 2i9cA Read 121 residues and 929 atoms. # choosing archetypes in rotamer library # WARNING: incomplete conformation T0382 can't currently be optimized by undertaker # copying to AlignedFragments data structure # command:# Saving current conformation as real # command:# Prefix for output files set to decoys/ # command:# SetRealCost created real_cost = # ( 50.000 * real_hbond + 50.000 * real_hbond_u + 50.000 * decoy_hbond + 50.000 * decoy_hbond_u + 10.000 * real_NO_hbond + 10.000 * real_NO_hbond_u + 10.000 * decoy_NO_hbond + 10.000 * decoy_NO_hbond_u + 10.000 * knot + 200.000 * clens + 0.000 * rmsd + 35.000 * log_rmsd + 0.000 * rmsd_ca + 30.000 * log_rmsd_ca + 1.000 * GDT + 1.000 * smooth_GDT + 0.200 * missing_atoms ) # command:# SetCost created cost = # ) # command:# reading script from file anglevector.costfcn # Prefix for input files set to /projects/compbio/lib/alphabet/ # Read 2 alphabets from anglevector.alphabet # Prefix for input files set to # CreateCombinedNNet created CombinedNNet bys_t2k # CreateCombinedNNet created CombinedNNet bys_t04 # CreateCombinedNNet created CombinedNNet bys_t06 # CreateCombinedNNet created CombinedNNet bys_mean # created predicted AngleVectorPredCostFcn pred_bys_t2k # created predicted AngleVectorPredCostFcn pred_bys_t04 # created predicted AngleVectorPredCostFcn pred_bys_t06 # created predicted AngleVectorPredCostFcn pred_bys_mean # CreateCombinedNNet created CombinedNNet pb_t2k # CreateCombinedNNet created CombinedNNet pb_t04 # CreateCombinedNNet created CombinedNNet pb_t06 # CreateCombinedNNet created CombinedNNet pb_mean # created predicted AngleVectorPredCostFcn pred_pb_t2k # created predicted AngleVectorPredCostFcn pred_pb_t04 # created predicted AngleVectorPredCostFcn pred_pb_t06 # created predicted AngleVectorPredCostFcn pred_pb_mean # SetCost created cost = # ( 5.000 * bystroff + 5.000 * pred_bys_t2k + 5.000 * pred_bys_t04 + 5.000 * pred_bys_t06 + 5.000 * pred_bys_mean + 5.000 * pred_pb_t2k + 5.000 * pred_pb_t04 + 5.000 * pred_pb_t06 + 5.000 * pred_pb_mean ) # command:CPU_time= 35.219 sec, elapsed time= 36.014 sec. # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file model1.ts-submitted looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model1.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -43.333 # GDT_score(maxd=8.000,maxw=2.900)= -42.183 # GDT_score(maxd=8.000,maxw=3.200)= -40.827 # GDT_score(maxd=8.000,maxw=3.500)= -39.335 # GDT_score(maxd=10.000,maxw=3.800)= -41.685 # GDT_score(maxd=10.000,maxw=4.000)= -40.591 # GDT_score(maxd=10.000,maxw=4.200)= -39.477 # GDT_score(maxd=12.000,maxw=4.300)= -42.684 # GDT_score(maxd=12.000,maxw=4.500)= -41.545 # GDT_score(maxd=12.000,maxw=4.700)= -40.441 # GDT_score(maxd=14.000,maxw=5.200)= -40.913 # GDT_score(maxd=14.000,maxw=5.500)= -39.315 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0382.model1-real.pdb for output Error: Couldn't open file T0382.model1-real.pdb for output superimposing iter= 0 total_weight= 1404.000 rmsd (weighted)= 11.176 (unweighted)= 12.905 superimposing iter= 1 total_weight= 2524.136 rmsd (weighted)= 6.497 (unweighted)= 13.049 superimposing iter= 2 total_weight= 1227.355 rmsd (weighted)= 5.537 (unweighted)= 13.222 superimposing iter= 3 total_weight= 1054.176 rmsd (weighted)= 5.105 (unweighted)= 13.466 superimposing iter= 4 total_weight= 1051.611 rmsd (weighted)= 4.706 (unweighted)= 13.807 superimposing iter= 5 total_weight= 1094.101 rmsd (weighted)= 4.248 (unweighted)= 14.184 EXPDTA model1.ts-submitted MODEL 1 REMARK 44 REMARK 44 model 1 is called model1.ts-submitted ATOM 1 N MET A 1 -5.315 39.431 -3.623 1.00 0.00 ATOM 2 CA MET A 1 -5.088 39.125 -5.059 1.00 0.00 ATOM 3 CB MET A 1 -6.359 38.554 -5.694 1.00 0.00 ATOM 4 CG MET A 1 -6.792 37.216 -5.118 1.00 0.00 ATOM 5 SD MET A 1 -5.590 35.907 -5.418 1.00 0.00 ATOM 6 CE MET A 1 -6.328 34.553 -4.507 1.00 0.00 ATOM 7 O MET A 1 -5.048 41.506 -5.466 1.00 0.00 ATOM 8 C MET A 1 -4.685 40.361 -5.834 1.00 0.00 ATOM 9 N SER A 2 -3.944 40.168 -6.915 1.00 0.00 ATOM 10 CA SER A 2 -3.377 41.263 -7.684 1.00 0.00 ATOM 11 CB SER A 2 -2.122 40.807 -8.431 1.00 0.00 ATOM 12 OG SER A 2 -2.445 39.876 -9.449 1.00 0.00 ATOM 13 O SER A 2 -5.436 41.114 -8.915 1.00 0.00 ATOM 14 C SER A 2 -4.379 41.724 -8.744 1.00 0.00 ATOM 15 N LYS A 3 -3.979 42.742 -9.500 1.00 0.00 ATOM 16 CA LYS A 3 -4.849 43.292 -10.552 1.00 0.00 ATOM 17 CB LYS A 3 -4.266 44.604 -11.083 1.00 0.00 ATOM 18 CG LYS A 3 -4.271 45.740 -10.073 1.00 0.00 ATOM 19 CD LYS A 3 -3.734 47.024 -10.686 1.00 0.00 ATOM 20 CE LYS A 3 -3.720 48.156 -9.670 1.00 0.00 ATOM 21 NZ LYS A 3 -3.184 49.416 -10.252 1.00 0.00 ATOM 22 O LYS A 3 -6.095 42.037 -12.178 1.00 0.00 ATOM 23 C LYS A 3 -4.998 42.254 -11.662 1.00 0.00 ATOM 24 N LEU A 4 -3.912 41.593 -11.989 1.00 0.00 ATOM 25 CA LEU A 4 -3.945 40.580 -13.037 1.00 0.00 ATOM 26 CB LEU A 4 -2.537 40.092 -13.382 1.00 0.00 ATOM 27 CG LEU A 4 -1.622 41.099 -14.083 1.00 0.00 ATOM 28 CD1 LEU A 4 -0.216 40.539 -14.227 1.00 0.00 ATOM 29 CD2 LEU A 4 -2.148 41.426 -15.473 1.00 0.00 ATOM 30 O LEU A 4 -5.487 38.788 -13.404 1.00 0.00 ATOM 31 C LEU A 4 -4.769 39.378 -12.593 1.00 0.00 ATOM 32 N ASP A 5 -4.684 39.021 -11.308 1.00 0.00 ATOM 33 CA ASP A 5 -5.477 37.898 -10.825 1.00 0.00 ATOM 34 CB ASP A 5 -5.189 37.643 -9.345 1.00 0.00 ATOM 35 CG ASP A 5 -3.807 37.063 -9.112 1.00 0.00 ATOM 36 OD1 ASP A 5 -3.167 36.640 -10.097 1.00 0.00 ATOM 37 OD2 ASP A 5 -3.366 37.033 -7.944 1.00 0.00 ATOM 38 O ASP A 5 -7.718 37.277 -11.419 1.00 0.00 ATOM 39 C ASP A 5 -6.970 38.165 -11.000 1.00 0.00 ATOM 40 N LEU A 6 -7.389 39.395 -10.719 1.00 0.00 ATOM 41 CA LEU A 6 -8.796 39.770 -10.853 1.00 0.00 ATOM 42 CB LEU A 6 -9.041 41.157 -10.252 1.00 0.00 ATOM 43 CG LEU A 6 -8.855 41.281 -8.735 1.00 0.00 ATOM 44 CD1 LEU A 6 -8.986 42.743 -8.313 1.00 0.00 ATOM 45 CD2 LEU A 6 -9.896 40.424 -8.020 1.00 0.00 ATOM 46 O LEU A 6 -10.284 39.321 -12.691 1.00 0.00 ATOM 47 C LEU A 6 -9.188 39.764 -12.323 1.00 0.00 ATOM 48 N HIS A 7 -8.285 40.253 -13.167 1.00 0.00 ATOM 49 CA HIS A 7 -8.534 40.300 -14.601 1.00 0.00 ATOM 50 CB HIS A 7 -7.353 40.942 -15.329 1.00 0.00 ATOM 51 CG HIS A 7 -7.507 40.978 -16.818 1.00 0.00 ATOM 52 CD2 HIS A 7 -6.929 40.249 -17.937 1.00 0.00 ATOM 53 ND1 HIS A 7 -8.360 41.850 -17.457 1.00 0.00 ATOM 54 CE1 HIS A 7 -8.281 41.645 -18.784 1.00 0.00 ATOM 55 NE2 HIS A 7 -7.425 40.686 -19.080 1.00 0.00 ATOM 56 O HIS A 7 -9.669 38.621 -15.866 1.00 0.00 ATOM 57 C HIS A 7 -8.723 38.888 -15.125 1.00 0.00 ATOM 58 N GLN A 8 -7.792 38.004 -14.770 1.00 0.00 ATOM 59 CA GLN A 8 -7.865 36.605 -15.213 1.00 0.00 ATOM 60 CB GLN A 8 -6.562 35.921 -14.878 1.00 0.00 ATOM 61 CG GLN A 8 -5.427 36.561 -15.696 1.00 0.00 ATOM 62 CD GLN A 8 -5.465 36.140 -17.172 1.00 0.00 ATOM 63 OE1 GLN A 8 -5.858 35.001 -17.492 1.00 0.00 ATOM 64 NE2 GLN A 8 -5.104 37.069 -18.071 1.00 0.00 ATOM 65 O GLN A 8 -9.639 34.963 -15.283 1.00 0.00 ATOM 66 C GLN A 8 -9.127 35.909 -14.666 1.00 0.00 ATOM 67 N MET A 9 -9.473 36.223 -13.427 1.00 0.00 ATOM 68 CA MET A 9 -10.650 35.648 -12.800 1.00 0.00 ATOM 69 CB MET A 9 -10.720 36.046 -11.323 1.00 0.00 ATOM 70 CG MET A 9 -9.651 35.399 -10.457 1.00 0.00 ATOM 71 SD MET A 9 -9.753 35.909 -8.729 1.00 0.00 ATOM 72 CE MET A 9 -8.369 35.015 -8.030 1.00 0.00 ATOM 73 O MET A 9 -12.135 37.298 -13.690 1.00 0.00 ATOM 74 C MET A 9 -11.941 36.115 -13.460 1.00 0.00 ATOM 75 N THR A 10 -12.822 35.172 -13.766 1.00 0.00 ATOM 76 CA THR A 10 -14.186 35.486 -14.173 1.00 0.00 ATOM 77 CB THR A 10 -14.944 34.227 -14.635 1.00 0.00 ATOM 78 CG2 THR A 10 -14.206 33.554 -15.783 1.00 0.00 ATOM 79 OG1 THR A 10 -15.049 33.303 -13.545 1.00 0.00 ATOM 80 O THR A 10 -14.535 36.058 -11.840 1.00 0.00 ATOM 81 C THR A 10 -14.955 36.110 -13.003 1.00 0.00 ATOM 82 N THR A 11 -16.106 36.694 -13.275 1.00 0.00 ATOM 83 CA THR A 11 -16.971 37.174 -12.199 1.00 0.00 ATOM 84 CB THR A 11 -18.298 37.713 -12.764 1.00 0.00 ATOM 85 CG2 THR A 11 -19.182 38.233 -11.640 1.00 0.00 ATOM 86 OG1 THR A 11 -18.033 38.782 -13.679 1.00 0.00 ATOM 87 O THR A 11 -17.314 36.294 -9.987 1.00 0.00 ATOM 88 C THR A 11 -17.291 36.065 -11.198 1.00 0.00 ATOM 89 N GLN A 12 -17.596 34.842 -11.718 1.00 0.00 ATOM 90 CA GLN A 12 -17.924 33.684 -10.886 1.00 0.00 ATOM 91 CB GLN A 12 -18.120 32.440 -11.756 1.00 0.00 ATOM 92 CG GLN A 12 -18.498 31.191 -10.976 1.00 0.00 ATOM 93 CD GLN A 12 -18.704 29.985 -11.872 1.00 0.00 ATOM 94 OE1 GLN A 12 -18.486 30.055 -13.081 1.00 0.00 ATOM 95 NE2 GLN A 12 -19.128 28.874 -11.279 1.00 0.00 ATOM 96 O GLN A 12 -16.979 33.142 -8.746 1.00 0.00 ATOM 97 C GLN A 12 -16.771 33.377 -9.937 1.00 0.00 ATOM 98 N ASP A 13 -15.551 33.392 -10.461 1.00 0.00 ATOM 99 CA ASP A 13 -14.383 33.120 -9.640 1.00 0.00 ATOM 100 CB ASP A 13 -13.145 33.064 -10.492 1.00 0.00 ATOM 101 CG ASP A 13 -13.000 31.760 -11.266 1.00 0.00 ATOM 102 OD1 ASP A 13 -13.731 30.811 -10.938 1.00 0.00 ATOM 103 OD2 ASP A 13 -12.150 31.699 -12.182 1.00 0.00 ATOM 104 O ASP A 13 -13.744 33.887 -7.422 1.00 0.00 ATOM 105 C ASP A 13 -14.194 34.179 -8.557 1.00 0.00 ATOM 106 N LEU A 14 -14.498 35.415 -8.917 1.00 0.00 ATOM 107 CA LEU A 14 -14.423 36.519 -7.957 1.00 0.00 ATOM 108 CB LEU A 14 -14.566 37.893 -8.623 1.00 0.00 ATOM 109 CG LEU A 14 -13.464 38.166 -9.645 1.00 0.00 ATOM 110 CD1 LEU A 14 -13.848 39.396 -10.452 1.00 0.00 ATOM 111 CD2 LEU A 14 -12.100 38.296 -8.951 1.00 0.00 ATOM 112 O LEU A 14 -15.039 36.459 -5.687 1.00 0.00 ATOM 113 C LEU A 14 -15.405 36.294 -6.825 1.00 0.00 ATOM 114 N VAL A 15 -16.636 35.915 -7.134 1.00 0.00 ATOM 115 CA VAL A 15 -17.611 35.653 -6.025 1.00 0.00 ATOM 116 CB VAL A 15 -19.002 35.343 -6.649 1.00 0.00 ATOM 117 CG1 VAL A 15 -19.958 34.862 -5.562 1.00 0.00 ATOM 118 CG2 VAL A 15 -19.561 36.580 -7.343 1.00 0.00 ATOM 119 O VAL A 15 -17.275 34.567 -3.945 1.00 0.00 ATOM 120 C VAL A 15 -17.158 34.504 -5.156 1.00 0.00 ATOM 121 N ALA A 16 -16.745 33.439 -5.773 1.00 0.00 ATOM 122 CA ALA A 16 -16.333 32.293 -4.981 1.00 0.00 ATOM 123 CB ALA A 16 -15.981 31.121 -5.908 1.00 0.00 ATOM 124 O ALA A 16 -15.153 32.337 -2.880 1.00 0.00 ATOM 125 C ALA A 16 -15.140 32.642 -4.096 1.00 0.00 ATOM 126 N LEU A 17 -14.124 33.287 -4.616 1.00 0.00 ATOM 127 CA LEU A 17 -12.963 33.710 -3.852 1.00 0.00 ATOM 128 CB LEU A 17 -11.916 34.378 -4.734 1.00 0.00 ATOM 129 CG LEU A 17 -10.571 34.670 -4.073 1.00 0.00 ATOM 130 CD1 LEU A 17 -9.918 33.363 -3.648 1.00 0.00 ATOM 131 CD2 LEU A 17 -9.659 35.439 -5.015 1.00 0.00 ATOM 132 O LEU A 17 -12.830 34.643 -1.611 1.00 0.00 ATOM 133 C LEU A 17 -13.342 34.704 -2.739 1.00 0.00 ATOM 134 N PHE A 18 -14.276 35.590 -3.056 1.00 0.00 ATOM 135 CA PHE A 18 -14.768 36.548 -2.051 1.00 0.00 ATOM 136 CB PHE A 18 -15.748 37.527 -2.766 1.00 0.00 ATOM 137 CG PHE A 18 -16.295 38.621 -1.875 1.00 0.00 ATOM 138 CD1 PHE A 18 -15.621 39.843 -1.752 1.00 0.00 ATOM 139 CD2 PHE A 18 -17.473 38.433 -1.160 1.00 0.00 ATOM 140 CE1 PHE A 18 -16.122 40.859 -0.925 1.00 0.00 ATOM 141 CE2 PHE A 18 -17.982 39.442 -0.328 1.00 0.00 ATOM 142 CZ PHE A 18 -17.310 40.654 -0.211 1.00 0.00 ATOM 143 O PHE A 18 -15.215 36.229 0.305 1.00 0.00 ATOM 144 C PHE A 18 -15.490 35.893 -0.851 1.00 0.00 ATOM 145 N ALA A 19 -16.399 34.983 -1.119 1.00 0.00 ATOM 146 CA ALA A 19 -17.115 34.327 -0.021 1.00 0.00 ATOM 147 CB ALA A 19 -18.267 33.500 -0.579 1.00 0.00 ATOM 148 O ALA A 19 -16.245 33.465 2.020 1.00 0.00 ATOM 149 C ALA A 19 -16.145 33.491 0.801 1.00 0.00 ATOM 150 N LYS A 20 -15.198 32.810 0.142 1.00 0.00 ATOM 151 CA LYS A 20 -14.206 32.028 0.873 1.00 0.00 ATOM 152 CB LYS A 20 -13.276 31.267 -0.055 1.00 0.00 ATOM 153 CG LYS A 20 -12.339 30.322 0.688 1.00 0.00 ATOM 154 CD LYS A 20 -11.553 29.462 -0.288 1.00 0.00 ATOM 155 CE LYS A 20 -10.643 28.494 0.447 1.00 0.00 ATOM 156 NZ LYS A 20 -9.965 27.580 -0.514 1.00 0.00 ATOM 157 O LYS A 20 -13.136 32.569 2.942 1.00 0.00 ATOM 158 C LYS A 20 -13.358 32.909 1.781 1.00 0.00 ATOM 159 N VAL A 21 -12.970 34.116 1.298 1.00 0.00 ATOM 160 CA VAL A 21 -12.186 35.047 2.099 1.00 0.00 ATOM 161 CB VAL A 21 -11.758 36.292 1.298 1.00 0.00 ATOM 162 CG1 VAL A 21 -11.178 37.348 2.227 1.00 0.00 ATOM 163 CG2 VAL A 21 -10.702 35.925 0.267 1.00 0.00 ATOM 164 O VAL A 21 -12.646 35.524 4.403 1.00 0.00 ATOM 165 C VAL A 21 -13.077 35.505 3.264 1.00 0.00 ATOM 166 N THR A 22 -14.342 35.823 2.966 1.00 0.00 ATOM 167 CA THR A 22 -15.294 36.256 3.992 1.00 0.00 ATOM 168 CB THR A 22 -16.697 36.512 3.349 1.00 0.00 ATOM 169 CG2 THR A 22 -17.722 37.060 4.410 1.00 0.00 ATOM 170 OG1 THR A 22 -16.556 37.473 2.284 1.00 0.00 ATOM 171 O THR A 22 -15.511 35.553 6.300 1.00 0.00 ATOM 172 C THR A 22 -15.517 35.224 5.100 1.00 0.00 ATOM 173 N VAL A 23 -15.710 33.981 4.710 1.00 0.00 ATOM 174 CA VAL A 23 -15.911 32.929 5.671 1.00 0.00 ATOM 175 CB VAL A 23 -16.201 31.583 4.983 1.00 0.00 ATOM 176 CG1 VAL A 23 -16.212 30.454 6.003 1.00 0.00 ATOM 177 CG2 VAL A 23 -17.556 31.618 4.291 1.00 0.00 ATOM 178 O VAL A 23 -14.792 32.702 7.788 1.00 0.00 ATOM 179 C VAL A 23 -14.678 32.794 6.556 1.00 0.00 ATOM 180 N GLU A 24 -13.463 32.809 5.969 1.00 0.00 ATOM 181 CA GLU A 24 -12.255 32.694 6.793 1.00 0.00 ATOM 182 CB GLU A 24 -11.010 32.628 5.905 1.00 0.00 ATOM 183 CG GLU A 24 -10.871 31.330 5.125 1.00 0.00 ATOM 184 CD GLU A 24 -9.698 31.349 4.166 1.00 0.00 ATOM 185 OE1 GLU A 24 -9.037 32.401 4.058 1.00 0.00 ATOM 186 OE2 GLU A 24 -9.441 30.311 3.521 1.00 0.00 ATOM 187 O GLU A 24 -11.666 33.745 8.853 1.00 0.00 ATOM 188 C GLU A 24 -12.091 33.910 7.727 1.00 0.00 ATOM 189 N GLN A 25 -12.446 35.111 7.259 1.00 0.00 ATOM 190 CA GLN A 25 -12.378 36.341 8.061 1.00 0.00 ATOM 191 CB GLN A 25 -12.884 37.536 7.252 1.00 0.00 ATOM 192 CG GLN A 25 -12.821 38.861 7.996 1.00 0.00 ATOM 193 CD GLN A 25 -13.312 40.025 7.157 1.00 0.00 ATOM 194 OE1 GLN A 25 -13.784 39.839 6.035 1.00 0.00 ATOM 195 NE2 GLN A 25 -13.199 41.231 7.698 1.00 0.00 ATOM 196 O GLN A 25 -12.871 36.469 10.419 1.00 0.00 ATOM 197 C GLN A 25 -13.265 36.159 9.295 1.00 0.00 ATOM 198 N ASP A 26 -14.460 35.628 9.081 1.00 0.00 ATOM 199 CA ASP A 26 -15.412 35.416 10.169 1.00 0.00 ATOM 200 CB ASP A 26 -16.734 34.866 9.627 1.00 0.00 ATOM 201 CG ASP A 26 -17.539 35.915 8.887 1.00 0.00 ATOM 202 OD1 ASP A 26 -17.198 37.111 8.993 1.00 0.00 ATOM 203 OD2 ASP A 26 -18.514 35.539 8.200 1.00 0.00 ATOM 204 O ASP A 26 -14.947 34.637 12.381 1.00 0.00 ATOM 205 C ASP A 26 -14.847 34.412 11.177 1.00 0.00 ATOM 206 N ASP A 27 -14.250 33.325 10.697 1.00 0.00 ATOM 207 CA ASP A 27 -13.619 32.370 11.600 1.00 0.00 ATOM 208 CB ASP A 27 -12.999 31.215 10.811 1.00 0.00 ATOM 209 CG ASP A 27 -14.041 30.276 10.236 1.00 0.00 ATOM 210 OD1 ASP A 27 -15.218 30.377 10.641 1.00 0.00 ATOM 211 OD2 ASP A 27 -13.681 29.441 9.381 1.00 0.00 ATOM 212 O ASP A 27 -12.393 32.912 13.648 1.00 0.00 ATOM 213 C ASP A 27 -12.503 33.079 12.412 1.00 0.00 ATOM 214 N ALA A 28 -11.687 33.875 11.731 1.00 0.00 ATOM 215 CA ALA A 28 -10.589 34.604 12.404 1.00 0.00 ATOM 216 CB ALA A 28 -9.742 35.348 11.381 1.00 0.00 ATOM 217 O ALA A 28 -10.617 35.757 14.528 1.00 0.00 ATOM 218 C ALA A 28 -11.160 35.604 13.430 1.00 0.00 ATOM 219 N LEU A 29 -12.266 36.256 13.075 1.00 0.00 ATOM 220 CA LEU A 29 -12.904 37.210 13.961 1.00 0.00 ATOM 221 CB LEU A 29 -14.166 37.783 13.312 1.00 0.00 ATOM 222 CG LEU A 29 -14.994 38.741 14.170 1.00 0.00 ATOM 223 CD1 LEU A 29 -14.180 39.971 14.540 1.00 0.00 ATOM 224 CD2 LEU A 29 -16.234 39.199 13.418 1.00 0.00 ATOM 225 O LEU A 29 -13.059 37.013 16.361 1.00 0.00 ATOM 226 C LEU A 29 -13.333 36.507 15.278 1.00 0.00 ATOM 227 N LEU A 30 -13.998 35.359 15.154 1.00 0.00 ATOM 228 CA LEU A 30 -14.439 34.543 16.295 1.00 0.00 ATOM 229 CB LEU A 30 -15.274 33.354 15.811 1.00 0.00 ATOM 230 CG LEU A 30 -16.636 33.687 15.200 1.00 0.00 ATOM 231 CD1 LEU A 30 -17.288 32.438 14.626 1.00 0.00 ATOM 232 CD2 LEU A 30 -17.569 34.267 16.251 1.00 0.00 ATOM 233 O LEU A 30 -13.395 33.820 18.308 1.00 0.00 ATOM 234 C LEU A 30 -13.254 34.013 17.074 1.00 0.00 ATOM 235 N GLY A 31 -12.132 33.780 16.412 1.00 0.00 ATOM 236 CA GLY A 31 -10.943 33.313 17.106 1.00 0.00 ATOM 237 O GLY A 31 -9.207 34.130 18.507 1.00 0.00 ATOM 238 C GLY A 31 -10.209 34.408 17.849 1.00 0.00 ATOM 239 N ASN A 32 -10.721 35.676 17.738 1.00 0.00 ATOM 240 CA ASN A 32 -10.043 36.868 18.266 1.00 0.00 ATOM 241 CB ASN A 32 -10.041 36.866 19.797 1.00 0.00 ATOM 242 CG ASN A 32 -11.431 37.022 20.383 1.00 0.00 ATOM 243 ND2 ASN A 32 -11.628 36.495 21.584 1.00 0.00 ATOM 244 OD1 ASN A 32 -12.314 37.611 19.758 1.00 0.00 ATOM 245 O ASN A 32 -7.740 37.566 18.498 1.00 0.00 ATOM 246 C ASN A 32 -8.580 36.977 17.813 1.00 0.00 ATOM 247 N GLN A 33 -8.304 36.442 16.627 1.00 0.00 ATOM 248 CA GLN A 33 -7.007 36.580 15.973 1.00 0.00 ATOM 249 CB GLN A 33 -6.518 35.158 15.464 1.00 0.00 ATOM 250 CG GLN A 33 -6.845 33.976 16.374 1.00 0.00 ATOM 251 CD GLN A 33 -6.678 32.648 15.671 1.00 0.00 ATOM 252 OE1 GLN A 33 -5.559 32.217 15.412 1.00 0.00 ATOM 253 NE2 GLN A 33 -7.782 32.001 15.366 1.00 0.00 ATOM 254 O GLN A 33 -7.243 37.883 13.932 1.00 0.00 ATOM 255 C GLN A 33 -7.041 37.880 15.125 1.00 0.00 ATOM 256 N ILE A 34 -6.871 39.020 15.858 1.00 0.00 ATOM 257 CA ILE A 34 -6.919 40.333 15.277 1.00 0.00 ATOM 258 CB ILE A 34 -6.648 41.473 16.277 1.00 0.00 ATOM 259 CG1 ILE A 34 -7.700 41.469 17.387 1.00 0.00 ATOM 260 CG2 ILE A 34 -6.695 42.821 15.573 1.00 0.00 ATOM 261 CD1 ILE A 34 -7.368 42.381 18.547 1.00 0.00 ATOM 262 O ILE A 34 -6.306 41.048 13.088 1.00 0.00 ATOM 263 C ILE A 34 -5.943 40.506 14.122 1.00 0.00 ATOM 264 N SER A 35 -4.587 40.184 14.193 1.00 0.00 ATOM 265 CA SER A 35 -3.668 40.350 13.086 1.00 0.00 ATOM 266 CB SER A 35 -2.335 39.684 13.437 1.00 0.00 ATOM 267 OG SER A 35 -1.658 40.403 14.453 1.00 0.00 ATOM 268 O SER A 35 -4.166 40.229 10.748 1.00 0.00 ATOM 269 C SER A 35 -4.225 39.659 11.832 1.00 0.00 ATOM 270 N ARG A 36 -4.732 38.433 11.983 1.00 0.00 ATOM 271 CA ARG A 36 -5.260 37.697 10.829 1.00 0.00 ATOM 272 CB ARG A 36 -5.485 36.223 11.240 1.00 0.00 ATOM 273 CG ARG A 36 -4.223 35.431 11.503 1.00 0.00 ATOM 274 CD ARG A 36 -4.560 34.031 11.982 1.00 0.00 ATOM 275 NE ARG A 36 -3.382 33.174 12.025 1.00 0.00 ATOM 276 CZ ARG A 36 -3.395 31.905 12.424 1.00 0.00 ATOM 277 NH1 ARG A 36 -4.528 31.344 12.825 1.00 0.00 ATOM 278 NH2 ARG A 36 -2.277 31.192 12.402 1.00 0.00 ATOM 279 O ARG A 36 -6.757 38.439 9.157 1.00 0.00 ATOM 280 C ARG A 36 -6.537 38.344 10.337 1.00 0.00 ATOM 281 N PHE A 37 -7.381 38.824 11.270 1.00 0.00 ATOM 282 CA PHE A 37 -8.620 39.439 10.863 1.00 0.00 ATOM 283 CB PHE A 37 -9.461 39.809 12.086 1.00 0.00 ATOM 284 CG PHE A 37 -10.781 40.441 11.746 1.00 0.00 ATOM 285 CD1 PHE A 37 -11.843 39.668 11.311 1.00 0.00 ATOM 286 CD2 PHE A 37 -10.959 41.810 11.860 1.00 0.00 ATOM 287 CE1 PHE A 37 -13.058 40.250 10.999 1.00 0.00 ATOM 288 CE2 PHE A 37 -12.173 42.391 11.547 1.00 0.00 ATOM 289 CZ PHE A 37 -13.219 41.618 11.117 1.00 0.00 ATOM 290 O PHE A 37 -8.914 40.941 8.999 1.00 0.00 ATOM 291 C PHE A 37 -8.286 40.693 10.039 1.00 0.00 ATOM 292 N ASN A 38 -7.318 41.451 10.499 1.00 0.00 ATOM 293 CA ASN A 38 -6.938 42.681 9.778 1.00 0.00 ATOM 294 CB ASN A 38 -5.871 43.452 10.468 1.00 0.00 ATOM 295 CG ASN A 38 -6.390 44.070 11.739 1.00 0.00 ATOM 296 ND2 ASN A 38 -5.487 44.396 12.662 1.00 0.00 ATOM 297 OD1 ASN A 38 -7.601 44.255 11.890 1.00 0.00 ATOM 298 O ASN A 38 -6.920 42.879 7.398 1.00 0.00 ATOM 299 C ASN A 38 -6.475 42.290 8.380 1.00 0.00 ATOM 300 N ARG A 39 -5.600 41.297 8.282 1.00 0.00 ATOM 301 CA ARG A 39 -5.042 40.910 6.969 1.00 0.00 ATOM 302 CB ARG A 39 -4.004 39.806 7.149 1.00 0.00 ATOM 303 CG ARG A 39 -3.266 39.423 5.868 1.00 0.00 ATOM 304 CD ARG A 39 -2.246 38.336 6.067 1.00 0.00 ATOM 305 NE ARG A 39 -2.873 37.098 6.515 1.00 0.00 ATOM 306 CZ ARG A 39 -3.434 36.185 5.730 1.00 0.00 ATOM 307 NH1 ARG A 39 -3.445 36.329 4.394 1.00 0.00 ATOM 308 NH2 ARG A 39 -3.979 35.107 6.265 1.00 0.00 ATOM 309 O ARG A 39 -6.111 40.880 4.817 1.00 0.00 ATOM 310 C ARG A 39 -6.125 40.480 5.982 1.00 0.00 ATOM 311 N LEU A 40 -7.077 39.677 6.440 1.00 0.00 ATOM 312 CA LEU A 40 -8.162 39.195 5.589 1.00 0.00 ATOM 313 CB LEU A 40 -8.941 38.082 6.291 1.00 0.00 ATOM 314 CG LEU A 40 -8.204 36.757 6.488 1.00 0.00 ATOM 315 CD1 LEU A 40 -9.022 35.810 7.352 1.00 0.00 ATOM 316 CD2 LEU A 40 -7.947 36.080 5.151 1.00 0.00 ATOM 317 O LEU A 40 -9.498 40.413 4.016 1.00 0.00 ATOM 318 C LEU A 40 -9.128 40.319 5.186 1.00 0.00 ATOM 319 N PHE A 41 -9.520 41.174 6.144 1.00 0.00 ATOM 320 CA PHE A 41 -10.429 42.272 5.803 1.00 0.00 ATOM 321 CB PHE A 41 -10.788 43.101 7.037 1.00 0.00 ATOM 322 CG PHE A 41 -11.676 44.276 6.742 1.00 0.00 ATOM 323 CD1 PHE A 41 -13.036 44.105 6.556 1.00 0.00 ATOM 324 CD2 PHE A 41 -11.150 45.554 6.651 1.00 0.00 ATOM 325 CE1 PHE A 41 -13.853 45.186 6.285 1.00 0.00 ATOM 326 CE2 PHE A 41 -11.966 46.634 6.379 1.00 0.00 ATOM 327 CZ PHE A 41 -13.312 46.456 6.198 1.00 0.00 ATOM 328 O PHE A 41 -10.428 43.595 3.792 1.00 0.00 ATOM 329 C PHE A 41 -9.772 43.165 4.747 1.00 0.00 ATOM 330 N GLY A 42 -8.523 43.480 4.939 1.00 0.00 ATOM 331 CA GLY A 42 -7.819 44.375 4.037 1.00 0.00 ATOM 332 O GLY A 42 -7.794 44.430 1.610 1.00 0.00 ATOM 333 C GLY A 42 -7.629 43.759 2.632 1.00 0.00 ATOM 334 N VAL A 43 -7.243 42.487 2.595 1.00 0.00 ATOM 335 CA VAL A 43 -7.064 41.765 1.341 1.00 0.00 ATOM 336 CB VAL A 43 -6.570 40.328 1.584 1.00 0.00 ATOM 337 CG1 VAL A 43 -6.559 39.540 0.282 1.00 0.00 ATOM 338 CG2 VAL A 43 -5.157 40.337 2.150 1.00 0.00 ATOM 339 O VAL A 43 -8.415 41.944 -0.605 1.00 0.00 ATOM 340 C VAL A 43 -8.415 41.732 0.620 1.00 0.00 ATOM 341 N MET A 44 -9.545 41.498 1.331 1.00 0.00 ATOM 342 CA MET A 44 -10.860 41.495 0.703 1.00 0.00 ATOM 343 CB MET A 44 -11.901 41.209 1.785 1.00 0.00 ATOM 344 CG MET A 44 -13.335 41.200 1.280 1.00 0.00 ATOM 345 SD MET A 44 -14.535 40.929 2.597 1.00 0.00 ATOM 346 CE MET A 44 -14.463 42.502 3.450 1.00 0.00 ATOM 347 O MET A 44 -11.585 42.925 -1.101 1.00 0.00 ATOM 348 C MET A 44 -11.142 42.856 0.064 1.00 0.00 ATOM 349 N ALA A 45 -10.874 43.931 0.815 1.00 0.00 ATOM 350 CA ALA A 45 -11.109 45.301 0.311 1.00 0.00 ATOM 351 CB ALA A 45 -10.794 46.323 1.392 1.00 0.00 ATOM 352 O ALA A 45 -10.652 46.189 -1.871 1.00 0.00 ATOM 353 C ALA A 45 -10.215 45.588 -0.909 1.00 0.00 ATOM 354 N GLU A 46 -8.963 45.135 -0.859 1.00 0.00 ATOM 355 CA GLU A 46 -8.043 45.248 -1.993 1.00 0.00 ATOM 356 CB GLU A 46 -6.693 44.614 -1.652 1.00 0.00 ATOM 357 CG GLU A 46 -5.659 44.720 -2.762 1.00 0.00 ATOM 358 CD GLU A 46 -4.326 44.112 -2.376 1.00 0.00 ATOM 359 OE1 GLU A 46 -4.206 43.617 -1.236 1.00 0.00 ATOM 360 OE2 GLU A 46 -3.400 44.128 -3.216 1.00 0.00 ATOM 361 O GLU A 46 -8.603 45.085 -4.339 1.00 0.00 ATOM 362 C GLU A 46 -8.605 44.533 -3.240 1.00 0.00 ATOM 363 N ILE A 47 -9.121 43.325 -3.076 1.00 0.00 ATOM 364 CA ILE A 47 -9.685 42.566 -4.211 1.00 0.00 ATOM 365 CB ILE A 47 -10.144 41.170 -3.774 1.00 0.00 ATOM 366 CG1 ILE A 47 -8.918 40.326 -3.413 1.00 0.00 ATOM 367 CG2 ILE A 47 -10.963 40.507 -4.880 1.00 0.00 ATOM 368 CD1 ILE A 47 -9.249 38.999 -2.768 1.00 0.00 ATOM 369 O ILE A 47 -10.975 43.499 -6.064 1.00 0.00 ATOM 370 C ILE A 47 -10.862 43.347 -4.831 1.00 0.00 ATOM 371 N ALA A 48 -11.710 43.851 -3.960 1.00 0.00 ATOM 372 CA ALA A 48 -12.932 44.532 -4.358 1.00 0.00 ATOM 373 CB ALA A 48 -13.759 44.855 -3.149 1.00 0.00 ATOM 374 O ALA A 48 -13.257 46.088 -6.117 1.00 0.00 ATOM 375 C ALA A 48 -12.625 45.810 -5.099 1.00 0.00 ATOM 376 N ASP A 49 -11.679 46.592 -4.575 1.00 0.00 ATOM 377 CA ASP A 49 -11.253 47.813 -5.255 1.00 0.00 ATOM 378 CB ASP A 49 -10.175 48.558 -4.429 1.00 0.00 ATOM 379 CG ASP A 49 -10.740 49.280 -3.229 1.00 0.00 ATOM 380 OD1 ASP A 49 -11.920 49.703 -3.278 1.00 0.00 ATOM 381 OD2 ASP A 49 -9.988 49.446 -2.249 1.00 0.00 ATOM 382 O ASP A 49 -10.942 48.291 -7.576 1.00 0.00 ATOM 383 C ASP A 49 -10.665 47.525 -6.634 1.00 0.00 ATOM 384 N GLU A 50 -9.916 46.403 -6.746 1.00 0.00 ATOM 385 CA GLU A 50 -9.361 46.038 -8.011 1.00 0.00 ATOM 386 CB GLU A 50 -8.445 44.821 -7.859 1.00 0.00 ATOM 387 CG GLU A 50 -7.164 45.100 -7.094 1.00 0.00 ATOM 388 CD GLU A 50 -6.351 43.846 -6.840 1.00 0.00 ATOM 389 OE1 GLU A 50 -6.824 42.749 -7.203 1.00 0.00 ATOM 390 OE2 GLU A 50 -5.241 43.961 -6.279 1.00 0.00 ATOM 391 O GLU A 50 -10.475 46.263 -10.148 1.00 0.00 ATOM 392 C GLU A 50 -10.448 45.698 -9.045 1.00 0.00 ATOM 393 N LEU A 51 -11.370 44.817 -8.709 1.00 0.00 ATOM 394 CA LEU A 51 -12.445 44.390 -9.603 1.00 0.00 ATOM 395 CB LEU A 51 -13.207 43.175 -9.069 1.00 0.00 ATOM 396 CG LEU A 51 -14.273 42.582 -9.996 1.00 0.00 ATOM 397 CD1 LEU A 51 -13.650 42.121 -11.304 1.00 0.00 ATOM 398 CD2 LEU A 51 -14.947 41.387 -9.342 1.00 0.00 ATOM 399 O LEU A 51 -14.054 45.477 -11.002 1.00 0.00 ATOM 400 C LEU A 51 -13.515 45.407 -9.872 1.00 0.00 ATOM 401 N LYS A 52 -13.887 46.245 -8.890 1.00 0.00 ATOM 402 CA LYS A 52 -14.963 47.216 -9.088 1.00 0.00 ATOM 403 CB LYS A 52 -15.289 47.960 -7.792 1.00 0.00 ATOM 404 CG LYS A 52 -15.885 47.080 -6.704 1.00 0.00 ATOM 405 CD LYS A 52 -16.153 47.875 -5.437 1.00 0.00 ATOM 406 CE LYS A 52 -16.781 47.003 -4.361 1.00 0.00 ATOM 407 NZ LYS A 52 -17.039 47.767 -3.109 1.00 0.00 ATOM 408 O LYS A 52 -15.565 48.914 -10.700 1.00 0.00 ATOM 409 C LYS A 52 -14.653 48.278 -10.163 1.00 0.00 ATOM 410 N ALA A 53 -13.368 48.464 -10.460 1.00 0.00 ATOM 411 CA ALA A 53 -12.907 49.397 -11.478 1.00 0.00 ATOM 412 CB ALA A 53 -11.522 49.828 -11.227 1.00 0.00 ATOM 413 O ALA A 53 -12.774 49.482 -13.863 1.00 0.00 ATOM 414 C ALA A 53 -12.938 48.776 -12.882 1.00 0.00 ATOM 415 N ARG A 54 -13.036 47.451 -12.973 1.00 0.00 ATOM 416 CA ARG A 54 -12.949 46.797 -14.262 1.00 0.00 ATOM 417 CB ARG A 54 -12.872 45.293 -14.104 1.00 0.00 ATOM 418 CG ARG A 54 -11.615 44.834 -13.342 1.00 0.00 ATOM 419 CD ARG A 54 -10.320 45.317 -14.011 1.00 0.00 ATOM 420 NE ARG A 54 -9.091 44.712 -13.473 1.00 0.00 ATOM 421 CZ ARG A 54 -8.212 45.318 -12.666 1.00 0.00 ATOM 422 NH1 ARG A 54 -8.384 46.573 -12.271 1.00 0.00 ATOM 423 NH2 ARG A 54 -7.132 44.666 -12.249 1.00 0.00 ATOM 424 O ARG A 54 -14.128 46.920 -16.347 1.00 0.00 ATOM 425 C ARG A 54 -14.157 47.130 -15.136 1.00 0.00 ATOM 426 N ASP A 55 -15.195 47.700 -14.533 1.00 0.00 ATOM 427 CA ASP A 55 -16.390 48.071 -15.287 1.00 0.00 ATOM 428 CB ASP A 55 -17.632 48.151 -14.414 1.00 0.00 ATOM 429 CG ASP A 55 -17.539 49.161 -13.272 1.00 0.00 ATOM 430 OD1 ASP A 55 -16.524 49.875 -13.159 1.00 0.00 ATOM 431 OD2 ASP A 55 -18.490 49.230 -12.471 1.00 0.00 ATOM 432 O ASP A 55 -17.114 49.952 -16.602 1.00 0.00 ATOM 433 C ASP A 55 -16.213 49.443 -15.933 1.00 0.00 ATOM 434 N GLY A 56 -15.037 50.039 -15.724 1.00 0.00 ATOM 435 CA GLY A 56 -14.763 51.340 -16.309 1.00 0.00 ATOM 436 O GLY A 56 -15.317 53.649 -16.128 1.00 0.00 ATOM 437 C GLY A 56 -15.330 52.542 -15.580 1.00 0.00 ATOM 438 N ASP A 57 -15.854 52.328 -14.355 1.00 0.00 ATOM 439 CA ASP A 57 -16.393 53.448 -13.583 1.00 0.00 ATOM 440 CB ASP A 57 -16.993 52.938 -12.272 1.00 0.00 ATOM 441 CG ASP A 57 -18.324 52.238 -12.474 1.00 0.00 ATOM 442 OD1 ASP A 57 -18.874 52.318 -13.594 1.00 0.00 ATOM 443 OD2 ASP A 57 -18.815 51.611 -11.514 1.00 0.00 ATOM 444 O ASP A 57 -14.114 53.984 -13.021 1.00 0.00 ATOM 445 C ASP A 57 -15.250 54.408 -13.264 1.00 0.00 ATOM 446 N GLN A 58 -15.537 55.718 -13.270 1.00 0.00 ATOM 447 CA GLN A 58 -14.536 56.734 -12.982 1.00 0.00 ATOM 448 CB GLN A 58 -15.253 57.936 -12.228 1.00 0.00 ATOM 449 CG GLN A 58 -16.802 58.076 -12.489 1.00 0.00 ATOM 450 CD GLN A 58 -17.153 58.950 -13.708 1.00 0.00 ATOM 451 OE1 GLN A 58 -18.028 58.595 -14.511 1.00 0.00 ATOM 452 NE2 GLN A 58 -16.496 60.085 -13.840 1.00 0.00 ATOM 453 O GLN A 58 -12.731 57.055 -11.429 1.00 0.00 ATOM 454 C GLN A 58 -13.848 56.572 -11.627 1.00 0.00 ATOM 455 N ARG A 59 -14.576 55.594 -10.834 1.00 0.00 ATOM 456 CA ARG A 59 -13.965 55.267 -9.563 1.00 0.00 ATOM 457 CB ARG A 59 -14.897 54.394 -8.722 1.00 0.00 ATOM 458 CG ARG A 59 -16.104 55.131 -8.164 1.00 0.00 ATOM 459 CD ARG A 59 -17.004 54.196 -7.372 1.00 0.00 ATOM 460 NE ARG A 59 -17.640 53.196 -8.226 1.00 0.00 ATOM 461 CZ ARG A 59 -18.577 52.348 -7.813 1.00 0.00 ATOM 462 NH1 ARG A 59 -19.099 51.473 -8.661 1.00 0.00 ATOM 463 NH2 ARG A 59 -18.989 52.378 -6.552 1.00 0.00 ATOM 464 O ARG A 59 -11.862 54.310 -8.912 1.00 0.00 ATOM 465 C ARG A 59 -12.675 54.500 -9.819 1.00 0.00 ATOM 466 N THR A 60 -12.505 54.065 -11.067 1.00 0.00 ATOM 467 CA THR A 60 -11.290 53.341 -11.423 1.00 0.00 ATOM 468 CB THR A 60 -11.387 52.738 -12.836 1.00 0.00 ATOM 469 CG2 THR A 60 -10.097 52.013 -13.195 1.00 0.00 ATOM 470 OG1 THR A 60 -12.474 51.806 -12.888 1.00 0.00 ATOM 471 O THR A 60 -9.010 53.789 -11.028 1.00 0.00 ATOM 472 C THR A 60 -10.069 54.244 -11.387 1.00 0.00 ATOM 473 N ALA A 61 -10.236 55.525 -11.694 1.00 0.00 ATOM 474 CA ALA A 61 -9.140 56.479 -11.506 1.00 0.00 ATOM 475 CB ALA A 61 -9.565 57.872 -11.944 1.00 0.00 ATOM 476 O ALA A 61 -7.550 56.540 -9.704 1.00 0.00 ATOM 477 C ALA A 61 -8.740 56.521 -10.036 1.00 0.00 ATOM 478 N LEU A 62 -9.733 56.553 -9.152 1.00 0.00 ATOM 479 CA LEU A 62 -9.462 56.585 -7.718 1.00 0.00 ATOM 480 CB LEU A 62 -10.764 56.765 -6.932 1.00 0.00 ATOM 481 CG LEU A 62 -11.451 58.125 -7.061 1.00 0.00 ATOM 482 CD1 LEU A 62 -12.810 58.108 -6.381 1.00 0.00 ATOM 483 CD2 LEU A 62 -10.611 59.217 -6.417 1.00 0.00 ATOM 484 O LEU A 62 -7.906 55.355 -6.384 1.00 0.00 ATOM 485 C LEU A 62 -8.809 55.307 -7.219 1.00 0.00 ATOM 486 N LEU A 63 -9.265 54.161 -7.717 1.00 0.00 ATOM 487 CA LEU A 63 -8.684 52.893 -7.295 1.00 0.00 ATOM 488 CB LEU A 63 -9.415 51.725 -7.981 1.00 0.00 ATOM 489 CG LEU A 63 -10.897 51.585 -7.613 1.00 0.00 ATOM 490 CD1 LEU A 63 -11.473 50.346 -8.284 1.00 0.00 ATOM 491 CD2 LEU A 63 -11.053 51.484 -6.097 1.00 0.00 ATOM 492 O LEU A 63 -6.395 52.343 -6.857 1.00 0.00 ATOM 493 C LEU A 63 -7.194 52.850 -7.635 1.00 0.00 ATOM 494 N SER A 64 -6.834 53.407 -8.775 1.00 0.00 ATOM 495 CA SER A 64 -5.421 53.429 -9.162 1.00 0.00 ATOM 496 CB SER A 64 -5.267 54.014 -10.568 1.00 0.00 ATOM 497 OG SER A 64 -5.888 53.187 -11.536 1.00 0.00 ATOM 498 O SER A 64 -3.474 53.892 -7.852 1.00 0.00 ATOM 499 C SER A 64 -4.598 54.252 -8.181 1.00 0.00 ATOM 500 N LEU A 65 -5.184 55.348 -7.727 1.00 0.00 ATOM 501 CA LEU A 65 -4.478 56.195 -6.774 1.00 0.00 ATOM 502 CB LEU A 65 -5.283 57.463 -6.478 1.00 0.00 ATOM 503 CG LEU A 65 -5.493 58.422 -7.652 1.00 0.00 ATOM 504 CD1 LEU A 65 -6.404 59.570 -7.250 1.00 0.00 ATOM 505 CD2 LEU A 65 -4.166 59.005 -8.114 1.00 0.00 ATOM 506 O LEU A 65 -3.319 55.912 -4.677 1.00 0.00 ATOM 507 C LEU A 65 -4.192 55.487 -5.451 1.00 0.00 ATOM 508 N PHE A 66 -4.920 54.405 -5.183 1.00 0.00 ATOM 509 CA PHE A 66 -4.628 53.649 -3.971 1.00 0.00 ATOM 510 CB PHE A 66 -5.744 52.553 -3.865 1.00 0.00 ATOM 511 CG PHE A 66 -5.591 51.645 -2.685 1.00 0.00 ATOM 512 CD1 PHE A 66 -6.232 51.926 -1.487 1.00 0.00 ATOM 513 CD2 PHE A 66 -4.805 50.503 -2.785 1.00 0.00 ATOM 514 CE1 PHE A 66 -6.081 51.066 -0.394 1.00 0.00 ATOM 515 CE2 PHE A 66 -4.649 49.655 -1.714 1.00 0.00 ATOM 516 CZ PHE A 66 -5.287 49.928 -0.516 1.00 0.00 ATOM 517 O PHE A 66 -2.545 53.154 -2.943 1.00 0.00 ATOM 518 C PHE A 66 -3.162 53.279 -3.993 1.00 0.00 ATOM 519 N GLU A 67 -2.591 53.131 -5.187 1.00 0.00 ATOM 520 CA GLU A 67 -1.159 52.813 -5.314 1.00 0.00 ATOM 521 CB GLU A 67 -0.921 51.912 -6.528 1.00 0.00 ATOM 522 CG GLU A 67 -1.567 50.541 -6.421 1.00 0.00 ATOM 523 CD GLU A 67 -1.310 49.678 -7.641 1.00 0.00 ATOM 524 OE1 GLU A 67 -0.614 50.149 -8.564 1.00 0.00 ATOM 525 OE2 GLU A 67 -1.805 48.532 -7.672 1.00 0.00 ATOM 526 O GLU A 67 0.980 53.870 -5.687 1.00 0.00 ATOM 527 C GLU A 67 -0.217 54.032 -5.495 1.00 0.00 ATOM 528 N TYR A 68 -0.794 55.258 -5.524 1.00 0.00 ATOM 529 CA TYR A 68 0.006 56.477 -5.710 1.00 0.00 ATOM 530 CB TYR A 68 -0.959 57.701 -5.687 1.00 0.00 ATOM 531 CG TYR A 68 -0.563 58.858 -6.559 1.00 0.00 ATOM 532 CD1 TYR A 68 0.102 59.953 -6.075 1.00 0.00 ATOM 533 CD2 TYR A 68 -0.863 58.818 -7.924 1.00 0.00 ATOM 534 CE1 TYR A 68 0.461 60.999 -6.910 1.00 0.00 ATOM 535 CE2 TYR A 68 -0.530 59.856 -8.756 1.00 0.00 ATOM 536 CZ TYR A 68 0.151 60.962 -8.242 1.00 0.00 ATOM 537 OH TYR A 68 0.440 61.978 -9.124 1.00 0.00 ATOM 538 O TYR A 68 1.012 56.437 -3.524 1.00 0.00 ATOM 539 C TYR A 68 1.171 56.668 -4.725 1.00 0.00 ATOM 540 N PRO A 69 2.319 56.983 -5.224 1.00 0.00 ATOM 541 CA PRO A 69 3.485 57.204 -4.346 1.00 0.00 ATOM 542 CB PRO A 69 4.560 57.774 -5.288 1.00 0.00 ATOM 543 CG PRO A 69 4.216 57.092 -6.653 1.00 0.00 ATOM 544 CD PRO A 69 2.662 57.104 -6.655 1.00 0.00 ATOM 545 O PRO A 69 4.043 58.342 -2.316 1.00 0.00 ATOM 546 C PRO A 69 3.311 58.288 -3.293 1.00 0.00 ATOM 547 N ASN A 70 2.298 59.205 -3.557 1.00 0.00 ATOM 548 CA ASN A 70 2.040 60.328 -2.673 1.00 0.00 ATOM 549 CB ASN A 70 1.455 61.504 -3.458 1.00 0.00 ATOM 550 CG ASN A 70 1.288 62.747 -2.607 1.00 0.00 ATOM 551 ND2 ASN A 70 1.301 63.908 -3.250 1.00 0.00 ATOM 552 OD1 ASN A 70 1.151 62.662 -1.387 1.00 0.00 ATOM 553 O ASN A 70 -0.049 59.408 -1.936 1.00 0.00 ATOM 554 C ASN A 70 1.054 59.861 -1.608 1.00 0.00 ATOM 555 N MET A 71 1.479 59.931 -0.370 1.00 0.00 ATOM 556 CA MET A 71 0.637 59.492 0.734 1.00 0.00 ATOM 557 CB MET A 71 1.370 59.663 2.065 1.00 0.00 ATOM 558 CG MET A 71 2.511 58.682 2.277 1.00 0.00 ATOM 559 SD MET A 71 3.182 58.743 3.949 1.00 0.00 ATOM 560 CE MET A 71 4.092 60.285 3.892 1.00 0.00 ATOM 561 O MET A 71 -1.731 59.704 1.102 1.00 0.00 ATOM 562 C MET A 71 -0.674 60.271 0.812 1.00 0.00 ATOM 563 N GLN A 72 -0.573 61.552 0.569 1.00 0.00 ATOM 564 CA GLN A 72 -1.717 62.462 0.623 1.00 0.00 ATOM 565 CB GLN A 72 -1.336 63.920 0.353 1.00 0.00 ATOM 566 CG GLN A 72 -0.532 64.568 1.467 1.00 0.00 ATOM 567 CD GLN A 72 -0.076 65.970 1.117 1.00 0.00 ATOM 568 OE1 GLN A 72 -0.282 66.438 -0.003 1.00 0.00 ATOM 569 NE2 GLN A 72 0.548 66.645 2.076 1.00 0.00 ATOM 570 O GLN A 72 -3.965 62.078 -0.109 1.00 0.00 ATOM 571 C GLN A 72 -2.764 62.052 -0.392 1.00 0.00 ATOM 572 N VAL A 73 -2.308 61.668 -1.580 1.00 0.00 ATOM 573 CA VAL A 73 -3.232 61.256 -2.639 1.00 0.00 ATOM 574 CB VAL A 73 -2.502 61.071 -3.982 1.00 0.00 ATOM 575 CG1 VAL A 73 -3.440 60.472 -5.018 1.00 0.00 ATOM 576 CG2 VAL A 73 -2.000 62.409 -4.504 1.00 0.00 ATOM 577 O VAL A 73 -5.155 59.793 -2.476 1.00 0.00 ATOM 578 C VAL A 73 -3.925 59.921 -2.285 1.00 0.00 ATOM 579 N ARG A 74 -3.147 58.945 -1.787 1.00 0.00 ATOM 580 CA ARG A 74 -3.691 57.665 -1.361 1.00 0.00 ATOM 581 CB ARG A 74 -2.640 56.746 -0.749 1.00 0.00 ATOM 582 CG ARG A 74 -1.481 56.456 -1.709 1.00 0.00 ATOM 583 CD ARG A 74 -0.454 55.517 -1.133 1.00 0.00 ATOM 584 NE ARG A 74 -0.938 54.137 -1.166 1.00 0.00 ATOM 585 CZ ARG A 74 -0.166 53.081 -1.372 1.00 0.00 ATOM 586 NH1 ARG A 74 1.138 53.193 -1.490 1.00 0.00 ATOM 587 NH2 ARG A 74 -0.725 51.856 -1.459 1.00 0.00 ATOM 588 O ARG A 74 -5.821 57.131 -0.378 1.00 0.00 ATOM 589 C ARG A 74 -4.797 57.826 -0.329 1.00 0.00 ATOM 590 N LEU A 75 -4.612 58.789 0.561 1.00 0.00 ATOM 591 CA LEU A 75 -5.589 59.043 1.609 1.00 0.00 ATOM 592 CB LEU A 75 -5.097 60.098 2.601 1.00 0.00 ATOM 593 CG LEU A 75 -6.071 60.489 3.713 1.00 0.00 ATOM 594 CD1 LEU A 75 -6.399 59.289 4.588 1.00 0.00 ATOM 595 CD2 LEU A 75 -5.472 61.571 4.599 1.00 0.00 ATOM 596 O LEU A 75 -7.950 59.071 1.369 1.00 0.00 ATOM 597 C LEU A 75 -6.878 59.553 1.008 1.00 0.00 ATOM 598 N GLN A 76 -6.806 60.516 0.084 1.00 0.00 ATOM 599 CA GLN A 76 -8.035 61.010 -0.544 1.00 0.00 ATOM 600 CB GLN A 76 -7.726 62.166 -1.496 1.00 0.00 ATOM 601 CG GLN A 76 -7.308 63.450 -0.797 1.00 0.00 ATOM 602 CD GLN A 76 -6.899 64.537 -1.772 1.00 0.00 ATOM 603 OE1 GLN A 76 -6.839 64.311 -2.980 1.00 0.00 ATOM 604 NE2 GLN A 76 -6.618 65.725 -1.248 1.00 0.00 ATOM 605 O GLN A 76 -9.988 59.835 -1.402 1.00 0.00 ATOM 606 C GLN A 76 -8.748 59.895 -1.355 1.00 0.00 ATOM 607 N ALA A 77 -7.966 59.031 -2.009 1.00 0.00 ATOM 608 CA ALA A 77 -8.536 57.924 -2.794 1.00 0.00 ATOM 609 CB ALA A 77 -7.432 57.164 -3.517 1.00 0.00 ATOM 610 O ALA A 77 -10.383 56.525 -2.144 1.00 0.00 ATOM 611 C ALA A 77 -9.279 56.990 -1.841 1.00 0.00 ATOM 612 N ALA A 78 -8.650 56.710 -0.714 1.00 0.00 ATOM 613 CA ALA A 78 -9.241 55.814 0.280 1.00 0.00 ATOM 614 CB ALA A 78 -8.298 55.616 1.455 1.00 0.00 ATOM 615 O ALA A 78 -11.576 55.651 0.881 1.00 0.00 ATOM 616 C ALA A 78 -10.562 56.356 0.831 1.00 0.00 ATOM 617 N LYS A 79 -10.555 57.621 1.213 1.00 0.00 ATOM 618 CA LYS A 79 -11.752 58.257 1.762 1.00 0.00 ATOM 619 CB LYS A 79 -11.438 59.654 2.250 1.00 0.00 ATOM 620 CG LYS A 79 -12.613 60.473 2.833 1.00 0.00 ATOM 621 CD LYS A 79 -12.129 61.859 3.237 1.00 0.00 ATOM 622 CE LYS A 79 -13.258 62.708 3.816 1.00 0.00 ATOM 623 NZ LYS A 79 -12.735 63.739 4.772 1.00 0.00 ATOM 624 O LYS A 79 -14.007 58.073 0.936 1.00 0.00 ATOM 625 C LYS A 79 -12.833 58.335 0.684 1.00 0.00 ATOM 626 N LEU A 80 -12.431 58.677 -0.534 1.00 0.00 ATOM 627 CA LEU A 80 -13.408 58.753 -1.606 1.00 0.00 ATOM 628 CB LEU A 80 -12.743 59.219 -2.903 1.00 0.00 ATOM 629 CG LEU A 80 -12.290 60.679 -2.947 1.00 0.00 ATOM 630 CD1 LEU A 80 -11.482 60.953 -4.207 1.00 0.00 ATOM 631 CD2 LEU A 80 -13.488 61.615 -2.938 1.00 0.00 ATOM 632 O LEU A 80 -15.297 57.303 -2.007 1.00 0.00 ATOM 633 C LEU A 80 -14.066 57.400 -1.884 1.00 0.00 ATOM 634 N THR A 81 -13.257 56.353 -1.978 1.00 0.00 ATOM 635 CA THR A 81 -13.827 55.040 -2.261 1.00 0.00 ATOM 636 CB THR A 81 -12.677 54.052 -2.650 1.00 0.00 ATOM 637 CG2 THR A 81 -13.240 52.656 -2.929 1.00 0.00 ATOM 638 OG1 THR A 81 -12.013 54.524 -3.826 1.00 0.00 ATOM 639 O THR A 81 -15.709 53.977 -1.274 1.00 0.00 ATOM 640 C THR A 81 -14.656 54.563 -1.085 1.00 0.00 ATOM 641 N LEU A 82 -14.210 54.792 0.131 1.00 0.00 ATOM 642 CA LEU A 82 -14.979 54.335 1.305 1.00 0.00 ATOM 643 CB LEU A 82 -14.382 54.776 2.593 1.00 0.00 ATOM 644 CG LEU A 82 -12.978 54.181 2.790 1.00 0.00 ATOM 645 CD1 LEU A 82 -12.264 54.750 4.012 1.00 0.00 ATOM 646 CD2 LEU A 82 -13.021 52.652 2.852 1.00 0.00 ATOM 647 O LEU A 82 -17.322 54.163 1.665 1.00 0.00 ATOM 648 C LEU A 82 -16.402 54.876 1.308 1.00 0.00 ATOM 649 N ALA A 83 -16.588 56.122 0.882 1.00 0.00 ATOM 650 CA ALA A 83 -17.913 56.735 0.854 1.00 0.00 ATOM 651 CB ALA A 83 -17.805 58.214 0.509 1.00 0.00 ATOM 652 O ALA A 83 -20.096 56.190 0.021 1.00 0.00 ATOM 653 C ALA A 83 -18.877 56.080 -0.129 1.00 0.00 ATOM 654 N VAL A 84 -18.358 55.397 -1.151 1.00 0.00 ATOM 655 CA VAL A 84 -19.178 54.705 -2.142 1.00 0.00 ATOM 656 CB VAL A 84 -18.468 54.608 -3.504 1.00 0.00 ATOM 657 CG1 VAL A 84 -18.140 55.996 -4.033 1.00 0.00 ATOM 658 CG2 VAL A 84 -17.171 53.825 -3.375 1.00 0.00 ATOM 659 O VAL A 84 -20.271 52.610 -2.406 1.00 0.00 ATOM 660 C VAL A 84 -19.520 53.299 -1.719 1.00 0.00 ATOM 661 N ALA A 85 -19.001 52.783 -0.619 1.00 0.00 ATOM 662 CA ALA A 85 -19.308 51.464 -0.100 1.00 0.00 ATOM 663 CB ALA A 85 -18.094 50.876 0.603 1.00 0.00 ATOM 664 O ALA A 85 -20.691 52.663 1.458 1.00 0.00 ATOM 665 C ALA A 85 -20.400 51.584 0.945 1.00 0.00 ATOM 666 N PRO A 86 -21.063 50.465 1.222 1.00 0.00 ATOM 667 CA PRO A 86 -22.142 50.417 2.206 1.00 0.00 ATOM 668 CB PRO A 86 -22.593 48.967 2.186 1.00 0.00 ATOM 669 CG PRO A 86 -22.141 48.458 0.841 1.00 0.00 ATOM 670 CD PRO A 86 -20.795 49.123 0.646 1.00 0.00 ATOM 671 O PRO A 86 -20.486 50.883 3.824 1.00 0.00 ATOM 672 C PRO A 86 -21.666 51.011 3.512 1.00 0.00 ATOM 673 N VAL A 87 -22.552 51.699 4.344 1.00 0.00 ATOM 674 CA VAL A 87 -22.105 52.353 5.576 1.00 0.00 ATOM 675 CB VAL A 87 -23.293 52.993 6.315 1.00 0.00 ATOM 676 CG1 VAL A 87 -22.878 53.426 7.713 1.00 0.00 ATOM 677 CG2 VAL A 87 -23.795 54.214 5.562 1.00 0.00 ATOM 678 O VAL A 87 -20.615 51.736 7.349 1.00 0.00 ATOM 679 C VAL A 87 -21.487 51.362 6.567 1.00 0.00 ATOM 680 N LYS A 88 -21.923 50.121 6.507 1.00 0.00 ATOM 681 CA LYS A 88 -21.350 49.115 7.406 1.00 0.00 ATOM 682 CB LYS A 88 -22.076 47.777 7.239 1.00 0.00 ATOM 683 CG LYS A 88 -23.526 47.799 7.691 1.00 0.00 ATOM 684 CD LYS A 88 -24.194 46.452 7.469 1.00 0.00 ATOM 685 CE LYS A 88 -25.635 46.462 7.954 1.00 0.00 ATOM 686 NZ LYS A 88 -26.306 45.152 7.729 1.00 0.00 ATOM 687 O LYS A 88 -19.118 48.577 8.157 1.00 0.00 ATOM 688 C LYS A 88 -19.840 48.948 7.192 1.00 0.00 ATOM 689 N ALA A 89 -19.367 49.147 5.975 1.00 0.00 ATOM 690 CA ALA A 89 -17.912 49.017 5.754 1.00 0.00 ATOM 691 CB ALA A 89 -17.550 49.192 4.287 1.00 0.00 ATOM 692 O ALA A 89 -16.086 49.674 7.189 1.00 0.00 ATOM 693 C ALA A 89 -17.138 50.013 6.630 1.00 0.00 ATOM 694 N ARG A 90 -17.639 51.258 6.725 1.00 0.00 ATOM 695 CA ARG A 90 -17.038 52.267 7.606 1.00 0.00 ATOM 696 CB ARG A 90 -18.280 53.384 7.825 1.00 0.00 ATOM 697 CG ARG A 90 -19.163 53.793 6.615 1.00 0.00 ATOM 698 CD ARG A 90 -18.406 54.724 5.651 1.00 0.00 ATOM 699 NE ARG A 90 -19.252 55.128 4.519 1.00 0.00 ATOM 700 CZ ARG A 90 -19.519 54.366 3.460 1.00 0.00 ATOM 701 NH1 ARG A 90 -20.313 54.816 2.472 1.00 0.00 ATOM 702 NH2 ARG A 90 -18.956 53.176 3.353 1.00 0.00 ATOM 703 O ARG A 90 -16.031 51.999 9.772 1.00 0.00 ATOM 704 C ARG A 90 -17.009 51.784 9.058 1.00 0.00 ATOM 705 N GLU A 91 -18.092 51.156 9.480 1.00 0.00 ATOM 706 CA GLU A 91 -18.182 50.645 10.847 1.00 0.00 ATOM 707 CB GLU A 91 -19.406 49.909 11.156 1.00 0.00 ATOM 708 CG GLU A 91 -20.619 50.863 11.188 1.00 0.00 ATOM 709 CD GLU A 91 -21.928 50.196 11.644 1.00 0.00 ATOM 710 OE1 GLU A 91 -21.998 48.967 11.747 1.00 0.00 ATOM 711 OE2 GLU A 91 -22.911 50.932 11.856 1.00 0.00 ATOM 712 O GLU A 91 -16.377 49.651 12.092 1.00 0.00 ATOM 713 C GLU A 91 -17.097 49.593 11.092 1.00 0.00 ATOM 714 N GLN A 92 -16.955 48.662 10.168 1.00 0.00 ATOM 715 CA GLN A 92 -15.938 47.618 10.273 1.00 0.00 ATOM 716 CB GLN A 92 -16.088 46.572 9.166 1.00 0.00 ATOM 717 CG GLN A 92 -17.337 45.716 9.287 1.00 0.00 ATOM 718 CD GLN A 92 -17.510 44.769 8.115 1.00 0.00 ATOM 719 OE1 GLN A 92 -16.748 44.815 7.150 1.00 0.00 ATOM 720 NE2 GLN A 92 -18.517 43.905 8.197 1.00 0.00 ATOM 721 O GLN A 92 -13.653 47.862 10.966 1.00 0.00 ATOM 722 C GLN A 92 -14.549 48.265 10.232 1.00 0.00 ATOM 723 N LEU A 93 -14.388 49.233 9.340 1.00 0.00 ATOM 724 CA LEU A 93 -13.118 49.951 9.241 1.00 0.00 ATOM 725 CB LEU A 93 -13.151 50.969 8.098 1.00 0.00 ATOM 726 CG LEU A 93 -13.236 50.392 6.684 1.00 0.00 ATOM 727 CD1 LEU A 93 -13.432 51.515 5.678 1.00 0.00 ATOM 728 CD2 LEU A 93 -11.966 49.614 6.374 1.00 0.00 ATOM 729 O LEU A 93 -11.608 50.682 10.959 1.00 0.00 ATOM 730 C LEU A 93 -12.770 50.659 10.546 1.00 0.00 ATOM 731 N GLU A 94 -13.784 51.232 11.189 1.00 0.00 ATOM 732 CA GLU A 94 -13.585 51.936 12.451 1.00 0.00 ATOM 733 CB GLU A 94 -14.890 52.537 12.956 1.00 0.00 ATOM 734 CG GLU A 94 -15.506 53.530 11.972 1.00 0.00 ATOM 735 CD GLU A 94 -16.834 54.113 12.428 1.00 0.00 ATOM 736 OE1 GLU A 94 -17.708 53.351 12.898 1.00 0.00 ATOM 737 OE2 GLU A 94 -17.010 55.343 12.298 1.00 0.00 ATOM 738 O GLU A 94 -12.168 51.325 14.282 1.00 0.00 ATOM 739 C GLU A 94 -13.059 50.978 13.512 1.00 0.00 ATOM 740 N ALA A 95 -13.603 49.772 13.556 1.00 0.00 ATOM 741 CA ALA A 95 -13.183 48.763 14.516 1.00 0.00 ATOM 742 CB ALA A 95 -13.969 47.478 14.308 1.00 0.00 ATOM 743 O ALA A 95 -10.987 48.281 15.348 1.00 0.00 ATOM 744 C ALA A 95 -11.721 48.396 14.354 1.00 0.00 ATOM 745 N ILE A 96 -11.290 48.207 13.107 1.00 0.00 ATOM 746 CA ILE A 96 -9.916 47.760 12.852 1.00 0.00 ATOM 747 CB ILE A 96 -9.691 47.383 11.387 1.00 0.00 ATOM 748 CG1 ILE A 96 -10.553 46.157 11.049 1.00 0.00 ATOM 749 CG2 ILE A 96 -8.202 47.058 11.136 1.00 0.00 ATOM 750 CD1 ILE A 96 -10.620 45.811 9.580 1.00 0.00 ATOM 751 O ILE A 96 -7.912 48.549 13.908 1.00 0.00 ATOM 752 C ILE A 96 -8.962 48.845 13.335 1.00 0.00 ATOM 753 N VAL A 97 -9.327 50.101 13.097 1.00 0.00 ATOM 754 CA VAL A 97 -8.493 51.212 13.538 1.00 0.00 ATOM 755 CB VAL A 97 -9.102 52.569 13.136 1.00 0.00 ATOM 756 CG1 VAL A 97 -8.326 53.710 13.772 1.00 0.00 ATOM 757 CG2 VAL A 97 -9.062 52.744 11.625 1.00 0.00 ATOM 758 O VAL A 97 -7.359 51.443 15.639 1.00 0.00 ATOM 759 C VAL A 97 -8.419 51.191 15.063 1.00 0.00 ATOM 760 N SER A 98 -9.540 50.857 15.698 1.00 0.00 ATOM 761 CA SER A 98 -9.554 50.795 17.156 1.00 0.00 ATOM 762 CB SER A 98 -10.964 50.428 17.626 1.00 0.00 ATOM 763 OG SER A 98 -11.884 51.465 17.336 1.00 0.00 ATOM 764 O SER A 98 -7.916 49.893 18.662 1.00 0.00 ATOM 765 C SER A 98 -8.584 49.723 17.642 1.00 0.00 ATOM 766 N SER A 99 -8.503 48.625 16.896 1.00 0.00 ATOM 767 CA SER A 99 -7.615 47.523 17.247 1.00 0.00 ATOM 768 CB SER A 99 -7.972 46.271 16.443 1.00 0.00 ATOM 769 OG SER A 99 -7.711 46.458 15.063 1.00 0.00 ATOM 770 O SER A 99 -5.314 47.034 17.051 1.00 0.00 ATOM 771 C SER A 99 -6.190 47.893 16.922 1.00 0.00 ATOM 772 N LYS A 100 -5.936 49.192 16.336 1.00 0.00 ATOM 773 CA LYS A 100 -4.615 49.706 16.005 1.00 0.00 ATOM 774 CB LYS A 100 -3.692 49.492 17.219 1.00 0.00 ATOM 775 CG LYS A 100 -4.131 50.232 18.484 1.00 0.00 ATOM 776 CD LYS A 100 -3.895 51.728 18.371 1.00 0.00 ATOM 777 CE LYS A 100 -4.462 52.463 19.579 1.00 0.00 ATOM 778 NZ LYS A 100 -3.997 51.859 20.858 1.00 0.00 ATOM 779 O LYS A 100 -2.925 49.282 14.371 1.00 0.00 ATOM 780 C LYS A 100 -4.130 49.315 14.623 1.00 0.00 ATOM 781 N TRP A 101 -5.060 49.014 13.721 1.00 0.00 ATOM 782 CA TRP A 101 -4.693 48.626 12.361 1.00 0.00 ATOM 783 CB TRP A 101 -5.021 47.175 12.087 1.00 0.00 ATOM 784 CG TRP A 101 -4.646 46.735 10.741 1.00 0.00 ATOM 785 CD1 TRP A 101 -3.427 46.395 10.323 1.00 0.00 ATOM 786 CD2 TRP A 101 -5.514 46.556 9.622 1.00 0.00 ATOM 787 CE2 TRP A 101 -4.722 46.108 8.547 1.00 0.00 ATOM 788 CE3 TRP A 101 -6.899 46.712 9.415 1.00 0.00 ATOM 789 NE1 TRP A 101 -3.439 46.042 8.997 1.00 0.00 ATOM 790 CZ2 TRP A 101 -5.252 45.798 7.299 1.00 0.00 ATOM 791 CZ3 TRP A 101 -7.416 46.421 8.190 1.00 0.00 ATOM 792 CH2 TRP A 101 -6.606 45.964 7.136 1.00 0.00 ATOM 793 O TRP A 101 -6.639 49.814 11.592 1.00 0.00 ATOM 794 C TRP A 101 -5.456 49.522 11.400 1.00 0.00 ATOM 795 N PHE A 102 -4.783 49.853 10.220 1.00 0.00 ATOM 796 CA PHE A 102 -5.424 50.641 9.176 1.00 0.00 ATOM 797 CB PHE A 102 -4.598 51.915 8.926 1.00 0.00 ATOM 798 CG PHE A 102 -4.277 52.692 10.171 1.00 0.00 ATOM 799 CD1 PHE A 102 -3.166 52.370 10.940 1.00 0.00 ATOM 800 CD2 PHE A 102 -5.105 53.728 10.591 1.00 0.00 ATOM 801 CE1 PHE A 102 -2.882 53.069 12.116 1.00 0.00 ATOM 802 CE2 PHE A 102 -4.828 54.432 11.768 1.00 0.00 ATOM 803 CZ PHE A 102 -3.715 54.099 12.530 1.00 0.00 ATOM 804 O PHE A 102 -4.876 49.407 7.187 1.00 0.00 ATOM 805 C PHE A 102 -5.766 49.837 7.922 1.00 0.00 ATOM 806 N PRO A 103 -7.029 49.681 7.655 1.00 0.00 ATOM 807 CA PRO A 103 -7.479 48.912 6.490 1.00 0.00 ATOM 808 CB PRO A 103 -8.992 48.838 6.690 1.00 0.00 ATOM 809 CG PRO A 103 -9.300 50.107 7.398 1.00 0.00 ATOM 810 CD PRO A 103 -8.183 50.187 8.420 1.00 0.00 ATOM 811 O PRO A 103 -6.994 48.548 4.184 1.00 0.00 ATOM 812 C PRO A 103 -7.089 49.375 5.119 1.00 0.00 ATOM 813 N GLN A 104 -6.905 50.674 4.868 1.00 0.00 ATOM 814 CA GLN A 104 -6.645 51.258 3.576 1.00 0.00 ATOM 815 CB GLN A 104 -7.622 52.401 3.303 1.00 0.00 ATOM 816 CG GLN A 104 -9.086 51.991 3.338 1.00 0.00 ATOM 817 CD GLN A 104 -9.439 51.004 2.243 1.00 0.00 ATOM 818 OE1 GLN A 104 -9.113 51.216 1.074 1.00 0.00 ATOM 819 NE2 GLN A 104 -10.108 49.921 2.619 1.00 0.00 ATOM 820 O GLN A 104 -4.743 52.337 4.501 1.00 0.00 ATOM 821 C GLN A 104 -5.245 51.779 3.509 1.00 0.00 ATOM 822 N ALA A 105 -4.701 51.748 2.300 1.00 0.00 ATOM 823 CA ALA A 105 -3.336 52.223 2.086 1.00 0.00 ATOM 824 CB ALA A 105 -2.927 52.031 0.634 1.00 0.00 ATOM 825 O ALA A 105 -2.249 54.142 3.029 1.00 0.00 ATOM 826 C ALA A 105 -3.226 53.712 2.419 1.00 0.00 ATOM 827 N GLY A 106 -4.336 54.501 2.115 1.00 0.00 ATOM 828 CA GLY A 106 -4.360 55.925 2.403 1.00 0.00 ATOM 829 O GLY A 106 -3.549 57.082 4.332 1.00 0.00 ATOM 830 C GLY A 106 -4.318 56.229 3.890 1.00 0.00 ATOM 831 N ASP A 107 -5.121 55.507 4.663 1.00 0.00 ATOM 832 CA ASP A 107 -5.065 55.572 6.119 1.00 0.00 ATOM 833 CB ASP A 107 -6.063 54.592 6.740 1.00 0.00 ATOM 834 CG ASP A 107 -7.501 55.043 6.576 1.00 0.00 ATOM 835 OD1 ASP A 107 -7.718 56.214 6.198 1.00 0.00 ATOM 836 OD2 ASP A 107 -8.411 54.224 6.824 1.00 0.00 ATOM 837 O ASP A 107 -3.160 55.955 7.523 1.00 0.00 ATOM 838 C ASP A 107 -3.693 55.233 6.679 1.00 0.00 ATOM 839 N ALA A 108 -3.116 54.156 6.208 1.00 0.00 ATOM 840 CA ALA A 108 -1.805 53.684 6.633 1.00 0.00 ATOM 841 CB ALA A 108 -1.490 52.340 5.990 1.00 0.00 ATOM 842 O ALA A 108 0.167 55.003 6.962 1.00 0.00 ATOM 843 C ALA A 108 -0.746 54.694 6.197 1.00 0.00 ATOM 844 N GLY A 109 -0.881 55.176 4.993 1.00 0.00 ATOM 845 CA GLY A 109 0.074 56.153 4.500 1.00 0.00 ATOM 846 O GLY A 109 0.950 57.983 5.769 1.00 0.00 ATOM 847 C GLY A 109 -0.031 57.405 5.361 1.00 0.00 ATOM 848 N MET A 110 -1.260 57.824 5.625 1.00 0.00 ATOM 849 CA MET A 110 -1.480 58.978 6.465 1.00 0.00 ATOM 850 CB MET A 110 -2.978 59.219 6.661 1.00 0.00 ATOM 851 CG MET A 110 -3.303 60.403 7.557 1.00 0.00 ATOM 852 SD MET A 110 -5.077 60.612 7.816 1.00 0.00 ATOM 853 CE MET A 110 -5.425 59.230 8.900 1.00 0.00 ATOM 854 O MET A 110 -0.186 59.721 8.346 1.00 0.00 ATOM 855 C MET A 110 -0.844 58.805 7.846 1.00 0.00 ATOM 856 N CYS A 111 -1.064 57.666 8.475 1.00 0.00 ATOM 857 CA CYS A 111 -0.517 57.426 9.837 1.00 0.00 ATOM 858 CB CYS A 111 -1.264 56.188 10.428 1.00 0.00 ATOM 859 SG CYS A 111 -3.021 56.455 10.786 1.00 0.00 ATOM 860 O CYS A 111 1.651 57.611 10.847 1.00 0.00 ATOM 861 C CYS A 111 1.008 57.264 9.863 1.00 0.00 ATOM 862 N LEU A 112 1.584 56.656 8.814 1.00 0.00 ATOM 863 CA LEU A 112 3.042 56.572 8.710 1.00 0.00 ATOM 864 CB LEU A 112 3.479 55.772 7.514 1.00 0.00 ATOM 865 CG LEU A 112 2.932 54.327 7.482 1.00 0.00 ATOM 866 CD1 LEU A 112 3.317 53.652 6.185 1.00 0.00 ATOM 867 CD2 LEU A 112 3.423 53.537 8.664 1.00 0.00 ATOM 868 O LEU A 112 4.601 58.283 9.351 1.00 0.00 ATOM 869 C LEU A 112 3.631 57.980 8.658 1.00 0.00 ATOM 870 N ASP A 113 3.026 58.824 7.850 1.00 0.00 ATOM 871 CA ASP A 113 3.494 60.200 7.725 1.00 0.00 ATOM 872 CB ASP A 113 2.706 60.968 6.662 1.00 0.00 ATOM 873 CG ASP A 113 3.221 62.379 6.459 1.00 0.00 ATOM 874 OD1 ASP A 113 4.392 62.529 6.055 1.00 0.00 ATOM 875 OD2 ASP A 113 2.453 63.334 6.705 1.00 0.00 ATOM 876 O ASP A 113 4.166 61.665 9.504 1.00 0.00 ATOM 877 C ASP A 113 3.304 60.906 9.070 1.00 0.00 ATOM 878 N LEU A 114 2.182 60.654 9.741 1.00 0.00 ATOM 879 CA LEU A 114 1.946 61.273 11.040 1.00 0.00 ATOM 880 CB LEU A 114 0.526 60.972 11.526 1.00 0.00 ATOM 881 CG LEU A 114 -0.611 61.636 10.746 1.00 0.00 ATOM 882 CD1 LEU A 114 -1.961 61.115 11.218 1.00 0.00 ATOM 883 CD2 LEU A 114 -0.589 63.144 10.943 1.00 0.00 ATOM 884 O LEU A 114 3.439 61.572 12.893 1.00 0.00 ATOM 885 C LEU A 114 2.941 60.779 12.094 1.00 0.00 ATOM 886 N LEU A 115 3.246 59.485 12.093 1.00 0.00 ATOM 887 CA LEU A 115 4.183 58.915 13.060 1.00 0.00 ATOM 888 CB LEU A 115 4.395 57.420 12.816 1.00 0.00 ATOM 889 CG LEU A 115 5.349 56.706 13.775 1.00 0.00 ATOM 890 CD1 LEU A 115 4.830 56.775 15.202 1.00 0.00 ATOM 891 CD2 LEU A 115 5.497 55.241 13.393 1.00 0.00 ATOM 892 O LEU A 115 6.079 60.081 13.995 1.00 0.00 ATOM 893 C LEU A 115 5.544 59.616 12.983 1.00 0.00 ATOM 894 N ASP A 116 6.070 59.715 11.766 1.00 0.00 ATOM 895 CA ASP A 116 7.365 60.349 11.548 1.00 0.00 ATOM 896 CB ASP A 116 7.808 60.179 10.094 1.00 0.00 ATOM 897 CG ASP A 116 8.249 58.762 9.779 1.00 0.00 ATOM 898 OD1 ASP A 116 8.444 57.978 10.731 1.00 0.00 ATOM 899 OD2 ASP A 116 8.395 58.439 8.581 1.00 0.00 ATOM 900 O ASP A 116 8.395 62.392 12.254 1.00 0.00 ATOM 901 C ASP A 116 7.362 61.838 11.873 1.00 0.00 ATOM 902 N ASP A 117 6.208 62.486 11.710 1.00 0.00 ATOM 903 CA ASP A 117 6.101 63.915 11.994 1.00 0.00 ATOM 904 CB ASP A 117 5.021 64.536 11.107 1.00 0.00 ATOM 905 CG ASP A 117 5.432 64.605 9.649 1.00 0.00 ATOM 906 OD1 ASP A 117 6.641 64.474 9.366 1.00 0.00 ATOM 907 OD2 ASP A 117 4.544 64.789 8.790 1.00 0.00 ATOM 908 O ASP A 117 5.673 65.283 13.914 1.00 0.00 ATOM 909 C ASP A 117 5.738 64.145 13.450 1.00 0.00 ATOM 910 N GLY A 118 5.495 63.057 14.173 1.00 0.00 ATOM 911 CA GLY A 118 5.123 63.183 15.570 1.00 0.00 ATOM 912 O GLY A 118 3.262 63.939 16.866 1.00 0.00 ATOM 913 C GLY A 118 3.654 63.555 15.774 1.00 0.00 ATOM 914 N THR A 119 2.837 63.439 14.742 1.00 0.00 ATOM 915 CA THR A 119 1.432 63.789 14.862 1.00 0.00 ATOM 916 CB THR A 119 1.201 64.870 13.783 1.00 0.00 ATOM 917 CG2 THR A 119 -0.194 65.518 13.903 1.00 0.00 ATOM 918 OG1 THR A 119 2.231 65.842 13.950 1.00 0.00 ATOM 919 O THR A 119 -0.613 62.619 15.443 1.00 0.00 ATOM 920 C THR A 119 0.606 62.553 15.250 1.00 0.00 ATOM 921 N PHE A 120 1.266 61.404 15.275 1.00 0.00 ATOM 922 CA PHE A 120 0.572 60.163 15.623 1.00 0.00 ATOM 923 CB PHE A 120 0.433 59.265 14.394 1.00 0.00 ATOM 924 CG PHE A 120 -0.330 57.997 14.652 1.00 0.00 ATOM 925 CD1 PHE A 120 -1.708 58.017 14.779 1.00 0.00 ATOM 926 CD2 PHE A 120 0.328 56.785 14.768 1.00 0.00 ATOM 927 CE1 PHE A 120 -2.412 56.850 15.017 1.00 0.00 ATOM 928 CE2 PHE A 120 -0.375 55.619 15.007 1.00 0.00 ATOM 929 CZ PHE A 120 -1.738 55.648 15.130 1.00 0.00 ATOM 930 O PHE A 120 2.553 59.146 16.488 1.00 0.00 ATOM 931 C PHE A 120 1.382 59.451 16.686 1.00 0.00 ATOM 932 N LYS A 121 0.657 59.200 17.848 1.00 0.00 ATOM 933 CA LYS A 121 1.467 58.532 18.873 1.00 0.00 ATOM 934 CB LYS A 121 0.674 58.419 20.175 1.00 0.00 ATOM 935 CG LYS A 121 0.579 59.733 20.887 1.00 0.00 ATOM 936 CD LYS A 121 -0.074 59.560 22.263 1.00 0.00 ATOM 937 CE LYS A 121 -0.063 60.898 23.014 1.00 0.00 ATOM 938 NZ LYS A 121 -1.388 61.142 23.679 1.00 0.00 ATOM 939 O LYS A 121 1.192 56.485 17.666 1.00 0.00 ATOM 940 C LYS A 121 1.920 57.160 18.391 1.00 0.00 ATOM 941 N PRO A 122 3.125 56.758 18.788 1.00 0.00 ATOM 942 CA PRO A 122 3.689 55.454 18.414 1.00 0.00 ATOM 943 CB PRO A 122 4.834 55.316 19.453 1.00 0.00 ATOM 944 CG PRO A 122 5.203 56.743 19.751 1.00 0.00 ATOM 945 CD PRO A 122 3.881 57.432 19.829 1.00 0.00 ATOM 946 O PRO A 122 2.828 53.362 17.679 1.00 0.00 ATOM 947 C PRO A 122 2.691 54.281 18.471 1.00 0.00 ATOM 948 N LYS A 123 1.698 54.279 19.334 1.00 0.00 ATOM 949 CA LYS A 123 0.624 53.288 19.245 1.00 0.00 ATOM 950 CB LYS A 123 -0.349 53.445 20.419 1.00 0.00 ATOM 951 CG LYS A 123 -1.155 52.189 20.736 1.00 0.00 ATOM 952 CD LYS A 123 -0.268 51.131 21.392 1.00 0.00 ATOM 953 CE LYS A 123 -1.081 49.951 21.924 1.00 0.00 ATOM 954 NZ LYS A 123 -0.234 48.960 22.660 1.00 0.00 ATOM 955 O LYS A 123 -0.285 52.454 17.188 1.00 0.00 ATOM 956 C LYS A 123 -0.153 53.418 17.942 1.00 0.00 ENDMDL EXPDTA 2i9cA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2i9cA ATOM 1 C LYS 3 -0.198 36.974 -5.861 1.00 0.00 ATOM 2 N LEU A 4 -1.370 37.446 -6.135 1.00 0.00 ATOM 3 CA LEU A 4 -2.210 36.620 -7.042 1.00 0.00 ATOM 4 CB LEU A 4 -3.546 36.281 -6.365 1.00 0.00 ATOM 5 CG LEU A 4 -3.633 35.418 -5.112 1.00 0.00 ATOM 6 CD1 LEU A 4 -4.942 35.723 -4.419 1.00 0.00 ATOM 7 CD2 LEU A 4 -3.509 33.921 -5.454 1.00 0.00 ATOM 8 O LEU A 4 -2.818 38.472 -8.443 1.00 0.00 ATOM 9 C LEU A 4 -2.565 37.265 -8.379 1.00 0.00 ATOM 10 N ASP A 5 -2.636 36.451 -9.428 1.00 0.00 ATOM 11 CA ASP A 5 -3.267 36.875 -10.687 1.00 0.00 ATOM 12 CB ASP A 5 -2.570 36.216 -11.897 1.00 0.00 ATOM 13 CG ASP A 5 -3.309 36.456 -13.227 1.00 0.00 ATOM 14 OD1 ASP A 5 -4.226 37.315 -13.274 1.00 0.00 ATOM 15 OD2 ASP A 5 -2.972 35.772 -14.232 1.00 0.00 ATOM 16 O ASP A 5 -5.244 35.435 -10.738 1.00 0.00 ATOM 17 C ASP A 5 -4.794 36.593 -10.674 1.00 0.00 ATOM 18 N LEU A 6 -5.580 37.669 -10.606 1.00 0.00 ATOM 19 CA LEU A 6 -7.046 37.592 -10.473 1.00 0.00 ATOM 20 CB LEU A 6 -7.483 38.394 -9.256 1.00 0.00 ATOM 21 CG LEU A 6 -6.928 37.813 -7.974 1.00 0.00 ATOM 22 CD1 LEU A 6 -7.091 38.792 -6.836 1.00 0.00 ATOM 23 CD2 LEU A 6 -7.592 36.478 -7.689 1.00 0.00 ATOM 24 O LEU A 6 -8.909 38.266 -11.820 1.00 0.00 ATOM 25 C LEU A 6 -7.689 38.169 -11.710 1.00 0.00 ATOM 26 N HIS A 7 -6.827 38.528 -12.653 1.00 0.00 ATOM 27 CA HIS A 7 -7.186 39.225 -13.869 1.00 0.00 ATOM 28 CB HIS A 7 -5.891 39.522 -14.659 1.00 0.00 ATOM 29 CG HIS A 7 -6.057 40.543 -15.733 1.00 0.00 ATOM 30 CD2 HIS A 7 -6.626 40.463 -16.961 1.00 0.00 ATOM 31 ND1 HIS A 7 -5.611 41.840 -15.596 1.00 0.00 ATOM 32 CE1 HIS A 7 -5.880 42.512 -16.702 1.00 0.00 ATOM 33 NE2 HIS A 7 -6.506 41.702 -17.543 1.00 0.00 ATOM 34 O HIS A 7 -8.874 38.988 -15.539 1.00 0.00 ATOM 35 C HIS A 7 -8.150 38.422 -14.723 1.00 0.00 ATOM 36 N GLN A 8 -8.151 37.102 -14.529 1.00 0.00 ATOM 37 CA GLN A 8 -8.969 36.190 -15.338 1.00 0.00 ATOM 38 CB GLN A 8 -8.203 34.884 -15.654 1.00 0.00 ATOM 39 CG GLN A 8 -6.985 35.098 -16.521 1.00 0.00 ATOM 40 CD GLN A 8 -7.286 36.055 -17.660 1.00 0.00 ATOM 41 OE1 GLN A 8 -8.252 35.866 -18.421 1.00 0.00 ATOM 42 NE2 GLN A 8 -6.469 37.102 -17.773 1.00 0.00 ATOM 43 O GLN A 8 -11.170 35.217 -15.318 1.00 0.00 ATOM 44 C GLN A 8 -10.335 35.884 -14.717 1.00 0.00 ATOM 45 N MET A 9 -10.543 36.376 -13.502 1.00 0.00 ATOM 46 CA MET A 9 -11.782 36.123 -12.786 1.00 0.00 ATOM 47 CB MET A 9 -11.530 36.174 -11.288 1.00 0.00 ATOM 48 CG MET A 9 -11.049 34.847 -10.741 1.00 0.00 ATOM 49 SD MET A 9 -10.876 34.896 -8.763 1.00 0.00 ATOM 50 CE MET A 9 -12.508 35.483 -8.301 1.00 0.00 ATOM 51 O MET A 9 -12.544 38.282 -13.410 1.00 0.00 ATOM 52 C MET A 9 -12.852 37.114 -13.166 1.00 0.00 ATOM 53 N THR A 10 -14.101 36.650 -13.236 1.00 0.00 ATOM 54 CA THR A 10 -15.220 37.547 -13.523 1.00 0.00 ATOM 55 CB THR A 10 -16.557 36.839 -13.881 1.00 0.00 ATOM 56 CG2 THR A 10 -16.427 35.892 -15.101 1.00 0.00 ATOM 57 OG1 THR A 10 -17.061 36.136 -12.754 1.00 0.00 ATOM 58 O THR A 10 -15.125 38.110 -11.213 1.00 0.00 ATOM 59 C THR A 10 -15.453 38.450 -12.321 1.00 0.00 ATOM 60 N THR A 11 -15.992 39.627 -12.569 1.00 0.00 ATOM 61 CA THR A 11 -16.354 40.564 -11.509 1.00 0.00 ATOM 62 CB THR A 11 -16.894 41.881 -12.150 1.00 0.00 ATOM 63 CG2 THR A 11 -17.536 42.781 -11.096 1.00 0.00 ATOM 64 OG1 THR A 11 -15.777 42.523 -12.808 1.00 0.00 ATOM 65 O THR A 11 -17.073 40.118 -9.263 1.00 0.00 ATOM 66 C THR A 11 -17.302 39.952 -10.465 1.00 0.00 ATOM 67 N GLN A 12 -18.305 39.180 -10.883 1.00 0.00 ATOM 68 CA GLN A 12 -19.158 38.499 -9.906 1.00 0.00 ATOM 69 CB GLN A 12 -20.346 37.763 -10.551 1.00 0.00 ATOM 70 CG GLN A 12 -21.492 38.629 -10.916 1.00 0.00 ATOM 71 CD GLN A 12 -22.098 39.409 -9.734 1.00 0.00 ATOM 72 OE1 GLN A 12 -22.179 38.932 -8.598 1.00 0.00 ATOM 73 NE2 GLN A 12 -22.526 40.633 -10.021 1.00 0.00 ATOM 74 O GLN A 12 -18.757 37.380 -7.820 1.00 0.00 ATOM 75 C GLN A 12 -18.439 37.508 -9.027 1.00 0.00 ATOM 76 N ASP A 13 -17.524 36.755 -9.639 1.00 0.00 ATOM 77 CA ASP A 13 -16.706 35.784 -8.887 1.00 0.00 ATOM 78 CB ASP A 13 -15.830 34.915 -9.820 1.00 0.00 ATOM 79 CG ASP A 13 -16.609 33.758 -10.477 1.00 0.00 ATOM 80 OD1 ASP A 13 -17.752 33.458 -10.041 1.00 0.00 ATOM 81 OD2 ASP A 13 -16.069 33.139 -11.450 1.00 0.00 ATOM 82 O ASP A 13 -15.608 35.970 -6.772 1.00 0.00 ATOM 83 C ASP A 13 -15.801 36.482 -7.874 1.00 0.00 ATOM 84 N LEU A 14 -15.234 37.623 -8.265 1.00 0.00 ATOM 85 CA LEU A 14 -14.459 38.487 -7.336 1.00 0.00 ATOM 86 CB LEU A 14 -13.854 39.684 -8.098 1.00 0.00 ATOM 87 CG LEU A 14 -12.698 39.306 -9.063 1.00 0.00 ATOM 88 CD1 LEU A 14 -12.440 40.411 -10.011 1.00 0.00 ATOM 89 CD2 LEU A 14 -11.399 38.954 -8.287 1.00 0.00 ATOM 90 O LEU A 14 -14.796 38.930 -4.956 1.00 0.00 ATOM 91 C LEU A 14 -15.287 38.955 -6.114 1.00 0.00 ATOM 92 N VAL A 15 -16.510 39.412 -6.358 1.00 0.00 ATOM 93 CA VAL A 15 -17.399 39.792 -5.239 1.00 0.00 ATOM 94 CB VAL A 15 -18.725 40.457 -5.718 1.00 0.00 ATOM 95 CG1 VAL A 15 -19.623 40.802 -4.525 1.00 0.00 ATOM 96 CG2 VAL A 15 -18.411 41.764 -6.431 1.00 0.00 ATOM 97 O VAL A 15 -17.608 38.760 -3.065 1.00 0.00 ATOM 98 C VAL A 15 -17.669 38.613 -4.293 1.00 0.00 ATOM 99 N ALA A 16 -17.973 37.444 -4.874 1.00 0.00 ATOM 100 CA ALA A 16 -18.281 36.264 -4.075 1.00 0.00 ATOM 101 CB ALA A 16 -18.761 35.062 -4.964 1.00 0.00 ATOM 102 O ALA A 16 -17.086 35.537 -2.143 1.00 0.00 ATOM 103 C ALA A 16 -17.011 35.904 -3.301 1.00 0.00 ATOM 104 N LEU A 17 -15.838 35.960 -3.954 1.00 0.00 ATOM 105 CA LEU A 17 -14.609 35.568 -3.235 1.00 0.00 ATOM 106 CB LEU A 17 -13.435 35.377 -4.207 1.00 0.00 ATOM 107 CG LEU A 17 -12.128 34.886 -3.578 1.00 0.00 ATOM 108 CD1 LEU A 17 -12.299 33.400 -3.029 1.00 0.00 ATOM 109 CD2 LEU A 17 -10.985 34.974 -4.657 1.00 0.00 ATOM 110 O LEU A 17 -13.810 36.251 -1.066 1.00 0.00 ATOM 111 C LEU A 17 -14.257 36.606 -2.147 1.00 0.00 ATOM 112 N PHE A 18 -14.464 37.883 -2.444 1.00 0.00 ATOM 113 CA PHE A 18 -14.286 38.930 -1.437 1.00 0.00 ATOM 114 CB PHE A 18 -14.738 40.289 -2.005 1.00 0.00 ATOM 115 CG PHE A 18 -14.528 41.472 -1.051 1.00 0.00 ATOM 116 CD1 PHE A 18 -13.439 42.337 -1.206 1.00 0.00 ATOM 117 CD2 PHE A 18 -15.426 41.708 -0.016 1.00 0.00 ATOM 118 CE1 PHE A 18 -13.267 43.434 -0.349 1.00 0.00 ATOM 119 CE2 PHE A 18 -15.272 42.778 0.855 1.00 0.00 ATOM 120 CZ PHE A 18 -14.193 43.647 0.684 1.00 0.00 ATOM 121 O PHE A 18 -14.605 38.652 0.953 1.00 0.00 ATOM 122 C PHE A 18 -15.109 38.566 -0.170 1.00 0.00 ATOM 123 N ALA A 19 -16.384 38.213 -0.333 1.00 0.00 ATOM 124 CA ALA A 19 -17.190 37.896 0.845 1.00 0.00 ATOM 125 CB ALA A 19 -18.703 37.725 0.465 1.00 0.00 ATOM 126 O ALA A 19 -16.651 36.607 2.827 1.00 0.00 ATOM 127 C ALA A 19 -16.679 36.637 1.591 1.00 0.00 ATOM 128 N LYS A 20 -16.295 35.605 0.832 1.00 0.00 ATOM 129 CA LYS A 20 -15.791 34.358 1.438 1.00 0.00 ATOM 130 CB LYS A 20 -15.551 33.251 0.383 1.00 0.00 ATOM 131 CG LYS A 20 -15.185 31.860 0.966 1.00 0.00 ATOM 132 CD LYS A 20 -14.756 30.857 -0.104 1.00 0.00 ATOM 133 CE LYS A 20 -15.156 29.435 0.308 1.00 0.00 ATOM 134 NZ LYS A 20 -13.987 28.513 0.330 1.00 0.00 ATOM 135 O LYS A 20 -14.413 34.145 3.366 1.00 0.00 ATOM 136 C LYS A 20 -14.528 34.625 2.250 1.00 0.00 ATOM 137 N VAL A 21 -13.580 35.382 1.695 1.00 0.00 ATOM 138 CA VAL A 21 -12.323 35.614 2.434 1.00 0.00 ATOM 139 CB VAL A 21 -11.093 36.058 1.513 1.00 0.00 ATOM 140 CG1 VAL A 21 -10.983 35.201 0.328 1.00 0.00 ATOM 141 CG2 VAL A 21 -11.226 37.478 1.086 1.00 0.00 ATOM 142 O VAL A 21 -11.774 36.421 4.636 1.00 0.00 ATOM 143 C VAL A 21 -12.489 36.540 3.654 1.00 0.00 ATOM 144 N THR A 22 -13.429 37.462 3.591 1.00 0.00 ATOM 145 CA THR A 22 -13.686 38.358 4.690 1.00 0.00 ATOM 146 CB THR A 22 -14.263 39.624 4.088 1.00 0.00 ATOM 147 CG2 THR A 22 -14.336 40.739 5.093 1.00 0.00 ATOM 148 OG1 THR A 22 -13.388 40.006 3.007 1.00 0.00 ATOM 149 O THR A 22 -14.329 37.996 7.016 1.00 0.00 ATOM 150 C THR A 22 -14.524 37.702 5.820 1.00 0.00 ATOM 151 N VAL A 23 -15.427 36.787 5.454 1.00 0.00 ATOM 152 CA VAL A 23 -16.039 35.885 6.476 1.00 0.00 ATOM 153 CB VAL A 23 -17.030 34.903 5.801 1.00 0.00 ATOM 154 CG1 VAL A 23 -17.322 33.682 6.684 1.00 0.00 ATOM 155 CG2 VAL A 23 -18.349 35.648 5.469 1.00 0.00 ATOM 156 O VAL A 23 -14.883 35.013 8.419 1.00 0.00 ATOM 157 C VAL A 23 -14.923 35.108 7.196 1.00 0.00 ATOM 158 N GLU A 24 -14.008 34.527 6.425 1.00 0.00 ATOM 159 CA GLU A 24 -12.904 33.814 7.023 1.00 0.00 ATOM 160 CB GLU A 24 -12.149 33.012 5.977 1.00 0.00 ATOM 161 CG GLU A 24 -13.005 31.844 5.427 1.00 0.00 ATOM 162 CD GLU A 24 -12.278 31.031 4.345 1.00 0.00 ATOM 163 OE1 GLU A 24 -11.021 30.948 4.392 1.00 0.00 ATOM 164 OE2 GLU A 24 -12.977 30.482 3.444 1.00 0.00 ATOM 165 O GLU A 24 -11.426 34.255 8.829 1.00 0.00 ATOM 166 C GLU A 24 -11.972 34.716 7.837 1.00 0.00 ATOM 167 N GLN A 25 -11.808 35.985 7.452 1.00 0.00 ATOM 168 CA GLN A 25 -11.149 36.988 8.340 1.00 0.00 ATOM 169 CB GLN A 25 -11.112 38.393 7.725 1.00 0.00 ATOM 170 CG GLN A 25 -10.086 38.573 6.567 1.00 0.00 ATOM 171 CD GLN A 25 -10.298 39.902 5.887 1.00 0.00 ATOM 172 OE1 GLN A 25 -10.807 40.820 6.499 1.00 0.00 ATOM 173 NE2 GLN A 25 -9.973 40.000 4.613 1.00 0.00 ATOM 174 O GLN A 25 -11.145 36.948 10.746 1.00 0.00 ATOM 175 C GLN A 25 -11.808 37.067 9.706 1.00 0.00 ATOM 176 N ASP A 26 -13.119 37.218 9.703 1.00 0.00 ATOM 177 CA ASP A 26 -13.894 37.264 10.920 1.00 0.00 ATOM 178 CB ASP A 26 -15.393 37.377 10.589 1.00 0.00 ATOM 179 CG ASP A 26 -16.213 37.795 11.779 1.00 0.00 ATOM 180 OD1 ASP A 26 -15.737 38.688 12.525 1.00 0.00 ATOM 181 OD2 ASP A 26 -17.341 37.252 11.965 1.00 0.00 ATOM 182 O ASP A 26 -13.318 36.087 12.907 1.00 0.00 ATOM 183 C ASP A 26 -13.637 35.997 11.733 1.00 0.00 ATOM 184 N ASP A 27 -13.752 34.832 11.105 1.00 0.00 ATOM 185 CA ASP A 27 -13.502 33.538 11.769 1.00 0.00 ATOM 186 CB ASP A 27 -13.566 32.379 10.757 1.00 0.00 ATOM 187 CG ASP A 27 -14.994 32.060 10.243 1.00 0.00 ATOM 188 OD1 ASP A 27 -15.960 32.572 10.850 1.00 0.00 ATOM 189 OD2 ASP A 27 -15.107 31.254 9.250 1.00 0.00 ATOM 190 O ASP A 27 -11.919 33.080 13.545 1.00 0.00 ATOM 191 C ASP A 27 -12.107 33.523 12.395 1.00 0.00 ATOM 192 N ALA A 28 -11.119 33.968 11.615 1.00 0.00 ATOM 193 CA ALA A 28 -9.707 33.962 12.044 1.00 0.00 ATOM 194 CB ALA A 28 -8.795 34.444 10.884 1.00 0.00 ATOM 195 O ALA A 28 -8.851 34.319 14.299 1.00 0.00 ATOM 196 C ALA A 28 -9.462 34.799 13.313 1.00 0.00 ATOM 197 N LEU A 29 -9.916 36.042 13.281 1.00 0.00 ATOM 198 CA LEU A 29 -9.882 36.938 14.436 1.00 0.00 ATOM 199 CB LEU A 29 -10.653 38.221 14.123 1.00 0.00 ATOM 200 CG LEU A 29 -10.046 39.258 13.161 1.00 0.00 ATOM 201 CD1 LEU A 29 -11.049 40.359 12.788 1.00 0.00 ATOM 202 CD2 LEU A 29 -8.725 39.897 13.724 1.00 0.00 ATOM 203 O LEU A 29 -9.849 36.375 16.780 1.00 0.00 ATOM 204 C LEU A 29 -10.468 36.308 15.709 1.00 0.00 ATOM 205 N LEU A 30 -11.659 35.713 15.587 1.00 0.00 ATOM 206 CA LEU A 30 -12.331 35.060 16.726 1.00 0.00 ATOM 207 CB LEU A 30 -13.747 34.609 16.346 1.00 0.00 ATOM 208 CG LEU A 30 -14.755 35.754 16.130 1.00 0.00 ATOM 209 CD1 LEU A 30 -16.020 35.246 15.479 1.00 0.00 ATOM 210 CD2 LEU A 30 -15.069 36.481 17.441 1.00 0.00 ATOM 211 O LEU A 30 -11.557 33.648 18.511 1.00 0.00 ATOM 212 C LEU A 30 -11.539 33.877 17.288 1.00 0.00 ATOM 213 N GLY A 31 -10.845 33.148 16.403 1.00 0.00 ATOM 214 CA GLY A 31 -10.053 31.956 16.766 1.00 0.00 ATOM 215 O GLY A 31 -7.827 31.279 17.341 1.00 0.00 ATOM 216 C GLY A 31 -8.600 32.227 17.096 1.00 0.00 ATOM 217 N ASN A 32 -8.238 33.514 17.136 1.00 0.00 ATOM 218 CA ASN A 32 -6.848 34.004 17.314 1.00 0.00 ATOM 219 CB ASN A 32 -6.291 33.713 18.758 1.00 0.00 ATOM 220 CG ASN A 32 -5.161 34.707 19.210 1.00 0.00 ATOM 221 ND2 ASN A 32 -4.310 34.248 20.153 1.00 0.00 ATOM 222 OD1 ASN A 32 -5.069 35.867 18.730 1.00 0.00 ATOM 223 O ASN A 32 -4.709 33.209 16.587 1.00 0.00 ATOM 224 C ASN A 32 -5.877 33.454 16.263 1.00 0.00 ATOM 225 N GLN A 33 -6.355 33.212 15.034 1.00 0.00 ATOM 226 CA GLN A 33 -5.503 32.632 13.967 1.00 0.00 ATOM 227 CB GLN A 33 -6.288 31.668 13.055 1.00 0.00 ATOM 228 CG GLN A 33 -6.874 30.394 13.724 1.00 0.00 ATOM 229 CD GLN A 33 -5.864 29.571 14.564 1.00 0.00 ATOM 230 OE1 GLN A 33 -5.225 28.630 14.059 1.00 0.00 ATOM 231 NE2 GLN A 33 -5.759 29.902 15.875 1.00 0.00 ATOM 232 O GLN A 33 -5.473 34.140 12.084 1.00 0.00 ATOM 233 C GLN A 33 -4.986 33.822 13.183 1.00 0.00 ATOM 234 N ILE A 34 -4.022 34.521 13.774 1.00 0.00 ATOM 235 CA ILE A 34 -3.577 35.822 13.251 1.00 0.00 ATOM 236 CB ILE A 34 -2.790 36.646 14.324 1.00 0.00 ATOM 237 CG1 ILE A 34 -3.681 36.970 15.571 1.00 0.00 ATOM 238 CG2 ILE A 34 -2.108 37.903 13.728 1.00 0.00 ATOM 239 CD1 ILE A 34 -5.177 37.083 15.362 1.00 0.00 ATOM 240 O ILE A 34 -3.034 36.519 11.043 1.00 0.00 ATOM 241 C ILE A 34 -2.816 35.698 11.914 1.00 0.00 ATOM 242 N SER A 35 -1.963 34.679 11.743 1.00 0.00 ATOM 243 CA SER A 35 -1.283 34.493 10.441 1.00 0.00 ATOM 244 CB SER A 35 -0.203 33.400 10.447 1.00 0.00 ATOM 245 OG SER A 35 -0.743 32.090 10.480 1.00 0.00 ATOM 246 O SER A 35 -2.140 34.906 8.246 1.00 0.00 ATOM 247 C SER A 35 -2.298 34.308 9.297 1.00 0.00 ATOM 248 N ARG A 36 -3.351 33.527 9.547 1.00 0.00 ATOM 249 CA ARG A 36 -4.426 33.293 8.588 1.00 0.00 ATOM 250 CB ARG A 36 -5.360 32.165 9.088 1.00 0.00 ATOM 251 CG ARG A 36 -6.557 31.818 8.193 1.00 0.00 ATOM 252 CD ARG A 36 -6.043 31.041 7.002 1.00 0.00 ATOM 253 NE ARG A 36 -7.078 30.584 6.066 1.00 0.00 ATOM 254 CZ ARG A 36 -6.831 29.753 5.049 1.00 0.00 ATOM 255 NH1 ARG A 36 -5.589 29.315 4.835 1.00 0.00 ATOM 256 NH2 ARG A 36 -7.818 29.375 4.233 1.00 0.00 ATOM 257 O ARG A 36 -5.523 34.883 7.138 1.00 0.00 ATOM 258 C ARG A 36 -5.206 34.591 8.298 1.00 0.00 ATOM 259 N PHE A 37 -5.522 35.360 9.346 1.00 0.00 ATOM 260 CA PHE A 37 -6.162 36.665 9.169 1.00 0.00 ATOM 261 CB PHE A 37 -6.343 37.416 10.510 1.00 0.00 ATOM 262 CG PHE A 37 -6.878 38.805 10.312 1.00 0.00 ATOM 263 CD1 PHE A 37 -8.237 39.005 10.067 1.00 0.00 ATOM 264 CD2 PHE A 37 -6.010 39.889 10.238 1.00 0.00 ATOM 265 CE1 PHE A 37 -8.752 40.290 9.823 1.00 0.00 ATOM 266 CE2 PHE A 37 -6.510 41.178 9.988 1.00 0.00 ATOM 267 CZ PHE A 37 -7.874 41.378 9.782 1.00 0.00 ATOM 268 O PHE A 37 -5.954 38.170 7.323 1.00 0.00 ATOM 269 C PHE A 37 -5.379 37.578 8.222 1.00 0.00 ATOM 270 N ASN A 38 -4.060 37.675 8.447 1.00 0.00 ATOM 271 CA ASN A 38 -3.179 38.524 7.651 1.00 0.00 ATOM 272 CB ASN A 38 -1.742 38.518 8.260 1.00 0.00 ATOM 273 CG ASN A 38 -1.684 39.221 9.595 1.00 0.00 ATOM 274 ND2 ASN A 38 -0.723 38.817 10.426 1.00 0.00 ATOM 275 OD1 ASN A 38 -2.497 40.132 9.881 1.00 0.00 ATOM 276 O ASN A 38 -3.193 38.926 5.275 1.00 0.00 ATOM 277 C ASN A 38 -3.142 38.091 6.179 1.00 0.00 ATOM 278 N ARG A 39 -3.078 36.786 5.932 1.00 0.00 ATOM 279 CA ARG A 39 -3.072 36.312 4.546 1.00 0.00 ATOM 280 CB ARG A 39 -2.626 34.864 4.431 1.00 0.00 ATOM 281 CG ARG A 39 -1.204 34.631 4.923 1.00 0.00 ATOM 282 CD ARG A 39 -0.640 33.310 4.408 1.00 0.00 ATOM 283 NE ARG A 39 0.778 33.251 4.641 1.00 0.00 ATOM 284 CZ ARG A 39 1.690 33.741 3.805 1.00 0.00 ATOM 285 NH1 ARG A 39 1.315 34.342 2.682 1.00 0.00 ATOM 286 NH2 ARG A 39 2.954 33.678 4.111 1.00 0.00 ATOM 287 O ARG A 39 -4.451 36.986 2.727 1.00 0.00 ATOM 288 C ARG A 39 -4.415 36.552 3.862 1.00 0.00 ATOM 289 N LEU A 40 -5.514 36.269 4.553 1.00 0.00 ATOM 290 CA LEU A 40 -6.856 36.607 4.061 1.00 0.00 ATOM 291 CB LEU A 40 -7.904 36.099 5.049 1.00 0.00 ATOM 292 CG LEU A 40 -7.995 34.576 5.142 1.00 0.00 ATOM 293 CD1 LEU A 40 -8.796 34.275 6.377 1.00 0.00 ATOM 294 CD2 LEU A 40 -8.628 33.949 3.913 1.00 0.00 ATOM 295 O LEU A 40 -7.698 38.476 2.804 1.00 0.00 ATOM 296 C LEU A 40 -7.043 38.095 3.788 1.00 0.00 ATOM 297 N PHE A 41 -6.461 38.943 4.633 1.00 0.00 ATOM 298 CA PHE A 41 -6.479 40.383 4.366 1.00 0.00 ATOM 299 CB PHE A 41 -5.878 41.204 5.532 1.00 0.00 ATOM 300 CG PHE A 41 -6.071 42.698 5.382 1.00 0.00 ATOM 301 CD1 PHE A 41 -7.250 43.300 5.839 1.00 0.00 ATOM 302 CD2 PHE A 41 -5.113 43.489 4.751 1.00 0.00 ATOM 303 CE1 PHE A 41 -7.448 44.679 5.696 1.00 0.00 ATOM 304 CE2 PHE A 41 -5.295 44.873 4.600 1.00 0.00 ATOM 305 CZ PHE A 41 -6.478 45.469 5.084 1.00 0.00 ATOM 306 O PHE A 41 -6.326 41.508 2.272 1.00 0.00 ATOM 307 C PHE A 41 -5.777 40.738 3.060 1.00 0.00 ATOM 308 N GLY A 42 -4.560 40.202 2.847 1.00 0.00 ATOM 309 CA GLY A 42 -3.829 40.395 1.578 1.00 0.00 ATOM 310 O GLY A 42 -4.689 40.652 -0.663 1.00 0.00 ATOM 311 C GLY A 42 -4.639 39.951 0.358 1.00 0.00 ATOM 312 N VAL A 43 -5.257 38.782 0.446 1.00 0.00 ATOM 313 CA VAL A 43 -6.113 38.304 -0.652 1.00 0.00 ATOM 314 CB VAL A 43 -6.690 36.887 -0.371 1.00 0.00 ATOM 315 CG1 VAL A 43 -7.626 36.488 -1.481 1.00 0.00 ATOM 316 CG2 VAL A 43 -5.561 35.880 -0.313 1.00 0.00 ATOM 317 O VAL A 43 -7.519 39.627 -2.119 1.00 0.00 ATOM 318 C VAL A 43 -7.243 39.290 -0.943 1.00 0.00 ATOM 319 N MET A 44 -7.912 39.740 0.130 1.00 0.00 ATOM 320 CA MET A 44 -9.000 40.682 0.008 1.00 0.00 ATOM 321 CB MET A 44 -9.517 41.055 1.415 1.00 0.00 ATOM 322 CG MET A 44 -10.786 41.942 1.391 1.00 0.00 ATOM 323 SD MET A 44 -10.758 43.132 2.983 1.00 0.00 ATOM 324 CE MET A 44 -9.206 44.114 2.640 1.00 0.00 ATOM 325 O MET A 44 -9.283 42.440 -1.599 1.00 0.00 ATOM 326 C MET A 44 -8.563 41.947 -0.726 1.00 0.00 ATOM 327 N ALA A 45 -7.413 42.492 -0.316 1.00 0.00 ATOM 328 CA ALA A 45 -6.823 43.688 -0.928 1.00 0.00 ATOM 329 CB ALA A 45 -5.506 44.128 -0.158 1.00 0.00 ATOM 330 O ALA A 45 -6.756 44.422 -3.201 1.00 0.00 ATOM 331 C ALA A 45 -6.514 43.508 -2.395 1.00 0.00 ATOM 332 N GLU A 46 -5.957 42.343 -2.754 1.00 0.00 ATOM 333 CA GLU A 46 -5.767 42.005 -4.160 1.00 0.00 ATOM 334 CB GLU A 46 -5.086 40.661 -4.311 1.00 0.00 ATOM 335 CG GLU A 46 -3.715 40.710 -3.719 1.00 0.00 ATOM 336 CD GLU A 46 -2.949 39.472 -3.998 1.00 0.00 ATOM 337 OE1 GLU A 46 -2.815 39.164 -5.201 1.00 0.00 ATOM 338 OE2 GLU A 46 -2.492 38.818 -3.027 1.00 0.00 ATOM 339 O GLU A 46 -7.115 42.480 -6.081 1.00 0.00 ATOM 340 C GLU A 46 -7.061 41.989 -4.948 1.00 0.00 ATOM 341 N ILE A 47 -8.117 41.455 -4.340 1.00 0.00 ATOM 342 CA ILE A 47 -9.439 41.471 -4.990 1.00 0.00 ATOM 343 CB ILE A 47 -10.504 40.657 -4.197 1.00 0.00 ATOM 344 CG1 ILE A 47 -10.134 39.155 -4.174 1.00 0.00 ATOM 345 CG2 ILE A 47 -11.892 40.812 -4.831 1.00 0.00 ATOM 346 CD1 ILE A 47 -10.800 38.376 -3.007 1.00 0.00 ATOM 347 O ILE A 47 -10.378 43.199 -6.354 1.00 0.00 ATOM 348 C ILE A 47 -9.927 42.900 -5.248 1.00 0.00 ATOM 349 N ALA A 48 -9.822 43.769 -4.244 1.00 0.00 ATOM 350 CA ALA A 48 -10.273 45.152 -4.365 1.00 0.00 ATOM 351 CB ALA A 48 -10.201 45.865 -3.042 1.00 0.00 ATOM 352 O ALA A 48 -10.048 46.664 -6.172 1.00 0.00 ATOM 353 C ALA A 48 -9.466 45.901 -5.401 1.00 0.00 ATOM 354 N ASP A 49 -8.143 45.670 -5.445 1.00 0.00 ATOM 355 CA ASP A 49 -7.266 46.286 -6.479 1.00 0.00 ATOM 356 CB ASP A 49 -5.782 46.007 -6.213 1.00 0.00 ATOM 357 CG ASP A 49 -5.214 46.907 -5.117 1.00 0.00 ATOM 358 OD1 ASP A 49 -5.969 47.763 -4.573 1.00 0.00 ATOM 359 OD2 ASP A 49 -4.038 46.723 -4.777 1.00 0.00 ATOM 360 O ASP A 49 -7.584 46.645 -8.816 1.00 0.00 ATOM 361 C ASP A 49 -7.603 45.844 -7.880 1.00 0.00 ATOM 362 N GLU A 50 -7.920 44.560 -8.033 1.00 0.00 ATOM 363 CA GLU A 50 -8.344 44.059 -9.338 1.00 0.00 ATOM 364 CB GLU A 50 -8.453 42.518 -9.332 1.00 0.00 ATOM 365 CG GLU A 50 -9.010 41.922 -10.641 1.00 0.00 ATOM 366 CD GLU A 50 -8.114 42.150 -11.861 1.00 0.00 ATOM 367 OE1 GLU A 50 -6.875 42.395 -11.740 1.00 0.00 ATOM 368 OE2 GLU A 50 -8.651 42.098 -12.971 1.00 0.00 ATOM 369 O GLU A 50 -9.850 45.117 -10.913 1.00 0.00 ATOM 370 C GLU A 50 -9.687 44.717 -9.770 1.00 0.00 ATOM 371 N LEU A 51 -10.641 44.803 -8.850 1.00 0.00 ATOM 372 CA LEU A 51 -11.944 45.374 -9.177 1.00 0.00 ATOM 373 CB LEU A 51 -12.898 45.249 -7.982 1.00 0.00 ATOM 374 CG LEU A 51 -13.499 43.873 -7.735 1.00 0.00 ATOM 375 CD1 LEU A 51 -14.090 43.812 -6.331 1.00 0.00 ATOM 376 CD2 LEU A 51 -14.588 43.614 -8.767 1.00 0.00 ATOM 377 O LEU A 51 -12.312 47.347 -10.497 1.00 0.00 ATOM 378 C LEU A 51 -11.744 46.857 -9.534 1.00 0.00 ATOM 379 N LYS A 52 -10.952 47.563 -8.735 1.00 0.00 ATOM 380 CA LYS A 52 -10.612 48.963 -9.034 1.00 0.00 ATOM 381 CB LYS A 52 -9.683 49.559 -7.953 1.00 0.00 ATOM 382 CG LYS A 52 -9.181 50.983 -8.305 1.00 0.00 ATOM 383 CD LYS A 52 -8.162 51.542 -7.308 1.00 0.00 ATOM 384 CE LYS A 52 -6.907 50.696 -7.259 1.00 0.00 ATOM 385 NZ LYS A 52 -5.688 51.477 -6.874 1.00 0.00 ATOM 386 O LYS A 52 -10.409 50.001 -11.172 1.00 0.00 ATOM 387 C LYS A 52 -10.002 49.113 -10.448 1.00 0.00 ATOM 388 N ALA A 53 -9.094 48.217 -10.857 1.00 0.00 ATOM 389 CA ALA A 53 -8.448 48.290 -12.190 1.00 0.00 ATOM 390 CB ALA A 53 -7.227 47.355 -12.277 1.00 0.00 ATOM 391 O ALA A 53 -8.926 48.308 -14.536 1.00 0.00 ATOM 392 C ALA A 53 -9.346 48.071 -13.395 1.00 0.00 ATOM 393 N ARG A 54 -10.574 47.619 -13.160 1.00 0.00 ATOM 394 CA ARG A 54 -11.485 47.326 -14.235 1.00 0.00 ATOM 395 CB ARG A 54 -12.439 46.212 -13.791 1.00 0.00 ATOM 396 CG ARG A 54 -11.694 44.923 -13.791 1.00 0.00 ATOM 397 CD ARG A 54 -12.493 43.737 -13.358 1.00 0.00 ATOM 398 NE ARG A 54 -11.560 42.619 -13.325 1.00 0.00 ATOM 399 CZ ARG A 54 -11.911 41.346 -13.420 1.00 0.00 ATOM 400 NH1 ARG A 54 -13.199 41.011 -13.541 1.00 0.00 ATOM 401 NH2 ARG A 54 -10.973 40.415 -13.404 1.00 0.00 ATOM 402 O ARG A 54 -12.453 49.457 -13.785 1.00 0.00 ATOM 403 C ARG A 54 -12.240 48.569 -14.627 1.00 0.00 ATOM 404 N ASP A 55 -12.651 48.630 -15.899 1.00 0.00 ATOM 405 CA ASP A 55 -13.431 49.754 -16.419 1.00 0.00 ATOM 406 CB ASP A 55 -14.023 49.416 -17.790 1.00 0.00 ATOM 407 CG ASP A 55 -12.980 49.251 -18.845 1.00 0.00 ATOM 408 OD1 ASP A 55 -12.098 50.145 -18.993 1.00 0.00 ATOM 409 OD2 ASP A 55 -13.046 48.219 -19.541 1.00 0.00 ATOM 410 O ASP A 55 -15.344 49.302 -15.048 1.00 0.00 ATOM 411 C ASP A 55 -14.558 50.150 -15.482 1.00 0.00 ATOM 412 N GLY A 56 -14.611 51.447 -15.171 1.00 0.00 ATOM 413 CA GLY A 56 -15.681 52.036 -14.368 1.00 0.00 ATOM 414 O GLY A 56 -16.106 52.724 -12.113 1.00 0.00 ATOM 415 C GLY A 56 -15.373 52.075 -12.871 1.00 0.00 ATOM 416 N ASP A 57 -14.261 51.435 -12.465 1.00 0.00 ATOM 417 CA ASP A 57 -13.951 51.135 -11.072 1.00 0.00 ATOM 418 CB ASP A 57 -13.825 52.428 -10.249 1.00 0.00 ATOM 419 CG ASP A 57 -13.163 52.208 -8.922 1.00 0.00 ATOM 420 OD1 ASP A 57 -13.236 51.093 -8.391 1.00 0.00 ATOM 421 OD2 ASP A 57 -12.590 53.182 -8.393 1.00 0.00 ATOM 422 O ASP A 57 -16.055 50.602 -9.963 1.00 0.00 ATOM 423 C ASP A 57 -15.002 50.170 -10.481 1.00 0.00 ATOM 424 N GLN A 58 -14.720 48.866 -10.581 1.00 0.00 ATOM 425 CA GLN A 58 -15.734 47.857 -10.239 1.00 0.00 ATOM 426 CB GLN A 58 -15.526 46.539 -11.008 1.00 0.00 ATOM 427 CG GLN A 58 -15.901 46.603 -12.485 1.00 0.00 ATOM 428 CD GLN A 58 -17.323 47.063 -12.687 1.00 0.00 ATOM 429 OE1 GLN A 58 -18.284 46.510 -12.089 1.00 0.00 ATOM 430 NE2 GLN A 58 -17.484 48.097 -13.522 1.00 0.00 ATOM 431 O GLN A 58 -16.486 46.745 -8.283 1.00 0.00 ATOM 432 C GLN A 58 -15.762 47.593 -8.730 1.00 0.00 ATOM 433 N ARG A 59 -15.022 48.373 -7.935 1.00 0.00 ATOM 434 CA ARG A 59 -15.280 48.350 -6.478 1.00 0.00 ATOM 435 CB ARG A 59 -14.357 49.333 -5.733 1.00 0.00 ATOM 436 CG ARG A 59 -12.908 48.884 -5.662 1.00 0.00 ATOM 437 CD ARG A 59 -12.001 49.939 -4.982 1.00 0.00 ATOM 438 NE ARG A 59 -11.930 51.216 -5.715 1.00 0.00 ATOM 439 CZ ARG A 59 -11.213 52.273 -5.318 1.00 0.00 ATOM 440 NH1 ARG A 59 -10.466 52.182 -4.248 1.00 0.00 ATOM 441 NH2 ARG A 59 -11.210 53.394 -6.013 1.00 0.00 ATOM 442 O ARG A 59 -17.263 48.289 -5.106 1.00 0.00 ATOM 443 C ARG A 59 -16.754 48.659 -6.164 1.00 0.00 ATOM 444 N THR A 60 -17.418 49.377 -7.065 1.00 0.00 ATOM 445 CA THR A 60 -18.841 49.631 -6.990 1.00 0.00 ATOM 446 CB THR A 60 -19.313 50.393 -8.269 1.00 0.00 ATOM 447 CG2 THR A 60 -20.797 50.550 -8.273 1.00 0.00 ATOM 448 OG1 THR A 60 -18.770 51.716 -8.222 1.00 0.00 ATOM 449 O THR A 60 -20.698 48.315 -6.136 1.00 0.00 ATOM 450 C THR A 60 -19.655 48.331 -6.799 1.00 0.00 ATOM 451 N ALA A 61 -19.150 47.226 -7.331 1.00 0.00 ATOM 452 CA ALA A 61 -19.865 45.988 -7.195 1.00 0.00 ATOM 453 CB ALA A 61 -19.261 44.925 -8.160 1.00 0.00 ATOM 454 O ALA A 61 -20.748 44.641 -5.415 1.00 0.00 ATOM 455 C ALA A 61 -19.889 45.472 -5.738 1.00 0.00 ATOM 456 N LEU A 62 -18.980 45.968 -4.866 1.00 0.00 ATOM 457 CA LEU A 62 -18.960 45.540 -3.445 1.00 0.00 ATOM 458 CB LEU A 62 -17.606 45.894 -2.772 1.00 0.00 ATOM 459 CG LEU A 62 -16.385 45.257 -3.438 1.00 0.00 ATOM 460 CD1 LEU A 62 -15.091 45.932 -2.883 1.00 0.00 ATOM 461 CD2 LEU A 62 -16.430 43.725 -3.225 1.00 0.00 ATOM 462 O LEU A 62 -20.353 45.688 -1.476 1.00 0.00 ATOM 463 C LEU A 62 -20.096 46.127 -2.608 1.00 0.00 ATOM 464 N LEU A 63 -20.752 47.151 -3.147 1.00 0.00 ATOM 465 CA LEU A 63 -21.904 47.725 -2.495 1.00 0.00 ATOM 466 CB LEU A 63 -22.472 48.884 -3.341 1.00 0.00 ATOM 467 CG LEU A 63 -21.724 50.232 -3.472 1.00 0.00 ATOM 468 CD1 LEU A 63 -22.473 51.144 -4.451 1.00 0.00 ATOM 469 CD2 LEU A 63 -21.650 50.963 -2.107 1.00 0.00 ATOM 470 O LEU A 63 -23.689 46.791 -1.168 1.00 0.00 ATOM 471 C LEU A 63 -22.991 46.656 -2.175 1.00 0.00 ATOM 472 N SER A 64 -23.124 45.614 -3.011 1.00 0.00 ATOM 473 CA SER A 64 -24.070 44.485 -2.766 1.00 0.00 ATOM 474 CB SER A 64 -23.908 43.437 -3.846 1.00 0.00 ATOM 475 OG SER A 64 -24.489 43.886 -5.056 1.00 0.00 ATOM 476 O SER A 64 -24.700 43.071 -0.928 1.00 0.00 ATOM 477 C SER A 64 -23.823 43.767 -1.445 1.00 0.00 ATOM 478 N LEU A 65 -22.618 43.911 -0.910 1.00 0.00 ATOM 479 CA LEU A 65 -22.264 43.246 0.305 1.00 0.00 ATOM 480 CB LEU A 65 -20.762 42.993 0.306 1.00 0.00 ATOM 481 CG LEU A 65 -20.243 42.115 -0.831 1.00 0.00 ATOM 482 CD1 LEU A 65 -18.700 41.899 -0.589 1.00 0.00 ATOM 483 CD2 LEU A 65 -20.959 40.751 -0.935 1.00 0.00 ATOM 484 O LEU A 65 -22.361 43.445 2.654 1.00 0.00 ATOM 485 C LEU A 65 -22.640 43.965 1.588 1.00 0.00 ATOM 486 N PHE A 66 -23.208 45.177 1.501 1.00 0.00 ATOM 487 CA PHE A 66 -23.577 45.950 2.717 1.00 0.00 ATOM 488 CB PHE A 66 -24.106 47.336 2.349 1.00 0.00 ATOM 489 CG PHE A 66 -23.027 48.367 1.995 1.00 0.00 ATOM 490 CD1 PHE A 66 -21.716 47.993 1.715 1.00 0.00 ATOM 491 CD2 PHE A 66 -23.375 49.731 1.872 1.00 0.00 ATOM 492 CE1 PHE A 66 -20.785 48.941 1.329 1.00 0.00 ATOM 493 CE2 PHE A 66 -22.403 50.713 1.532 1.00 0.00 ATOM 494 CZ PHE A 66 -21.117 50.323 1.258 1.00 0.00 ATOM 495 O PHE A 66 -24.803 45.528 4.714 1.00 0.00 ATOM 496 C PHE A 66 -24.663 45.234 3.526 1.00 0.00 ATOM 497 N GLU A 67 -25.476 44.382 2.880 1.00 0.00 ATOM 498 CA GLU A 67 -26.490 43.576 3.588 1.00 0.00 ATOM 499 CB GLU A 67 -27.824 43.531 2.825 1.00 0.00 ATOM 500 CG GLU A 67 -28.401 44.911 2.598 1.00 0.00 ATOM 501 CD GLU A 67 -29.708 44.860 1.860 1.00 0.00 ATOM 502 OE1 GLU A 67 -30.213 43.750 1.673 1.00 0.00 ATOM 503 OE2 GLU A 67 -30.214 45.918 1.453 1.00 0.00 ATOM 504 O GLU A 67 -26.689 41.381 4.572 1.00 0.00 ATOM 505 C GLU A 67 -25.991 42.150 3.931 1.00 0.00 ATOM 506 N TYR A 68 -24.763 41.831 3.544 1.00 0.00 ATOM 507 CA TYR A 68 -24.175 40.495 3.822 1.00 0.00 ATOM 508 CB TYR A 68 -22.733 40.394 3.246 1.00 0.00 ATOM 509 CG TYR A 68 -22.241 38.965 3.245 1.00 0.00 ATOM 510 CD1 TYR A 68 -22.359 38.172 2.085 1.00 0.00 ATOM 511 CD2 TYR A 68 -21.782 38.362 4.427 1.00 0.00 ATOM 512 CE1 TYR A 68 -22.007 36.836 2.085 1.00 0.00 ATOM 513 CE2 TYR A 68 -21.442 37.000 4.451 1.00 0.00 ATOM 514 CZ TYR A 68 -21.529 36.270 3.269 1.00 0.00 ATOM 515 OH TYR A 68 -21.166 34.983 3.272 1.00 0.00 ATOM 516 O TYR A 68 -23.814 41.062 6.129 1.00 0.00 ATOM 517 C TYR A 68 -24.210 40.208 5.365 1.00 0.00 ATOM 518 N PRO A 69 -24.695 39.006 5.800 1.00 0.00 ATOM 519 CA PRO A 69 -24.810 38.731 7.241 1.00 0.00 ATOM 520 CB PRO A 69 -25.777 37.530 7.282 1.00 0.00 ATOM 521 CG PRO A 69 -25.437 36.749 6.022 1.00 0.00 ATOM 522 CD PRO A 69 -25.206 37.865 4.980 1.00 0.00 ATOM 523 O PRO A 69 -23.228 37.286 8.421 1.00 0.00 ATOM 524 C PRO A 69 -23.449 38.401 7.905 1.00 0.00 ATOM 525 N ASN A 70 -22.532 39.361 7.899 1.00 0.00 ATOM 526 CA ASN A 70 -21.273 39.208 8.597 1.00 0.00 ATOM 527 CB ASN A 70 -20.294 38.275 7.866 1.00 0.00 ATOM 528 CG ASN A 70 -18.996 38.082 8.640 1.00 0.00 ATOM 529 ND2 ASN A 70 -18.804 36.895 9.223 1.00 0.00 ATOM 530 OD1 ASN A 70 -18.150 38.974 8.669 1.00 0.00 ATOM 531 O ASN A 70 -20.679 41.380 7.794 1.00 0.00 ATOM 532 C ASN A 70 -20.706 40.616 8.752 1.00 0.00 ATOM 533 N MET A 71 -20.320 40.979 9.956 1.00 0.00 ATOM 534 CA MET A 71 -19.989 42.392 10.222 1.00 0.00 ATOM 535 CB MET A 71 -19.981 42.683 11.730 1.00 0.00 ATOM 536 CG MET A 71 -20.031 44.194 12.068 1.00 0.00 ATOM 537 SD MET A 71 -21.768 44.992 11.338 1.00 0.00 ATOM 538 CE MET A 71 -23.076 44.402 12.702 1.00 0.00 ATOM 539 O MET A 71 -18.391 43.897 9.211 1.00 0.00 ATOM 540 C MET A 71 -18.630 42.741 9.633 1.00 0.00 ATOM 541 N GLN A 72 -17.728 41.769 9.609 1.00 0.00 ATOM 542 CA GLN A 72 -16.450 42.000 8.951 1.00 0.00 ATOM 543 CB GLN A 72 -15.478 40.828 9.212 1.00 0.00 ATOM 544 CG GLN A 72 -13.999 41.064 8.675 1.00 0.00 ATOM 545 CD GLN A 72 -13.222 42.087 9.495 1.00 0.00 ATOM 546 OE1 GLN A 72 -13.714 42.581 10.511 1.00 0.00 ATOM 547 NE2 GLN A 72 -11.974 42.373 9.075 1.00 0.00 ATOM 548 O GLN A 72 -15.921 43.114 6.879 1.00 0.00 ATOM 549 C GLN A 72 -16.619 42.267 7.443 1.00 0.00 ATOM 550 N VAL A 73 -17.512 41.511 6.785 1.00 0.00 ATOM 551 CA VAL A 73 -17.789 41.706 5.364 1.00 0.00 ATOM 552 CB VAL A 73 -18.776 40.624 4.804 1.00 0.00 ATOM 553 CG1 VAL A 73 -19.084 40.841 3.323 1.00 0.00 ATOM 554 CG2 VAL A 73 -18.125 39.229 4.946 1.00 0.00 ATOM 555 O VAL A 73 -17.851 43.858 4.310 1.00 0.00 ATOM 556 C VAL A 73 -18.328 43.133 5.171 1.00 0.00 ATOM 557 N ARG A 74 -19.324 43.509 5.967 1.00 0.00 ATOM 558 CA ARG A 74 -19.936 44.817 5.833 1.00 0.00 ATOM 559 CB ARG A 74 -21.078 44.972 6.850 1.00 0.00 ATOM 560 CG ARG A 74 -22.268 44.036 6.574 1.00 0.00 ATOM 561 CD ARG A 74 -23.482 44.420 7.457 1.00 0.00 ATOM 562 NE ARG A 74 -24.629 43.540 7.165 1.00 0.00 ATOM 563 CZ ARG A 74 -25.887 43.777 7.505 1.00 0.00 ATOM 564 NH1 ARG A 74 -26.220 44.881 8.150 1.00 0.00 ATOM 565 NH2 ARG A 74 -26.843 42.898 7.189 1.00 0.00 ATOM 566 O ARG A 74 -18.939 46.918 5.278 1.00 0.00 ATOM 567 C ARG A 74 -18.914 45.936 6.029 1.00 0.00 ATOM 568 N LEU A 75 -18.080 45.808 7.074 1.00 0.00 ATOM 569 CA LEU A 75 -17.032 46.791 7.398 1.00 0.00 ATOM 570 CB LEU A 75 -16.237 46.383 8.668 1.00 0.00 ATOM 571 CG LEU A 75 -14.987 47.234 8.975 1.00 0.00 ATOM 572 CD1 LEU A 75 -15.353 48.628 9.388 1.00 0.00 ATOM 573 CD2 LEU A 75 -14.241 46.540 10.125 1.00 0.00 ATOM 574 O LEU A 75 -15.765 48.086 5.799 1.00 0.00 ATOM 575 C LEU A 75 -16.050 46.974 6.248 1.00 0.00 ATOM 576 N GLN A 76 -15.521 45.868 5.768 1.00 0.00 ATOM 577 CA GLN A 76 -14.514 45.922 4.729 1.00 0.00 ATOM 578 CB GLN A 76 -13.840 44.557 4.540 1.00 0.00 ATOM 579 CG GLN A 76 -12.873 44.212 5.707 1.00 0.00 ATOM 580 CD GLN A 76 -11.948 45.361 6.042 1.00 0.00 ATOM 581 OE1 GLN A 76 -11.213 45.832 5.191 1.00 0.00 ATOM 582 NE2 GLN A 76 -11.988 45.820 7.289 1.00 0.00 ATOM 583 O GLN A 76 -14.433 47.167 2.714 1.00 0.00 ATOM 584 C GLN A 76 -15.093 46.445 3.420 1.00 0.00 ATOM 585 N ALA A 77 -16.320 46.051 3.115 1.00 0.00 ATOM 586 CA ALA A 77 -17.003 46.523 1.905 1.00 0.00 ATOM 587 CB ALA A 77 -18.364 45.759 1.675 1.00 0.00 ATOM 588 O ALA A 77 -17.022 48.742 0.962 1.00 0.00 ATOM 589 C ALA A 77 -17.239 48.049 1.960 1.00 0.00 ATOM 590 N ALA A 78 -17.616 48.562 3.125 1.00 0.00 ATOM 591 CA ALA A 78 -17.814 49.986 3.294 1.00 0.00 ATOM 592 CB ALA A 78 -18.570 50.277 4.604 1.00 0.00 ATOM 593 O ALA A 78 -16.358 51.761 2.586 1.00 0.00 ATOM 594 C ALA A 78 -16.487 50.724 3.249 1.00 0.00 ATOM 595 N LYS A 79 -15.464 50.186 3.916 1.00 0.00 ATOM 596 CA LYS A 79 -14.132 50.829 3.825 1.00 0.00 ATOM 597 CB LYS A 79 -13.100 50.136 4.725 1.00 0.00 ATOM 598 CG LYS A 79 -13.300 50.465 6.191 1.00 0.00 ATOM 599 CD LYS A 79 -12.531 49.572 7.117 1.00 0.00 ATOM 600 CE LYS A 79 -11.054 49.878 7.169 1.00 0.00 ATOM 601 NZ LYS A 79 -10.390 48.775 7.991 1.00 0.00 ATOM 602 O LYS A 79 -13.043 51.918 2.001 1.00 0.00 ATOM 603 C LYS A 79 -13.602 50.914 2.396 1.00 0.00 ATOM 604 N LEU A 80 -13.814 49.875 1.619 1.00 0.00 ATOM 605 CA LEU A 80 -13.255 49.803 0.255 1.00 0.00 ATOM 606 CB LEU A 80 -12.959 48.322 -0.127 1.00 0.00 ATOM 607 CG LEU A 80 -11.683 47.790 0.564 1.00 0.00 ATOM 608 CD1 LEU A 80 -11.527 46.269 0.428 1.00 0.00 ATOM 609 CD2 LEU A 80 -10.475 48.463 -0.039 1.00 0.00 ATOM 610 O LEU A 80 -13.794 50.469 -1.997 1.00 0.00 ATOM 611 C LEU A 80 -14.151 50.441 -0.808 1.00 0.00 ATOM 612 N THR A 81 -15.320 50.939 -0.406 1.00 0.00 ATOM 613 CA THR A 81 -16.145 51.693 -1.345 1.00 0.00 ATOM 614 CB THR A 81 -17.566 51.098 -1.502 1.00 0.00 ATOM 615 CG2 THR A 81 -17.503 49.743 -2.143 1.00 0.00 ATOM 616 OG1 THR A 81 -18.200 50.955 -0.224 1.00 0.00 ATOM 617 O THR A 81 -16.990 53.910 -1.686 1.00 0.00 ATOM 618 C THR A 81 -16.222 53.184 -1.031 1.00 0.00 ATOM 619 N LEU A 82 -15.467 53.661 -0.044 1.00 0.00 ATOM 620 CA LEU A 82 -15.498 55.108 0.266 1.00 0.00 ATOM 621 CB LEU A 82 -14.592 55.472 1.446 1.00 0.00 ATOM 622 CG LEU A 82 -15.136 55.118 2.837 1.00 0.00 ATOM 623 CD1 LEU A 82 -13.948 54.905 3.817 1.00 0.00 ATOM 624 CD2 LEU A 82 -16.032 56.247 3.317 1.00 0.00 ATOM 625 O LEU A 82 -15.645 57.053 -1.100 1.00 0.00 ATOM 626 C LEU A 82 -15.126 55.969 -0.948 1.00 0.00 ATOM 627 N ALA A 83 -14.251 55.471 -1.820 1.00 0.00 ATOM 628 CA ALA A 83 -13.839 56.270 -2.963 1.00 0.00 ATOM 629 CB ALA A 83 -12.524 55.760 -3.553 1.00 0.00 ATOM 630 O ALA A 83 -15.147 57.365 -4.608 1.00 0.00 ATOM 631 C ALA A 83 -14.918 56.315 -4.024 1.00 0.00 ATOM 632 N VAL A 84 -15.580 55.188 -4.282 1.00 0.00 ATOM 633 CA VAL A 84 -16.537 55.124 -5.387 1.00 0.00 ATOM 634 CB VAL A 84 -16.563 53.735 -6.086 1.00 0.00 ATOM 635 CG1 VAL A 84 -15.214 53.425 -6.706 1.00 0.00 ATOM 636 CG2 VAL A 84 -17.011 52.593 -5.108 1.00 0.00 ATOM 637 O VAL A 84 -18.779 55.828 -5.834 1.00 0.00 ATOM 638 C VAL A 84 -17.948 55.533 -4.975 1.00 0.00 ATOM 639 N ALA A 85 -18.234 55.525 -3.671 1.00 0.00 ATOM 640 CA ALA A 85 -19.593 55.800 -3.173 1.00 0.00 ATOM 641 CB ALA A 85 -20.427 54.524 -3.157 1.00 0.00 ATOM 642 O ALA A 85 -19.830 55.713 -0.784 1.00 0.00 ATOM 643 C ALA A 85 -19.483 56.388 -1.772 1.00 0.00 ATOM 644 N PRO A 86 -18.950 57.626 -1.669 1.00 0.00 ATOM 645 CA PRO A 86 -18.615 58.128 -0.330 1.00 0.00 ATOM 646 CB PRO A 86 -17.978 59.512 -0.596 1.00 0.00 ATOM 647 CG PRO A 86 -18.387 59.890 -1.960 1.00 0.00 ATOM 648 CD PRO A 86 -18.593 58.599 -2.729 1.00 0.00 ATOM 649 O PRO A 86 -19.679 57.916 1.781 1.00 0.00 ATOM 650 C PRO A 86 -19.809 58.244 0.594 1.00 0.00 ATOM 651 N VAL A 87 -20.952 58.691 0.059 1.00 0.00 ATOM 652 CA VAL A 87 -22.181 58.862 0.849 1.00 0.00 ATOM 653 CB VAL A 87 -23.293 59.612 0.058 1.00 0.00 ATOM 654 CG1 VAL A 87 -24.661 59.476 0.759 1.00 0.00 ATOM 655 CG2 VAL A 87 -22.921 61.089 -0.133 1.00 0.00 ATOM 656 O VAL A 87 -22.897 57.359 2.616 1.00 0.00 ATOM 657 C VAL A 87 -22.710 57.511 1.395 1.00 0.00 ATOM 658 N LYS A 88 -22.954 56.555 0.496 1.00 0.00 ATOM 659 CA LYS A 88 -23.375 55.190 0.865 1.00 0.00 ATOM 660 CB LYS A 88 -23.573 54.326 -0.388 1.00 0.00 ATOM 661 CG LYS A 88 -24.874 54.576 -1.174 1.00 0.00 ATOM 662 CD LYS A 88 -24.875 53.769 -2.483 1.00 0.00 ATOM 663 CE LYS A 88 -25.737 54.445 -3.576 1.00 0.00 ATOM 664 NZ LYS A 88 -25.416 53.914 -4.963 1.00 0.00 ATOM 665 O LYS A 88 -22.813 53.859 2.812 1.00 0.00 ATOM 666 C LYS A 88 -22.395 54.496 1.827 1.00 0.00 ATOM 667 N ALA A 89 -21.109 54.561 1.511 1.00 0.00 ATOM 668 CA ALA A 89 -20.078 53.949 2.358 1.00 0.00 ATOM 669 CB ALA A 89 -18.685 54.010 1.704 1.00 0.00 ATOM 670 O ALA A 89 -20.010 53.839 4.758 1.00 0.00 ATOM 671 C ALA A 89 -20.059 54.569 3.758 1.00 0.00 ATOM 672 N ARG A 90 -20.107 55.896 3.830 1.00 0.00 ATOM 673 CA ARG A 90 -20.105 56.611 5.109 1.00 0.00 ATOM 674 CB ARG A 90 -20.044 58.148 4.906 1.00 0.00 ATOM 675 CG ARG A 90 -20.151 58.892 6.225 1.00 0.00 ATOM 676 CD ARG A 90 -19.998 60.430 6.187 1.00 0.00 ATOM 677 NE ARG A 90 -19.674 60.829 7.567 1.00 0.00 ATOM 678 CZ ARG A 90 -18.462 61.169 8.015 1.00 0.00 ATOM 679 NH1 ARG A 90 -17.417 61.229 7.184 1.00 0.00 ATOM 680 NH2 ARG A 90 -18.310 61.473 9.304 1.00 0.00 ATOM 681 O ARG A 90 -21.246 55.937 7.150 1.00 0.00 ATOM 682 C ARG A 90 -21.351 56.197 5.953 1.00 0.00 ATOM 683 N GLU A 91 -22.513 56.147 5.302 1.00 0.00 ATOM 684 CA GLU A 91 -23.761 55.700 5.938 1.00 0.00 ATOM 685 CB GLU A 91 -24.902 55.762 4.921 1.00 0.00 ATOM 686 CG GLU A 91 -26.294 55.332 5.458 1.00 0.00 ATOM 687 CD GLU A 91 -27.400 55.262 4.364 1.00 0.00 ATOM 688 OE1 GLU A 91 -27.169 54.661 3.270 1.00 0.00 ATOM 689 OE2 GLU A 91 -28.519 55.799 4.628 1.00 0.00 ATOM 690 O GLU A 91 -24.126 54.045 7.674 1.00 0.00 ATOM 691 C GLU A 91 -23.647 54.291 6.553 1.00 0.00 ATOM 692 N GLN A 92 -23.047 53.364 5.819 1.00 0.00 ATOM 693 CA GLN A 92 -22.819 52.020 6.344 1.00 0.00 ATOM 694 CB GLN A 92 -22.359 51.044 5.255 1.00 0.00 ATOM 695 CG GLN A 92 -22.046 49.607 5.754 1.00 0.00 ATOM 696 CD GLN A 92 -23.193 48.914 6.452 1.00 0.00 ATOM 697 OE1 GLN A 92 -24.387 49.162 6.163 1.00 0.00 ATOM 698 NE2 GLN A 92 -22.850 48.040 7.393 1.00 0.00 ATOM 699 O GLN A 92 -22.086 51.438 8.533 1.00 0.00 ATOM 700 C GLN A 92 -21.829 52.044 7.517 1.00 0.00 ATOM 701 N LEU A 93 -20.757 52.811 7.420 1.00 0.00 ATOM 702 CA LEU A 93 -19.836 52.866 8.538 1.00 0.00 ATOM 703 CB LEU A 93 -18.601 53.706 8.192 1.00 0.00 ATOM 704 CG LEU A 93 -17.633 53.176 7.133 1.00 0.00 ATOM 705 CD1 LEU A 93 -16.551 54.235 6.857 1.00 0.00 ATOM 706 CD2 LEU A 93 -16.978 51.850 7.637 1.00 0.00 ATOM 707 O LEU A 93 -20.245 52.948 10.863 1.00 0.00 ATOM 708 C LEU A 93 -20.531 53.402 9.768 1.00 0.00 ATOM 709 N GLU A 94 -21.412 54.399 9.582 1.00 0.00 ATOM 710 CA GLU A 94 -22.156 55.008 10.670 1.00 0.00 ATOM 711 CB GLU A 94 -22.921 56.250 10.202 1.00 0.00 ATOM 712 CG GLU A 94 -21.951 57.448 9.950 1.00 0.00 ATOM 713 CD GLU A 94 -22.584 58.686 9.319 1.00 0.00 ATOM 714 OE1 GLU A 94 -23.669 58.606 8.676 1.00 0.00 ATOM 715 OE2 GLU A 94 -21.945 59.752 9.442 1.00 0.00 ATOM 716 O GLU A 94 -23.147 53.962 12.526 1.00 0.00 ATOM 717 C GLU A 94 -23.075 53.989 11.323 1.00 0.00 ATOM 718 N ALA A 95 -23.773 53.178 10.526 1.00 0.00 ATOM 719 CA ALA A 95 -24.598 52.025 11.024 1.00 0.00 ATOM 720 CB ALA A 95 -25.324 51.347 9.866 1.00 0.00 ATOM 721 O ALA A 95 -24.267 50.480 12.827 1.00 0.00 ATOM 722 C ALA A 95 -23.791 50.988 11.816 1.00 0.00 ATOM 723 N ILE A 96 -22.600 50.634 11.319 1.00 0.00 ATOM 724 CA ILE A 96 -21.682 49.771 12.076 1.00 0.00 ATOM 725 CB ILE A 96 -20.432 49.349 11.221 1.00 0.00 ATOM 726 CG1 ILE A 96 -20.915 48.624 9.950 1.00 0.00 ATOM 727 CG2 ILE A 96 -19.430 48.458 12.079 1.00 0.00 ATOM 728 CD1 ILE A 96 -19.735 48.306 8.960 1.00 0.00 ATOM 729 O ILE A 96 -21.446 49.737 14.476 1.00 0.00 ATOM 730 C ILE A 96 -21.300 50.390 13.438 1.00 0.00 ATOM 731 N VAL A 97 -20.823 51.644 13.459 1.00 0.00 ATOM 732 CA VAL A 97 -20.681 52.352 14.759 1.00 0.00 ATOM 733 CB VAL A 97 -20.292 53.837 14.566 1.00 0.00 ATOM 734 CG1 VAL A 97 -20.270 54.568 15.881 1.00 0.00 ATOM 735 CG2 VAL A 97 -18.938 53.941 13.901 1.00 0.00 ATOM 736 O VAL A 97 -21.850 51.922 16.802 1.00 0.00 ATOM 737 C VAL A 97 -21.955 52.260 15.631 1.00 0.00 ATOM 738 N SER A 98 -23.131 52.609 15.094 1.00 0.00 ATOM 739 CA SER A 98 -24.391 52.581 15.881 1.00 0.00 ATOM 740 CB SER A 98 -25.578 52.995 15.037 1.00 0.00 ATOM 741 OG SER A 98 -25.446 54.341 14.709 1.00 0.00 ATOM 742 O SER A 98 -25.348 51.099 17.523 1.00 0.00 ATOM 743 C SER A 98 -24.705 51.213 16.458 1.00 0.00 ATOM 744 N SER A 99 -24.243 50.176 15.774 1.00 0.00 ATOM 745 CA SER A 99 -24.562 48.791 16.211 1.00 0.00 ATOM 746 CB SER A 99 -24.306 47.760 15.089 1.00 0.00 ATOM 747 OG SER A 99 -22.918 47.537 14.909 1.00 0.00 ATOM 748 O SER A 99 -24.182 47.430 18.136 1.00 0.00 ATOM 749 C SER A 99 -23.786 48.388 17.478 1.00 0.00 ATOM 750 N LYS A 100 -22.668 49.085 17.773 1.00 0.00 ATOM 751 CA LYS A 100 -21.849 48.822 18.952 1.00 0.00 ATOM 752 CB LYS A 100 -22.641 49.121 20.253 1.00 0.00 ATOM 753 CG LYS A 100 -23.205 50.548 20.322 1.00 0.00 ATOM 754 CD LYS A 100 -24.121 50.794 21.522 1.00 0.00 ATOM 755 CE LYS A 100 -25.515 50.073 21.411 1.00 0.00 ATOM 756 NZ LYS A 100 -26.513 50.297 22.607 1.00 0.00 ATOM 757 O LYS A 100 -21.068 46.788 19.982 1.00 0.00 ATOM 758 C LYS A 100 -21.314 47.391 18.930 1.00 0.00 ATOM 759 N TRP A 101 -21.143 46.846 17.719 1.00 0.00 ATOM 760 CA TRP A 101 -20.644 45.506 17.521 1.00 0.00 ATOM 761 CB TRP A 101 -21.197 44.982 16.206 1.00 0.00 ATOM 762 CG TRP A 101 -20.847 43.579 15.791 1.00 0.00 ATOM 763 CD1 TRP A 101 -19.614 43.045 15.485 1.00 0.00 ATOM 764 CD2 TRP A 101 -21.806 42.557 15.545 1.00 0.00 ATOM 765 CE2 TRP A 101 -21.105 41.427 15.070 1.00 0.00 ATOM 766 CE3 TRP A 101 -23.207 42.520 15.618 1.00 0.00 ATOM 767 NE1 TRP A 101 -19.766 41.732 15.081 1.00 0.00 ATOM 768 CZ2 TRP A 101 -21.745 40.238 14.752 1.00 0.00 ATOM 769 CZ3 TRP A 101 -23.865 41.314 15.273 1.00 0.00 ATOM 770 CH2 TRP A 101 -23.127 40.214 14.819 1.00 0.00 ATOM 771 O TRP A 101 -18.583 45.934 16.423 1.00 0.00 ATOM 772 C TRP A 101 -19.131 45.549 17.435 1.00 0.00 ATOM 773 N PHE A 102 -18.469 45.077 18.475 1.00 0.00 ATOM 774 CA PHE A 102 -17.023 45.214 18.542 1.00 0.00 ATOM 775 CB PHE A 102 -16.606 45.765 19.920 1.00 0.00 ATOM 776 CG PHE A 102 -16.961 47.253 20.092 1.00 0.00 ATOM 777 CD1 PHE A 102 -17.933 47.648 20.999 1.00 0.00 ATOM 778 CD2 PHE A 102 -16.354 48.237 19.280 1.00 0.00 ATOM 779 CE1 PHE A 102 -18.276 48.980 21.143 1.00 0.00 ATOM 780 CE2 PHE A 102 -16.714 49.586 19.424 1.00 0.00 ATOM 781 CZ PHE A 102 -17.673 49.951 20.349 1.00 0.00 ATOM 782 O PHE A 102 -16.816 42.802 18.353 1.00 0.00 ATOM 783 C PHE A 102 -16.311 43.907 18.121 1.00 0.00 ATOM 784 N PRO A 103 -15.128 44.029 17.512 1.00 0.00 ATOM 785 CA PRO A 103 -14.321 45.260 17.332 1.00 0.00 ATOM 786 CB PRO A 103 -12.896 44.682 17.302 1.00 0.00 ATOM 787 CG PRO A 103 -13.064 43.439 16.495 1.00 0.00 ATOM 788 CD PRO A 103 -14.417 42.846 16.971 1.00 0.00 ATOM 789 O PRO A 103 -14.023 47.142 15.851 1.00 0.00 ATOM 790 C PRO A 103 -14.601 46.062 16.028 1.00 0.00 ATOM 791 N GLN A 104 -15.452 45.541 15.126 1.00 0.00 ATOM 792 CA GLN A 104 -15.747 46.236 13.859 1.00 0.00 ATOM 793 CB GLN A 104 -16.814 45.493 13.020 1.00 0.00 ATOM 794 CG GLN A 104 -16.225 44.224 12.314 1.00 0.00 ATOM 795 CD GLN A 104 -15.990 43.059 13.280 1.00 0.00 ATOM 796 OE1 GLN A 104 -16.570 42.995 14.374 1.00 0.00 ATOM 797 NE2 GLN A 104 -15.128 42.131 12.881 1.00 0.00 ATOM 798 O GLN A 104 -15.822 48.576 13.311 1.00 0.00 ATOM 799 C GLN A 104 -16.218 47.684 14.080 1.00 0.00 ATOM 800 N ALA A 105 -17.062 47.900 15.096 1.00 0.00 ATOM 801 CA ALA A 105 -17.572 49.260 15.395 1.00 0.00 ATOM 802 CB ALA A 105 -18.592 49.203 16.496 1.00 0.00 ATOM 803 O ALA A 105 -16.573 51.450 15.501 1.00 0.00 ATOM 804 C ALA A 105 -16.450 50.253 15.763 1.00 0.00 ATOM 805 N GLY A 106 -15.343 49.759 16.330 1.00 0.00 ATOM 806 CA GLY A 106 -14.237 50.655 16.749 1.00 0.00 ATOM 807 O GLY A 106 -12.951 52.116 15.358 1.00 0.00 ATOM 808 C GLY A 106 -13.407 50.986 15.526 1.00 0.00 ATOM 809 N ASP A 107 -13.246 49.994 14.646 1.00 0.00 ATOM 810 CA ASP A 107 -12.536 50.158 13.377 1.00 0.00 ATOM 811 CB ASP A 107 -12.430 48.779 12.679 1.00 0.00 ATOM 812 CG ASP A 107 -11.574 48.769 11.427 1.00 0.00 ATOM 813 OD1 ASP A 107 -11.601 49.695 10.586 1.00 0.00 ATOM 814 OD2 ASP A 107 -10.900 47.747 11.202 1.00 0.00 ATOM 815 O ASP A 107 -12.741 52.121 11.997 1.00 0.00 ATOM 816 C ASP A 107 -13.329 51.195 12.543 1.00 0.00 ATOM 817 N ALA A 108 -14.657 51.061 12.474 1.00 0.00 ATOM 818 CA ALA A 108 -15.486 51.993 11.688 1.00 0.00 ATOM 819 CB ALA A 108 -16.894 51.465 11.554 1.00 0.00 ATOM 820 O ALA A 108 -15.416 54.354 11.501 1.00 0.00 ATOM 821 C ALA A 108 -15.468 53.398 12.256 1.00 0.00 ATOM 822 N GLY A 109 -15.468 53.500 13.595 1.00 0.00 ATOM 823 CA GLY A 109 -15.370 54.759 14.324 1.00 0.00 ATOM 824 O GLY A 109 -14.103 56.692 13.667 1.00 0.00 ATOM 825 C GLY A 109 -14.073 55.487 13.994 1.00 0.00 ATOM 826 N MET A 110 -12.944 54.766 14.049 1.00 0.00 ATOM 827 CA MET A 110 -11.636 55.320 13.681 1.00 0.00 ATOM 828 CB MET A 110 -10.510 54.334 14.026 1.00 0.00 ATOM 829 CG MET A 110 -9.066 54.841 13.769 1.00 0.00 ATOM 830 SD MET A 110 -8.181 55.903 15.234 1.00 0.00 ATOM 831 CE MET A 110 -8.784 57.682 14.746 1.00 0.00 ATOM 832 O MET A 110 -11.040 56.859 11.895 1.00 0.00 ATOM 833 C MET A 110 -11.579 55.776 12.199 1.00 0.00 ATOM 834 N CYS A 111 -12.155 54.971 11.295 1.00 0.00 ATOM 835 CA CYS A 111 -12.270 55.337 9.886 1.00 0.00 ATOM 836 CB CYS A 111 -13.015 54.273 9.083 1.00 0.00 ATOM 837 SG CYS A 111 -12.807 54.526 7.343 1.00 0.00 ATOM 838 O CYS A 111 -12.520 57.535 8.970 1.00 0.00 ATOM 839 C CYS A 111 -12.986 56.673 9.709 1.00 0.00 ATOM 840 N LEU A 112 -14.118 56.818 10.386 1.00 0.00 ATOM 841 CA LEU A 112 -14.897 58.030 10.319 1.00 0.00 ATOM 842 CB LEU A 112 -16.262 57.788 10.962 1.00 0.00 ATOM 843 CG LEU A 112 -17.240 56.908 10.203 1.00 0.00 ATOM 844 CD1 LEU A 112 -18.479 56.673 11.099 1.00 0.00 ATOM 845 CD2 LEU A 112 -17.612 57.481 8.820 1.00 0.00 ATOM 846 O LEU A 112 -14.191 60.356 10.419 1.00 0.00 ATOM 847 C LEU A 112 -14.148 59.242 10.955 1.00 0.00 ATOM 848 N ASP A 113 -13.434 59.017 12.048 1.00 0.00 ATOM 849 CA ASP A 113 -12.562 60.073 12.646 1.00 0.00 ATOM 850 CB ASP A 113 -11.885 59.570 13.940 1.00 0.00 ATOM 851 CG ASP A 113 -12.890 59.344 15.079 1.00 0.00 ATOM 852 OD1 ASP A 113 -14.019 59.883 14.986 1.00 0.00 ATOM 853 OD2 ASP A 113 -12.577 58.614 16.054 1.00 0.00 ATOM 854 O ASP A 113 -11.360 61.758 11.423 1.00 0.00 ATOM 855 C ASP A 113 -11.514 60.564 11.634 1.00 0.00 ATOM 856 N LEU A 114 -10.845 59.628 10.964 1.00 0.00 ATOM 857 CA LEU A 114 -9.842 59.962 9.969 1.00 0.00 ATOM 858 CB LEU A 114 -9.144 58.683 9.471 1.00 0.00 ATOM 859 CG LEU A 114 -8.232 57.955 10.475 1.00 0.00 ATOM 860 CD1 LEU A 114 -7.949 56.506 10.040 1.00 0.00 ATOM 861 CD2 LEU A 114 -6.968 58.771 10.557 1.00 0.00 ATOM 862 O LEU A 114 -9.924 61.676 8.311 1.00 0.00 ATOM 863 C LEU A 114 -10.482 60.718 8.804 1.00 0.00 ATOM 864 N LEU A 115 -11.661 60.266 8.376 1.00 0.00 ATOM 865 CA LEU A 115 -12.409 60.938 7.309 1.00 0.00 ATOM 866 CB LEU A 115 -13.694 60.148 7.002 1.00 0.00 ATOM 867 CG LEU A 115 -13.486 58.926 6.136 1.00 0.00 ATOM 868 CD1 LEU A 115 -14.759 58.099 6.043 1.00 0.00 ATOM 869 CD2 LEU A 115 -12.986 59.356 4.748 1.00 0.00 ATOM 870 O LEU A 115 -12.750 63.256 6.821 1.00 0.00 ATOM 871 C LEU A 115 -12.784 62.374 7.665 1.00 0.00 ATOM 872 N ASP A 116 -13.171 62.584 8.913 1.00 0.00 ATOM 873 CA ASP A 116 -13.555 63.904 9.414 1.00 0.00 ATOM 874 CB ASP A 116 -14.355 63.785 10.722 1.00 0.00 ATOM 875 CG ASP A 116 -15.723 63.127 10.513 1.00 0.00 ATOM 876 OD1 ASP A 116 -16.249 63.193 9.384 1.00 0.00 ATOM 877 OD2 ASP A 116 -16.284 62.556 11.479 1.00 0.00 ATOM 878 O ASP A 116 -12.523 66.058 9.491 1.00 0.00 ATOM 879 C ASP A 116 -12.356 64.847 9.576 1.00 0.00 ATOM 880 N ASP A 117 -11.170 64.281 9.819 1.00 0.00 ATOM 881 CA ASP A 117 -9.922 65.052 9.880 1.00 0.00 ATOM 882 CB ASP A 117 -8.763 64.200 10.434 1.00 0.00 ATOM 883 CG ASP A 117 -7.425 64.968 10.495 1.00 0.00 ATOM 884 OD1 ASP A 117 -7.276 65.880 11.341 1.00 0.00 ATOM 885 OD2 ASP A 117 -6.512 64.641 9.709 1.00 0.00 ATOM 886 O ASP A 117 -9.111 66.758 8.392 1.00 0.00 ATOM 887 C ASP A 117 -9.573 65.631 8.496 1.00 0.00 ATOM 888 N GLY A 118 -9.789 64.836 7.450 1.00 0.00 ATOM 889 CA GLY A 118 -9.617 65.262 6.077 1.00 0.00 ATOM 890 O GLY A 118 -8.082 65.253 4.259 1.00 0.00 ATOM 891 C GLY A 118 -8.236 65.079 5.485 1.00 0.00 ATOM 892 N THR A 119 -7.217 64.794 6.317 1.00 0.00 ATOM 893 CA THR A 119 -5.852 64.496 5.791 1.00 0.00 ATOM 894 CB THR A 119 -4.720 64.481 6.881 1.00 0.00 ATOM 895 CG2 THR A 119 -3.303 64.326 6.247 1.00 0.00 ATOM 896 OG1 THR A 119 -4.731 65.709 7.621 1.00 0.00 ATOM 897 O THR A 119 -5.283 62.953 4.015 1.00 0.00 ATOM 898 C THR A 119 -5.924 63.147 5.058 1.00 0.00 ATOM 899 N PHE A 120 -6.743 62.248 5.613 1.00 0.00 ATOM 900 CA PHE A 120 -7.090 60.990 4.979 1.00 0.00 ATOM 901 CB PHE A 120 -7.301 59.909 6.051 1.00 0.00 ATOM 902 CG PHE A 120 -7.897 58.628 5.534 1.00 0.00 ATOM 903 CD1 PHE A 120 -7.124 57.721 4.809 1.00 0.00 ATOM 904 CD2 PHE A 120 -9.234 58.313 5.800 1.00 0.00 ATOM 905 CE1 PHE A 120 -7.701 56.500 4.346 1.00 0.00 ATOM 906 CE2 PHE A 120 -9.813 57.105 5.356 1.00 0.00 ATOM 907 CZ PHE A 120 -9.044 56.201 4.629 1.00 0.00 ATOM 908 O PHE A 120 -9.409 61.533 4.477 1.00 0.00 ATOM 909 C PHE A 120 -8.312 61.139 4.057 1.00 0.00 ATOM 910 N LYS A 121 -8.102 60.802 2.798 1.00 0.00 ATOM 911 CA LYS A 121 -9.163 60.810 1.822 1.00 0.00 ATOM 912 CB LYS A 121 -9.176 62.146 1.085 1.00 0.00 ATOM 913 O LYS A 121 -7.830 59.487 0.341 1.00 0.00 ATOM 914 C LYS A 121 -8.936 59.668 0.841 1.00 0.00 ATOM 915 N PRO A 122 -9.976 58.887 0.583 1.00 0.00 ATOM 916 CA PRO A 122 -9.883 57.792 -0.383 1.00 0.00 ATOM 917 CB PRO A 122 -10.950 56.813 0.104 1.00 0.00 ATOM 918 CG PRO A 122 -11.136 57.132 1.515 1.00 0.00 ATOM 919 CD PRO A 122 -10.990 58.609 1.604 1.00 0.00 ATOM 920 O PRO A 122 -11.201 58.916 -2.002 1.00 0.00 ATOM 921 C PRO A 122 -10.196 58.260 -1.789 1.00 0.00 ATOM 922 N LYS A 123 -9.314 57.953 -2.729 1.00 0.00 ATOM 923 CA LYS A 123 -9.382 56.724 -3.498 1.00 0.00 ATOM 924 O LYS A 123 -9.746 56.174 -5.791 1.00 0.00 ATOM 925 C LYS A 123 -9.932 56.978 -4.893 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_558026209.pdb -s /var/tmp/to_scwrl_558026209.seq -o /var/tmp/from_scwrl_558026209.pdb > /var/tmp/scwrl_558026209.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_558026209.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 83 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model2.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -41.042 # GDT_score(maxd=8.000,maxw=2.900)= -40.853 # GDT_score(maxd=8.000,maxw=3.200)= -39.941 # GDT_score(maxd=8.000,maxw=3.500)= -38.552 # GDT_score(maxd=10.000,maxw=3.800)= -40.077 # GDT_score(maxd=10.000,maxw=4.000)= -39.035 # GDT_score(maxd=10.000,maxw=4.200)= -37.995 # GDT_score(maxd=12.000,maxw=4.300)= -40.219 # GDT_score(maxd=12.000,maxw=4.500)= -39.182 # GDT_score(maxd=12.000,maxw=4.700)= -38.132 # GDT_score(maxd=14.000,maxw=5.200)= -38.156 # GDT_score(maxd=14.000,maxw=5.500)= -36.709 # command:# request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_326869717.pdb -s /var/tmp/to_scwrl_326869717.seq -o /var/tmp/from_scwrl_326869717.pdb > /var/tmp/scwrl_326869717.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_326869717.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 103 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model3.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -45.417 # GDT_score(maxd=8.000,maxw=2.900)= -44.883 # GDT_score(maxd=8.000,maxw=3.200)= -43.784 # GDT_score(maxd=8.000,maxw=3.500)= -42.424 # GDT_score(maxd=10.000,maxw=3.800)= -44.091 # GDT_score(maxd=10.000,maxw=4.000)= -42.965 # GDT_score(maxd=10.000,maxw=4.200)= -41.764 # GDT_score(maxd=12.000,maxw=4.300)= -43.980 # GDT_score(maxd=12.000,maxw=4.500)= -42.786 # GDT_score(maxd=12.000,maxw=4.700)= -41.608 # GDT_score(maxd=14.000,maxw=5.200)= -41.228 # GDT_score(maxd=14.000,maxw=5.500)= -39.691 # command:# request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1751412220.pdb -s /var/tmp/to_scwrl_1751412220.seq -o /var/tmp/from_scwrl_1751412220.pdb > /var/tmp/scwrl_1751412220.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1751412220.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 120 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model4.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -28.958 # GDT_score(maxd=8.000,maxw=2.900)= -27.138 # GDT_score(maxd=8.000,maxw=3.200)= -26.480 # GDT_score(maxd=8.000,maxw=3.500)= -25.786 # GDT_score(maxd=10.000,maxw=3.800)= -27.740 # GDT_score(maxd=10.000,maxw=4.000)= -27.165 # GDT_score(maxd=10.000,maxw=4.200)= -26.626 # GDT_score(maxd=12.000,maxw=4.300)= -28.974 # GDT_score(maxd=12.000,maxw=4.500)= -28.390 # GDT_score(maxd=12.000,maxw=4.700)= -27.856 # GDT_score(maxd=14.000,maxw=5.200)= -28.915 # GDT_score(maxd=14.000,maxw=5.500)= -28.153 # command:# request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_14574955.pdb -s /var/tmp/to_scwrl_14574955.seq -o /var/tmp/from_scwrl_14574955.pdb > /var/tmp/scwrl_14574955.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_14574955.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 108 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model5.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -28.958 # GDT_score(maxd=8.000,maxw=2.900)= -27.287 # GDT_score(maxd=8.000,maxw=3.200)= -26.491 # GDT_score(maxd=8.000,maxw=3.500)= -25.686 # GDT_score(maxd=10.000,maxw=3.800)= -27.900 # GDT_score(maxd=10.000,maxw=4.000)= -27.301 # GDT_score(maxd=10.000,maxw=4.200)= -26.704 # GDT_score(maxd=12.000,maxw=4.300)= -29.134 # GDT_score(maxd=12.000,maxw=4.500)= -28.481 # GDT_score(maxd=12.000,maxw=4.700)= -27.836 # GDT_score(maxd=14.000,maxw=5.200)= -28.576 # GDT_score(maxd=14.000,maxw=5.500)= -27.594 # command:# request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_508621314.pdb -s /var/tmp/to_scwrl_508621314.seq -o /var/tmp/from_scwrl_508621314.pdb > /var/tmp/scwrl_508621314.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_508621314.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 T0382.try1-opt2.pdb looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/try1.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -29.583 # GDT_score(maxd=8.000,maxw=2.900)= -29.679 # GDT_score(maxd=8.000,maxw=3.200)= -28.665 # GDT_score(maxd=8.000,maxw=3.500)= -27.685 # GDT_score(maxd=10.000,maxw=3.800)= -29.452 # GDT_score(maxd=10.000,maxw=4.000)= -28.773 # GDT_score(maxd=10.000,maxw=4.200)= -28.129 # GDT_score(maxd=12.000,maxw=4.300)= -30.294 # GDT_score(maxd=12.000,maxw=4.500)= -29.611 # GDT_score(maxd=12.000,maxw=4.700)= -28.954 # GDT_score(maxd=14.000,maxw=5.200)= -29.691 # GDT_score(maxd=14.000,maxw=5.500)= -28.636 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0382.try1-real.pdb for output Error: Couldn't open file T0382.try1-real.pdb for output superimposing iter= 0 total_weight= 1404.000 rmsd (weighted)= 14.995 (unweighted)= 16.276 superimposing iter= 1 total_weight= 1596.227 rmsd (weighted)= 11.059 (unweighted)= 16.271 superimposing iter= 2 total_weight= 1238.283 rmsd (weighted)= 9.127 (unweighted)= 16.537 superimposing iter= 3 total_weight= 1542.060 rmsd (weighted)= 6.700 (unweighted)= 16.886 superimposing iter= 4 total_weight= 1603.150 rmsd (weighted)= 4.863 (unweighted)= 17.075 superimposing iter= 5 total_weight= 1566.720 rmsd (weighted)= 3.588 (unweighted)= 17.147 EXPDTA T0382.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0382.try1-opt2.pdb ATOM 1 N MET A 1 -9.485 42.809 -5.846 1.00 0.00 ATOM 2 CA MET A 1 -8.547 41.788 -5.318 1.00 0.00 ATOM 3 CB MET A 1 -8.796 40.442 -5.993 1.00 0.00 ATOM 4 CG MET A 1 -7.866 39.333 -5.534 1.00 0.00 ATOM 5 SD MET A 1 -7.947 39.069 -3.754 1.00 0.00 ATOM 6 CE MET A 1 -6.584 37.926 -3.521 1.00 0.00 ATOM 7 O MET A 1 -6.794 42.824 -6.617 1.00 0.00 ATOM 8 C MET A 1 -7.105 42.151 -5.604 1.00 0.00 ATOM 9 N SER A 2 -6.211 41.673 -4.740 1.00 0.00 ATOM 10 CA SER A 2 -4.816 42.070 -4.849 1.00 0.00 ATOM 11 CB SER A 2 -4.047 41.829 -3.551 1.00 0.00 ATOM 12 OG SER A 2 -3.846 40.451 -3.312 1.00 0.00 ATOM 13 O SER A 2 -3.263 41.805 -6.685 1.00 0.00 ATOM 14 C SER A 2 -4.101 41.260 -5.939 1.00 0.00 ATOM 15 N LYS A 3 -4.451 40.010 -6.094 1.00 0.00 ATOM 16 CA LYS A 3 -3.772 39.157 -7.066 1.00 0.00 ATOM 17 CB LYS A 3 -3.294 37.920 -6.830 1.00 0.00 ATOM 18 CG LYS A 3 -1.847 38.030 -6.391 1.00 0.00 ATOM 19 CD LYS A 3 -1.065 36.783 -6.780 1.00 0.00 ATOM 20 CE LYS A 3 -1.044 36.653 -8.306 1.00 0.00 ATOM 21 NZ LYS A 3 -0.129 35.609 -8.869 1.00 0.00 ATOM 22 O LYS A 3 -5.422 39.191 -8.833 1.00 0.00 ATOM 23 C LYS A 3 -4.245 39.363 -8.509 1.00 0.00 ATOM 24 N LEU A 4 -3.244 39.903 -9.342 1.00 0.00 ATOM 25 CA LEU A 4 -3.619 40.112 -10.745 1.00 0.00 ATOM 26 CB LEU A 4 -2.381 40.431 -11.587 1.00 0.00 ATOM 27 CG LEU A 4 -1.731 41.795 -11.346 1.00 0.00 ATOM 28 CD1 LEU A 4 -0.426 41.912 -12.121 1.00 0.00 ATOM 29 CD2 LEU A 4 -2.653 42.918 -11.796 1.00 0.00 ATOM 30 O LEU A 4 -5.187 39.005 -12.161 1.00 0.00 ATOM 31 C LEU A 4 -4.268 38.883 -11.368 1.00 0.00 ATOM 32 N ASP A 5 -3.784 37.674 -10.978 1.00 0.00 ATOM 33 CA ASP A 5 -4.338 36.444 -11.518 1.00 0.00 ATOM 34 CB ASP A 5 -3.705 35.254 -10.797 1.00 0.00 ATOM 35 CG ASP A 5 -2.267 35.018 -11.216 1.00 0.00 ATOM 36 OD1 ASP A 5 -1.832 35.626 -12.217 1.00 0.00 ATOM 37 OD2 ASP A 5 -1.573 34.226 -10.542 1.00 0.00 ATOM 38 O ASP A 5 -6.587 35.947 -12.229 1.00 0.00 ATOM 39 C ASP A 5 -5.851 36.345 -11.322 1.00 0.00 ATOM 40 N LEU A 6 -6.321 36.714 -10.135 1.00 0.00 ATOM 41 CA LEU A 6 -7.743 36.619 -9.847 1.00 0.00 ATOM 42 CB LEU A 6 -7.998 36.811 -8.350 1.00 0.00 ATOM 43 CG LEU A 6 -7.452 35.722 -7.424 1.00 0.00 ATOM 44 CD1 LEU A 6 -7.671 36.097 -5.967 1.00 0.00 ATOM 45 CD2 LEU A 6 -8.149 34.397 -7.683 1.00 0.00 ATOM 46 O LEU A 6 -9.825 37.343 -10.862 1.00 0.00 ATOM 47 C LEU A 6 -8.641 37.604 -10.599 1.00 0.00 ATOM 48 N HIS A 7 -8.105 38.732 -10.950 1.00 0.00 ATOM 49 CA HIS A 7 -8.797 39.710 -11.802 1.00 0.00 ATOM 50 CB HIS A 7 -7.894 40.827 -12.148 1.00 0.00 ATOM 51 CG HIS A 7 -7.631 41.708 -10.976 1.00 0.00 ATOM 52 CD2 HIS A 7 -6.533 41.837 -10.176 1.00 0.00 ATOM 53 ND1 HIS A 7 -8.592 42.531 -10.437 1.00 0.00 ATOM 54 CE1 HIS A 7 -8.075 43.190 -9.413 1.00 0.00 ATOM 55 NE2 HIS A 7 -6.836 42.765 -9.219 1.00 0.00 ATOM 56 O HIS A 7 -10.106 39.638 -13.808 1.00 0.00 ATOM 57 C HIS A 7 -9.207 39.118 -13.148 1.00 0.00 ATOM 58 N GLN A 8 -8.526 37.970 -13.552 1.00 0.00 ATOM 59 CA GLN A 8 -8.874 37.293 -14.795 1.00 0.00 ATOM 60 CB GLN A 8 -8.186 35.983 -15.182 1.00 0.00 ATOM 61 CG GLN A 8 -6.812 36.163 -15.807 1.00 0.00 ATOM 62 CD GLN A 8 -6.130 34.844 -16.105 1.00 0.00 ATOM 63 OE1 GLN A 8 -6.695 33.775 -15.873 1.00 0.00 ATOM 64 NE2 GLN A 8 -4.908 34.914 -16.623 1.00 0.00 ATOM 65 O GLN A 8 -11.030 36.754 -15.700 1.00 0.00 ATOM 66 C GLN A 8 -10.351 36.950 -14.687 1.00 0.00 ATOM 67 N MET A 9 -10.831 36.831 -13.451 1.00 0.00 ATOM 68 CA MET A 9 -12.227 36.509 -13.174 1.00 0.00 ATOM 69 CB MET A 9 -12.382 35.963 -11.753 1.00 0.00 ATOM 70 CG MET A 9 -11.736 34.604 -11.537 1.00 0.00 ATOM 71 SD MET A 9 -11.886 34.026 -9.834 1.00 0.00 ATOM 72 CE MET A 9 -13.651 33.747 -9.727 1.00 0.00 ATOM 73 O MET A 9 -12.475 38.882 -13.375 1.00 0.00 ATOM 74 C MET A 9 -13.041 37.788 -13.324 1.00 0.00 ATOM 75 N THR A 10 -14.358 37.664 -13.413 1.00 0.00 ATOM 76 CA THR A 10 -15.218 38.836 -13.487 1.00 0.00 ATOM 77 CB THR A 10 -16.660 38.455 -13.872 1.00 0.00 ATOM 78 CG2 THR A 10 -16.679 37.735 -15.212 1.00 0.00 ATOM 79 OG1 THR A 10 -17.213 37.592 -12.872 1.00 0.00 ATOM 80 O THR A 10 -14.945 38.906 -11.126 1.00 0.00 ATOM 81 C THR A 10 -15.247 39.519 -12.146 1.00 0.00 ATOM 82 N THR A 11 -15.625 40.790 -12.138 1.00 0.00 ATOM 83 CA THR A 11 -15.812 41.542 -10.899 1.00 0.00 ATOM 84 CB THR A 11 -16.337 42.963 -11.175 1.00 0.00 ATOM 85 CG2 THR A 11 -16.560 43.711 -9.869 1.00 0.00 ATOM 86 OG1 THR A 11 -15.382 43.683 -11.964 1.00 0.00 ATOM 87 O THR A 11 -16.602 40.854 -8.749 1.00 0.00 ATOM 88 C THR A 11 -16.816 40.906 -9.964 1.00 0.00 ATOM 89 N GLN A 12 -17.899 40.395 -10.529 1.00 0.00 ATOM 90 CA GLN A 12 -18.895 39.680 -9.778 1.00 0.00 ATOM 91 CB GLN A 12 -20.035 39.232 -10.695 1.00 0.00 ATOM 92 CG GLN A 12 -20.926 40.366 -11.177 1.00 0.00 ATOM 93 CD GLN A 12 -21.960 39.905 -12.186 1.00 0.00 ATOM 94 OE1 GLN A 12 -21.971 38.744 -12.593 1.00 0.00 ATOM 95 NE2 GLN A 12 -22.835 40.818 -12.591 1.00 0.00 ATOM 96 O GLN A 12 -18.567 38.198 -7.918 1.00 0.00 ATOM 97 C GLN A 12 -18.312 38.447 -9.098 1.00 0.00 ATOM 98 N ASP A 13 -17.529 37.699 -9.833 1.00 0.00 ATOM 99 CA ASP A 13 -16.914 36.504 -9.278 1.00 0.00 ATOM 100 CB ASP A 13 -16.068 35.791 -10.334 1.00 0.00 ATOM 101 CG ASP A 13 -16.909 35.049 -11.352 1.00 0.00 ATOM 102 OD1 ASP A 13 -18.124 34.885 -11.113 1.00 0.00 ATOM 103 OD2 ASP A 13 -16.354 34.629 -12.390 1.00 0.00 ATOM 104 O ASP A 13 -15.955 36.126 -7.094 1.00 0.00 ATOM 105 C ASP A 13 -15.978 36.832 -8.114 1.00 0.00 ATOM 106 N LEU A 14 -15.178 37.895 -8.276 1.00 0.00 ATOM 107 CA LEU A 14 -14.232 38.323 -7.255 1.00 0.00 ATOM 108 CB LEU A 14 -13.401 39.507 -7.752 1.00 0.00 ATOM 109 CG LEU A 14 -12.394 39.208 -8.865 1.00 0.00 ATOM 110 CD1 LEU A 14 -11.774 40.494 -9.388 1.00 0.00 ATOM 111 CD2 LEU A 14 -11.276 38.315 -8.352 1.00 0.00 ATOM 112 O LEU A 14 -14.591 38.463 -4.895 1.00 0.00 ATOM 113 C LEU A 14 -15.013 38.726 -6.021 1.00 0.00 ATOM 114 N VAL A 15 -16.142 39.408 -6.235 1.00 0.00 ATOM 115 CA VAL A 15 -16.987 39.837 -5.117 1.00 0.00 ATOM 116 CB VAL A 15 -18.180 40.679 -5.602 1.00 0.00 ATOM 117 CG1 VAL A 15 -19.142 40.951 -4.455 1.00 0.00 ATOM 118 CG2 VAL A 15 -17.701 42.014 -6.153 1.00 0.00 ATOM 119 O VAL A 15 -17.416 38.557 -3.125 1.00 0.00 ATOM 120 C VAL A 15 -17.462 38.598 -4.355 1.00 0.00 ATOM 121 N ALA A 16 -17.937 37.582 -5.088 1.00 0.00 ATOM 122 CA ALA A 16 -18.424 36.360 -4.459 1.00 0.00 ATOM 123 CB ALA A 16 -18.826 35.355 -5.526 1.00 0.00 ATOM 124 O ALA A 16 -17.429 35.392 -2.479 1.00 0.00 ATOM 125 C ALA A 16 -17.255 35.768 -3.636 1.00 0.00 ATOM 126 N LEU A 17 -16.076 35.659 -4.241 1.00 0.00 ATOM 127 CA LEU A 17 -14.913 35.107 -3.534 1.00 0.00 ATOM 128 CB LEU A 17 -13.677 35.134 -4.435 1.00 0.00 ATOM 129 CG LEU A 17 -12.379 34.601 -3.820 1.00 0.00 ATOM 130 CD1 LEU A 17 -12.527 33.135 -3.443 1.00 0.00 ATOM 131 CD2 LEU A 17 -11.228 34.725 -4.806 1.00 0.00 ATOM 132 O LEU A 17 -14.258 35.377 -1.252 1.00 0.00 ATOM 133 C LEU A 17 -14.551 35.930 -2.306 1.00 0.00 ATOM 134 N PHE A 18 -14.593 37.246 -2.420 1.00 0.00 ATOM 135 CA PHE A 18 -14.182 38.108 -1.318 1.00 0.00 ATOM 136 CB PHE A 18 -14.221 39.583 -1.712 1.00 0.00 ATOM 137 CG PHE A 18 -12.937 40.083 -2.321 1.00 0.00 ATOM 138 CD1 PHE A 18 -11.766 40.105 -1.588 1.00 0.00 ATOM 139 CD2 PHE A 18 -12.919 40.516 -3.625 1.00 0.00 ATOM 140 CE1 PHE A 18 -10.582 40.572 -2.166 1.00 0.00 ATOM 141 CE2 PHE A 18 -11.723 40.986 -4.203 1.00 0.00 ATOM 142 CZ PHE A 18 -10.577 40.982 -3.476 1.00 0.00 ATOM 143 O PHE A 18 -14.663 38.033 1.040 1.00 0.00 ATOM 144 C PHE A 18 -15.128 38.016 -0.106 1.00 0.00 ATOM 145 N ALA A 19 -16.459 37.829 -0.320 1.00 0.00 ATOM 146 CA ALA A 19 -17.390 37.583 0.789 1.00 0.00 ATOM 147 CB ALA A 19 -18.800 37.448 0.234 1.00 0.00 ATOM 148 O ALA A 19 -17.011 36.215 2.756 1.00 0.00 ATOM 149 C ALA A 19 -17.034 36.281 1.513 1.00 0.00 ATOM 150 N LYS A 20 -16.701 35.232 0.744 1.00 0.00 ATOM 151 CA LYS A 20 -16.338 33.954 1.337 1.00 0.00 ATOM 152 CB LYS A 20 -16.182 32.902 0.238 1.00 0.00 ATOM 153 CG LYS A 20 -17.482 32.530 -0.455 1.00 0.00 ATOM 154 CD LYS A 20 -17.257 31.480 -1.529 1.00 0.00 ATOM 155 CE LYS A 20 -18.552 31.134 -2.246 1.00 0.00 ATOM 156 NZ LYS A 20 -18.341 30.122 -3.316 1.00 0.00 ATOM 157 O LYS A 20 -14.933 33.524 3.226 1.00 0.00 ATOM 158 C LYS A 20 -15.019 34.047 2.114 1.00 0.00 ATOM 159 N VAL A 21 -14.019 34.757 1.570 1.00 0.00 ATOM 160 CA VAL A 21 -12.709 34.909 2.250 1.00 0.00 ATOM 161 CB VAL A 21 -11.718 35.713 1.390 1.00 0.00 ATOM 162 CG1 VAL A 21 -10.465 36.040 2.187 1.00 0.00 ATOM 163 CG2 VAL A 21 -11.310 34.916 0.160 1.00 0.00 ATOM 164 O VAL A 21 -12.376 35.262 4.599 1.00 0.00 ATOM 165 C VAL A 21 -12.914 35.655 3.578 1.00 0.00 ATOM 166 N THR A 22 -13.670 36.754 3.557 1.00 0.00 ATOM 167 CA THR A 22 -13.954 37.523 4.768 1.00 0.00 ATOM 168 CB THR A 22 -14.951 38.664 4.493 1.00 0.00 ATOM 169 CG2 THR A 22 -15.263 39.421 5.774 1.00 0.00 ATOM 170 OG1 THR A 22 -14.388 39.574 3.540 1.00 0.00 ATOM 171 O THR A 22 -14.123 36.758 7.062 1.00 0.00 ATOM 172 C THR A 22 -14.562 36.690 5.899 1.00 0.00 ATOM 173 N VAL A 23 -15.544 35.877 5.564 1.00 0.00 ATOM 174 CA VAL A 23 -16.173 35.037 6.546 1.00 0.00 ATOM 175 CB VAL A 23 -17.345 34.241 5.941 1.00 0.00 ATOM 176 CG1 VAL A 23 -17.865 33.218 6.939 1.00 0.00 ATOM 177 CG2 VAL A 23 -18.488 35.175 5.572 1.00 0.00 ATOM 178 O VAL A 23 -15.059 33.915 8.359 1.00 0.00 ATOM 179 C VAL A 23 -15.145 34.076 7.132 1.00 0.00 ATOM 180 N GLU A 24 -14.316 33.430 6.288 1.00 0.00 ATOM 181 CA GLU A 24 -13.306 32.509 6.820 1.00 0.00 ATOM 182 CB GLU A 24 -12.547 31.834 5.676 1.00 0.00 ATOM 183 CG GLU A 24 -13.375 30.834 4.885 1.00 0.00 ATOM 184 CD GLU A 24 -12.629 30.280 3.687 1.00 0.00 ATOM 185 OE1 GLU A 24 -11.492 30.730 3.433 1.00 0.00 ATOM 186 OE2 GLU A 24 -13.182 29.394 3.000 1.00 0.00 ATOM 187 O GLU A 24 -11.755 32.667 8.649 1.00 0.00 ATOM 188 C GLU A 24 -12.288 33.251 7.664 1.00 0.00 ATOM 189 N GLN A 25 -11.921 34.544 7.313 1.00 0.00 ATOM 190 CA GLN A 25 -10.930 35.337 8.056 1.00 0.00 ATOM 191 CB GLN A 25 -10.544 36.596 7.309 1.00 0.00 ATOM 192 CG GLN A 25 -9.952 36.279 5.924 1.00 0.00 ATOM 193 CD GLN A 25 -8.748 35.364 6.021 1.00 0.00 ATOM 194 OE1 GLN A 25 -7.677 35.755 6.512 1.00 0.00 ATOM 195 NE2 GLN A 25 -8.911 34.138 5.567 1.00 0.00 ATOM 196 O GLN A 25 -10.769 35.626 10.446 1.00 0.00 ATOM 197 C GLN A 25 -11.485 35.660 9.445 1.00 0.00 ATOM 198 N ASP A 26 -12.775 35.963 9.500 1.00 0.00 ATOM 199 CA ASP A 26 -13.428 36.307 10.761 1.00 0.00 ATOM 200 CB ASP A 26 -14.897 36.666 10.523 1.00 0.00 ATOM 201 CG ASP A 26 -15.066 38.014 9.853 1.00 0.00 ATOM 202 OD1 ASP A 26 -14.076 38.774 9.787 1.00 0.00 ATOM 203 OD2 ASP A 26 -16.189 38.313 9.394 1.00 0.00 ATOM 204 O ASP A 26 -13.042 35.317 12.903 1.00 0.00 ATOM 205 C ASP A 26 -13.360 35.126 11.733 1.00 0.00 ATOM 206 N ASP A 27 -13.639 33.916 11.254 1.00 0.00 ATOM 207 CA ASP A 27 -13.514 32.741 12.106 1.00 0.00 ATOM 208 CB ASP A 27 -13.863 31.473 11.323 1.00 0.00 ATOM 209 CG ASP A 27 -15.347 31.354 11.039 1.00 0.00 ATOM 210 OD1 ASP A 27 -16.131 32.117 11.641 1.00 0.00 ATOM 211 OD2 ASP A 27 -15.725 30.498 10.211 1.00 0.00 ATOM 212 O ASP A 27 -11.841 32.310 13.793 1.00 0.00 ATOM 213 C ASP A 27 -12.080 32.588 12.614 1.00 0.00 ATOM 214 N ALA A 28 -11.086 32.766 11.746 1.00 0.00 ATOM 215 CA ALA A 28 -9.681 32.696 12.133 1.00 0.00 ATOM 216 CB ALA A 28 -8.768 32.800 10.921 1.00 0.00 ATOM 217 O ALA A 28 -8.611 33.594 14.085 1.00 0.00 ATOM 218 C ALA A 28 -9.318 33.816 13.104 1.00 0.00 ATOM 219 N LEU A 29 -9.826 35.022 12.849 1.00 0.00 ATOM 220 CA LEU A 29 -9.555 36.168 13.699 1.00 0.00 ATOM 221 CB LEU A 29 -10.231 37.429 13.160 1.00 0.00 ATOM 222 CG LEU A 29 -10.012 38.713 13.964 1.00 0.00 ATOM 223 CD1 LEU A 29 -8.535 39.071 14.012 1.00 0.00 ATOM 224 CD2 LEU A 29 -10.764 39.876 13.336 1.00 0.00 ATOM 225 O LEU A 29 -9.484 36.365 16.078 1.00 0.00 ATOM 226 C LEU A 29 -10.121 35.991 15.108 1.00 0.00 ATOM 227 N LEU A 30 -11.340 35.482 15.207 1.00 0.00 ATOM 228 CA LEU A 30 -11.890 35.122 16.501 1.00 0.00 ATOM 229 CB LEU A 30 -13.320 34.599 16.342 1.00 0.00 ATOM 230 CG LEU A 30 -14.368 35.620 15.890 1.00 0.00 ATOM 231 CD1 LEU A 30 -15.694 34.935 15.598 1.00 0.00 ATOM 232 CD2 LEU A 30 -14.600 36.666 16.969 1.00 0.00 ATOM 233 O LEU A 30 -10.838 33.999 18.335 1.00 0.00 ATOM 234 C LEU A 30 -11.009 34.058 17.119 1.00 0.00 ATOM 235 N GLY A 31 -10.429 33.134 16.244 1.00 0.00 ATOM 236 CA GLY A 31 -9.489 32.137 16.712 1.00 0.00 ATOM 237 O GLY A 31 -7.309 32.033 17.734 1.00 0.00 ATOM 238 C GLY A 31 -8.176 32.760 17.185 1.00 0.00 ATOM 239 N ASN A 32 -8.008 34.115 17.007 1.00 0.00 ATOM 240 CA ASN A 32 -6.763 34.753 17.434 1.00 0.00 ATOM 241 CB ASN A 32 -6.859 34.943 19.099 1.00 0.00 ATOM 242 CG ASN A 32 -8.061 35.594 19.704 1.00 0.00 ATOM 243 ND2 ASN A 32 -8.843 34.856 20.496 1.00 0.00 ATOM 244 OD1 ASN A 32 -8.364 36.755 19.460 1.00 0.00 ATOM 245 O ASN A 32 -4.421 34.161 17.333 1.00 0.00 ATOM 246 C ASN A 32 -5.529 34.098 16.797 1.00 0.00 ATOM 247 N GLN A 33 -5.752 33.469 15.638 1.00 0.00 ATOM 248 CA GLN A 33 -4.664 32.930 14.840 1.00 0.00 ATOM 249 CB GLN A 33 -5.212 32.135 13.653 1.00 0.00 ATOM 250 CG GLN A 33 -5.889 30.831 14.039 1.00 0.00 ATOM 251 CD GLN A 33 -6.516 30.126 12.853 1.00 0.00 ATOM 252 OE1 GLN A 33 -6.538 30.657 11.742 1.00 0.00 ATOM 253 NE2 GLN A 33 -7.030 28.923 13.084 1.00 0.00 ATOM 254 O GLN A 33 -2.590 34.056 14.410 1.00 0.00 ATOM 255 C GLN A 33 -3.820 34.090 14.340 1.00 0.00 ATOM 256 N ILE A 34 -4.480 35.125 13.829 1.00 0.00 ATOM 257 CA ILE A 34 -3.772 36.310 13.349 1.00 0.00 ATOM 258 CB ILE A 34 -4.789 37.308 12.704 1.00 0.00 ATOM 259 CG1 ILE A 34 -5.283 36.748 11.362 1.00 0.00 ATOM 260 CG2 ILE A 34 -4.140 38.677 12.527 1.00 0.00 ATOM 261 CD1 ILE A 34 -6.506 37.456 10.800 1.00 0.00 ATOM 262 O ILE A 34 -1.851 37.342 14.366 1.00 0.00 ATOM 263 C ILE A 34 -3.012 36.941 14.509 1.00 0.00 ATOM 264 N SER A 35 -3.683 37.039 15.654 1.00 0.00 ATOM 265 CA SER A 35 -3.088 37.623 16.857 1.00 0.00 ATOM 266 CB SER A 35 -4.102 37.649 18.023 1.00 0.00 ATOM 267 OG SER A 35 -5.186 38.511 17.745 1.00 0.00 ATOM 268 O SER A 35 -0.813 37.476 17.624 1.00 0.00 ATOM 269 C SER A 35 -1.832 36.865 17.285 1.00 0.00 ATOM 270 N ARG A 36 -1.919 35.538 17.278 1.00 0.00 ATOM 271 CA ARG A 36 -0.785 34.689 17.653 1.00 0.00 ATOM 272 CB ARG A 36 -1.384 33.228 17.808 1.00 0.00 ATOM 273 CG ARG A 36 -0.396 32.175 18.278 1.00 0.00 ATOM 274 CD ARG A 36 -1.102 30.840 18.438 1.00 0.00 ATOM 275 NE ARG A 36 -2.087 30.884 19.515 1.00 0.00 ATOM 276 CZ ARG A 36 -3.078 30.010 19.661 1.00 0.00 ATOM 277 NH1 ARG A 36 -3.227 29.018 18.791 1.00 0.00 ATOM 278 NH2 ARG A 36 -3.917 30.125 20.681 1.00 0.00 ATOM 279 O ARG A 36 1.548 34.773 17.074 1.00 0.00 ATOM 280 C ARG A 36 0.376 34.874 16.690 1.00 0.00 ATOM 281 N PHE A 37 0.051 35.137 15.430 1.00 0.00 ATOM 282 CA PHE A 37 1.074 35.358 14.414 1.00 0.00 ATOM 283 CB PHE A 37 0.520 35.047 13.023 1.00 0.00 ATOM 284 CG PHE A 37 0.154 33.603 12.825 1.00 0.00 ATOM 285 CD1 PHE A 37 0.641 32.627 13.677 1.00 0.00 ATOM 286 CD2 PHE A 37 -0.679 33.220 11.788 1.00 0.00 ATOM 287 CE1 PHE A 37 0.305 31.299 13.495 1.00 0.00 ATOM 288 CE2 PHE A 37 -1.016 31.892 11.607 1.00 0.00 ATOM 289 CZ PHE A 37 -0.527 30.934 12.455 1.00 0.00 ATOM 290 O PHE A 37 2.316 37.217 13.502 1.00 0.00 ATOM 291 C PHE A 37 1.561 36.816 14.396 1.00 0.00 ATOM 292 N ASN A 38 1.125 37.604 15.376 1.00 0.00 ATOM 293 CA ASN A 38 1.546 38.997 15.460 1.00 0.00 ATOM 294 CB ASN A 38 3.068 39.096 15.331 1.00 0.00 ATOM 295 CG ASN A 38 3.793 38.501 16.522 1.00 0.00 ATOM 296 ND2 ASN A 38 4.998 37.995 16.287 1.00 0.00 ATOM 297 OD1 ASN A 38 3.273 38.497 17.638 1.00 0.00 ATOM 298 O ASN A 38 1.560 41.034 14.177 1.00 0.00 ATOM 299 C ASN A 38 0.997 39.956 14.412 1.00 0.00 ATOM 300 N ARG A 39 -0.102 39.574 13.777 1.00 0.00 ATOM 301 CA ARG A 39 -0.730 40.405 12.758 1.00 0.00 ATOM 302 CB ARG A 39 -0.321 40.035 11.353 1.00 0.00 ATOM 303 CG ARG A 39 -0.639 41.120 10.309 1.00 0.00 ATOM 304 CD ARG A 39 -0.368 40.647 8.880 1.00 0.00 ATOM 305 NE ARG A 39 -1.281 39.549 8.499 1.00 0.00 ATOM 306 CZ ARG A 39 -2.561 39.685 8.071 1.00 0.00 ATOM 307 NH1 ARG A 39 -3.080 40.891 7.880 1.00 0.00 ATOM 308 NH2 ARG A 39 -3.300 38.614 7.804 1.00 0.00 ATOM 309 O ARG A 39 -3.012 41.027 13.238 1.00 0.00 ATOM 310 C ARG A 39 -1.812 41.238 13.445 1.00 0.00 ATOM 311 N LEU A 40 -1.374 42.200 14.255 1.00 0.00 ATOM 312 CA LEU A 40 -2.305 43.039 15.000 1.00 0.00 ATOM 313 CB LEU A 40 -1.529 43.935 15.967 1.00 0.00 ATOM 314 CG LEU A 40 -0.891 43.240 17.171 1.00 0.00 ATOM 315 CD1 LEU A 40 -0.006 44.208 17.943 1.00 0.00 ATOM 316 CD2 LEU A 40 -1.959 42.715 18.117 1.00 0.00 ATOM 317 O LEU A 40 -4.370 44.073 14.290 1.00 0.00 ATOM 318 C LEU A 40 -3.161 43.948 14.096 1.00 0.00 ATOM 319 N PHE A 41 -2.533 44.586 13.169 1.00 0.00 ATOM 320 CA PHE A 41 -3.253 45.472 12.257 1.00 0.00 ATOM 321 CB PHE A 41 -2.256 46.096 11.264 1.00 0.00 ATOM 322 CG PHE A 41 -2.900 46.936 10.187 1.00 0.00 ATOM 323 CD1 PHE A 41 -3.341 48.229 10.455 1.00 0.00 ATOM 324 CD2 PHE A 41 -3.036 46.438 8.897 1.00 0.00 ATOM 325 CE1 PHE A 41 -3.910 49.014 9.449 1.00 0.00 ATOM 326 CE2 PHE A 41 -3.605 47.214 7.883 1.00 0.00 ATOM 327 CZ PHE A 41 -4.042 48.505 8.159 1.00 0.00 ATOM 328 O PHE A 41 -5.417 45.169 11.266 1.00 0.00 ATOM 329 C PHE A 41 -4.302 44.672 11.494 1.00 0.00 ATOM 330 N GLY A 42 -3.959 43.446 11.087 1.00 0.00 ATOM 331 CA GLY A 42 -4.904 42.615 10.358 1.00 0.00 ATOM 332 O GLY A 42 -7.248 42.191 10.741 1.00 0.00 ATOM 333 C GLY A 42 -6.125 42.271 11.234 1.00 0.00 ATOM 334 N VAL A 43 -5.903 42.063 12.527 1.00 0.00 ATOM 335 CA VAL A 43 -7.003 41.767 13.436 1.00 0.00 ATOM 336 CB VAL A 43 -6.501 41.552 14.876 1.00 0.00 ATOM 337 CG1 VAL A 43 -7.675 41.458 15.841 1.00 0.00 ATOM 338 CG2 VAL A 43 -5.696 40.266 14.974 1.00 0.00 ATOM 339 O VAL A 43 -9.176 42.811 13.316 1.00 0.00 ATOM 340 C VAL A 43 -7.951 42.961 13.404 1.00 0.00 ATOM 341 N MET A 44 -7.334 44.149 13.478 1.00 0.00 ATOM 342 CA MET A 44 -8.114 45.374 13.447 1.00 0.00 ATOM 343 CB MET A 44 -7.195 46.596 13.500 1.00 0.00 ATOM 344 CG MET A 44 -7.928 47.927 13.450 1.00 0.00 ATOM 345 SD MET A 44 -6.807 49.339 13.446 1.00 0.00 ATOM 346 CE MET A 44 -6.137 49.233 11.789 1.00 0.00 ATOM 347 O MET A 44 -10.169 45.741 12.209 1.00 0.00 ATOM 348 C MET A 44 -8.960 45.474 12.164 1.00 0.00 ATOM 349 N ALA A 45 -8.326 45.247 11.019 1.00 0.00 ATOM 350 CA ALA A 45 -9.003 45.301 9.725 1.00 0.00 ATOM 351 CB ALA A 45 -8.005 45.096 8.595 1.00 0.00 ATOM 352 O ALA A 45 -11.163 44.517 9.007 1.00 0.00 ATOM 353 C ALA A 45 -10.097 44.238 9.560 1.00 0.00 ATOM 354 N GLU A 46 -9.830 43.032 10.041 1.00 0.00 ATOM 355 CA GLU A 46 -10.796 41.939 9.935 1.00 0.00 ATOM 356 CB GLU A 46 -10.168 40.613 10.369 1.00 0.00 ATOM 357 CG GLU A 46 -9.094 40.096 9.426 1.00 0.00 ATOM 358 CD GLU A 46 -9.608 39.890 8.014 1.00 0.00 ATOM 359 OE1 GLU A 46 -10.637 39.202 7.851 1.00 0.00 ATOM 360 OE2 GLU A 46 -8.980 40.416 7.070 1.00 0.00 ATOM 361 O GLU A 46 -13.161 41.981 10.294 1.00 0.00 ATOM 362 C GLU A 46 -12.047 42.211 10.763 1.00 0.00 ATOM 363 N ILE A 47 -11.870 42.764 11.975 1.00 0.00 ATOM 364 CA ILE A 47 -13.022 43.025 12.837 1.00 0.00 ATOM 365 CB ILE A 47 -12.562 43.197 14.297 1.00 0.00 ATOM 366 CG1 ILE A 47 -11.958 41.893 14.823 1.00 0.00 ATOM 367 CG2 ILE A 47 -13.737 43.577 15.185 1.00 0.00 ATOM 368 CD1 ILE A 47 -11.229 42.045 16.139 1.00 0.00 ATOM 369 O ILE A 47 -15.108 44.216 12.721 1.00 0.00 ATOM 370 C ILE A 47 -13.909 44.209 12.436 1.00 0.00 ATOM 371 N ALA A 48 -13.323 45.197 11.766 1.00 0.00 ATOM 372 CA ALA A 48 -14.047 46.402 11.365 1.00 0.00 ATOM 373 CB ALA A 48 -13.114 47.239 10.437 1.00 0.00 ATOM 374 O ALA A 48 -16.362 46.760 10.929 1.00 0.00 ATOM 375 C ALA A 48 -15.332 46.130 10.639 1.00 0.00 ATOM 376 N ASP A 49 -15.294 45.252 9.673 1.00 0.00 ATOM 377 CA ASP A 49 -16.496 44.918 8.902 1.00 0.00 ATOM 378 CB ASP A 49 -16.171 43.880 7.826 1.00 0.00 ATOM 379 CG ASP A 49 -15.365 44.462 6.681 1.00 0.00 ATOM 380 OD1 ASP A 49 -15.260 45.704 6.598 1.00 0.00 ATOM 381 OD2 ASP A 49 -14.838 43.675 5.866 1.00 0.00 ATOM 382 O ASP A 49 -18.730 44.690 9.717 1.00 0.00 ATOM 383 C ASP A 49 -17.558 44.349 9.837 1.00 0.00 ATOM 384 N GLU A 50 -17.150 43.513 10.792 1.00 0.00 ATOM 385 CA GLU A 50 -18.148 42.965 11.697 1.00 0.00 ATOM 386 CB GLU A 50 -17.547 42.132 12.774 1.00 0.00 ATOM 387 CG GLU A 50 -16.726 40.938 12.245 1.00 0.00 ATOM 388 CD GLU A 50 -17.434 39.583 12.437 1.00 0.00 ATOM 389 OE1 GLU A 50 -18.656 39.559 12.659 1.00 0.00 ATOM 390 OE2 GLU A 50 -16.749 38.549 12.340 1.00 0.00 ATOM 391 O GLU A 50 -19.921 44.088 12.834 1.00 0.00 ATOM 392 C GLU A 50 -18.730 44.078 12.571 1.00 0.00 ATOM 393 N LEU A 51 -17.917 44.988 13.076 1.00 0.00 ATOM 394 CA LEU A 51 -18.427 46.074 13.902 1.00 0.00 ATOM 395 CB LEU A 51 -17.288 46.998 14.340 1.00 0.00 ATOM 396 CG LEU A 51 -17.673 48.164 15.251 1.00 0.00 ATOM 397 CD1 LEU A 51 -18.263 47.654 16.557 1.00 0.00 ATOM 398 CD2 LEU A 51 -16.455 49.013 15.580 1.00 0.00 ATOM 399 O LEU A 51 -20.485 47.318 13.683 1.00 0.00 ATOM 400 C LEU A 51 -19.461 46.896 13.128 1.00 0.00 ATOM 401 N LYS A 52 -19.196 47.120 11.846 1.00 0.00 ATOM 402 CA LYS A 52 -20.113 47.906 11.019 1.00 0.00 ATOM 403 CB LYS A 52 -19.559 48.057 9.602 1.00 0.00 ATOM 404 CG LYS A 52 -18.341 48.961 9.503 1.00 0.00 ATOM 405 CD LYS A 52 -17.841 49.060 8.071 1.00 0.00 ATOM 406 CE LYS A 52 -16.620 49.960 7.975 1.00 0.00 ATOM 407 NZ LYS A 52 -16.099 50.042 6.583 1.00 0.00 ATOM 408 O LYS A 52 -22.486 48.020 10.724 1.00 0.00 ATOM 409 C LYS A 52 -21.501 47.297 10.880 1.00 0.00 ATOM 410 N ALA A 53 -21.573 45.974 10.922 1.00 0.00 ATOM 411 CA ALA A 53 -22.843 45.262 10.777 1.00 0.00 ATOM 412 CB ALA A 53 -22.642 43.972 9.998 1.00 0.00 ATOM 413 O ALA A 53 -24.632 44.476 12.173 1.00 0.00 ATOM 414 C ALA A 53 -23.470 44.889 12.115 1.00 0.00 ATOM 415 N ARG A 54 -22.701 45.049 13.187 1.00 0.00 ATOM 416 CA ARG A 54 -23.159 44.672 14.523 1.00 0.00 ATOM 417 CB ARG A 54 -21.965 44.419 15.447 1.00 0.00 ATOM 418 CG ARG A 54 -21.067 43.277 15.002 1.00 0.00 ATOM 419 CD ARG A 54 -21.670 41.929 15.362 1.00 0.00 ATOM 420 NE ARG A 54 -20.769 40.824 15.039 1.00 0.00 ATOM 421 CZ ARG A 54 -21.016 39.550 15.330 1.00 0.00 ATOM 422 NH1 ARG A 54 -20.139 38.613 14.998 1.00 0.00 ATOM 423 NH2 ARG A 54 -22.138 39.218 15.955 1.00 0.00 ATOM 424 O ARG A 54 -24.096 46.855 14.915 1.00 0.00 ATOM 425 C ARG A 54 -24.031 45.674 15.256 1.00 0.00 ATOM 426 N ASP A 55 -24.706 45.172 16.283 1.00 0.00 ATOM 427 CA ASP A 55 -25.594 46.001 17.082 1.00 0.00 ATOM 428 CB ASP A 55 -27.056 45.731 16.792 1.00 0.00 ATOM 429 CG ASP A 55 -27.454 44.273 16.897 1.00 0.00 ATOM 430 OD1 ASP A 55 -26.831 43.459 16.182 1.00 0.00 ATOM 431 OD2 ASP A 55 -28.384 43.860 17.637 1.00 0.00 ATOM 432 O ASP A 55 -25.078 44.608 18.992 1.00 0.00 ATOM 433 C ASP A 55 -25.564 45.659 18.573 1.00 0.00 ATOM 434 N GLY A 56 -25.902 46.670 19.426 1.00 0.00 ATOM 435 CA GLY A 56 -25.941 46.396 20.837 1.00 0.00 ATOM 436 O GLY A 56 -23.630 46.421 21.299 1.00 0.00 ATOM 437 C GLY A 56 -24.701 45.898 21.513 1.00 0.00 ATOM 438 N ASP A 57 -24.902 44.810 22.405 1.00 0.00 ATOM 439 CA ASP A 57 -23.795 44.240 23.159 1.00 0.00 ATOM 440 CB ASP A 57 -24.271 43.074 24.028 1.00 0.00 ATOM 441 CG ASP A 57 -25.081 43.530 25.225 1.00 0.00 ATOM 442 OD1 ASP A 57 -25.077 44.744 25.517 1.00 0.00 ATOM 443 OD2 ASP A 57 -25.719 42.673 25.871 1.00 0.00 ATOM 444 O ASP A 57 -21.494 43.848 22.623 1.00 0.00 ATOM 445 C ASP A 57 -22.670 43.699 22.290 1.00 0.00 ATOM 446 N GLN A 58 -23.046 43.024 21.209 1.00 0.00 ATOM 447 CA GLN A 58 -22.081 42.470 20.271 1.00 0.00 ATOM 448 CB GLN A 58 -22.796 41.697 19.161 1.00 0.00 ATOM 449 CG GLN A 58 -23.424 40.391 19.620 1.00 0.00 ATOM 450 CD GLN A 58 -24.219 39.710 18.523 1.00 0.00 ATOM 451 OE1 GLN A 58 -24.381 40.255 17.431 1.00 0.00 ATOM 452 NE2 GLN A 58 -24.718 38.514 18.811 1.00 0.00 ATOM 453 O GLN A 58 -20.028 43.482 19.532 1.00 0.00 ATOM 454 C GLN A 58 -21.252 43.590 19.639 1.00 0.00 ATOM 455 N ARG A 59 -21.933 44.667 19.248 1.00 0.00 ATOM 456 CA ARG A 59 -21.240 45.799 18.642 1.00 0.00 ATOM 457 CB ARG A 59 -22.244 46.858 18.184 1.00 0.00 ATOM 458 CG ARG A 59 -21.615 48.043 17.469 1.00 0.00 ATOM 459 CD ARG A 59 -22.675 48.992 16.936 1.00 0.00 ATOM 460 NE ARG A 59 -22.086 50.138 16.244 1.00 0.00 ATOM 461 CZ ARG A 59 -22.787 51.148 15.741 1.00 0.00 ATOM 462 NH1 ARG A 59 -22.165 52.146 15.129 1.00 0.00 ATOM 463 NH2 ARG A 59 -24.109 51.156 15.850 1.00 0.00 ATOM 464 O ARG A 59 -19.106 46.719 19.313 1.00 0.00 ATOM 465 C ARG A 59 -20.258 46.411 19.651 1.00 0.00 ATOM 466 N THR A 60 -20.692 46.556 20.944 1.00 0.00 ATOM 467 CA THR A 60 -19.862 47.112 22.005 1.00 0.00 ATOM 468 CB THR A 60 -20.635 47.188 23.336 1.00 0.00 ATOM 469 CG2 THR A 60 -19.750 47.756 24.433 1.00 0.00 ATOM 470 OG1 THR A 60 -21.779 48.036 23.178 1.00 0.00 ATOM 471 O THR A 60 -17.506 46.787 22.247 1.00 0.00 ATOM 472 C THR A 60 -18.620 46.262 22.232 1.00 0.00 ATOM 473 N ALA A 61 -18.806 44.955 22.411 1.00 0.00 ATOM 474 CA ALA A 61 -17.657 44.078 22.685 1.00 0.00 ATOM 475 CB ALA A 61 -18.124 42.652 22.932 1.00 0.00 ATOM 476 O ALA A 61 -15.475 44.053 21.733 1.00 0.00 ATOM 477 C ALA A 61 -16.679 44.057 21.511 1.00 0.00 ATOM 478 N LEU A 62 -17.182 44.075 20.275 1.00 0.00 ATOM 479 CA LEU A 62 -16.316 44.013 19.086 1.00 0.00 ATOM 480 CB LEU A 62 -17.173 43.798 17.834 1.00 0.00 ATOM 481 CG LEU A 62 -17.532 42.343 17.546 1.00 0.00 ATOM 482 CD1 LEU A 62 -18.683 42.262 16.545 1.00 0.00 ATOM 483 CD2 LEU A 62 -16.294 41.586 17.082 1.00 0.00 ATOM 484 O LEU A 62 -14.322 45.255 18.600 1.00 0.00 ATOM 485 C LEU A 62 -15.503 45.298 18.949 1.00 0.00 ATOM 486 N LEU A 63 -16.131 46.443 19.225 1.00 0.00 ATOM 487 CA LEU A 63 -15.424 47.715 19.139 1.00 0.00 ATOM 488 CB LEU A 63 -16.503 48.859 19.230 1.00 0.00 ATOM 489 CG LEU A 63 -15.898 50.260 19.286 1.00 0.00 ATOM 490 CD1 LEU A 63 -15.104 50.601 18.033 1.00 0.00 ATOM 491 CD2 LEU A 63 -16.996 51.252 19.495 1.00 0.00 ATOM 492 O LEU A 63 -13.240 48.388 19.901 1.00 0.00 ATOM 493 C LEU A 63 -14.299 47.813 20.151 1.00 0.00 ATOM 494 N SER A 64 -14.533 47.236 21.357 1.00 0.00 ATOM 495 CA SER A 64 -13.535 47.226 22.411 1.00 0.00 ATOM 496 CB SER A 64 -14.087 46.588 23.688 1.00 0.00 ATOM 497 OG SER A 64 -15.137 47.367 24.234 1.00 0.00 ATOM 498 O SER A 64 -11.177 46.956 22.079 1.00 0.00 ATOM 499 C SER A 64 -12.294 46.456 21.965 1.00 0.00 ATOM 500 N LEU A 65 -12.488 45.250 21.428 1.00 0.00 ATOM 501 CA LEU A 65 -11.360 44.445 20.976 1.00 0.00 ATOM 502 CB LEU A 65 -11.857 43.089 20.470 1.00 0.00 ATOM 503 CG LEU A 65 -12.406 42.131 21.528 1.00 0.00 ATOM 504 CD1 LEU A 65 -13.028 40.906 20.874 1.00 0.00 ATOM 505 CD2 LEU A 65 -11.297 41.662 22.456 1.00 0.00 ATOM 506 O LEU A 65 -9.419 45.158 19.761 1.00 0.00 ATOM 507 C LEU A 65 -10.645 45.159 19.835 1.00 0.00 ATOM 508 N PHE A 66 -11.422 45.800 18.941 1.00 0.00 ATOM 509 CA PHE A 66 -10.840 46.537 17.828 1.00 0.00 ATOM 510 CB PHE A 66 -11.956 47.657 17.371 1.00 0.00 ATOM 511 CG PHE A 66 -12.076 48.013 15.918 1.00 0.00 ATOM 512 CD1 PHE A 66 -12.947 47.309 15.089 1.00 0.00 ATOM 513 CD2 PHE A 66 -11.265 48.992 15.360 1.00 0.00 ATOM 514 CE1 PHE A 66 -13.007 47.577 13.718 1.00 0.00 ATOM 515 CE2 PHE A 66 -11.312 49.269 13.992 1.00 0.00 ATOM 516 CZ PHE A 66 -12.187 48.557 13.168 1.00 0.00 ATOM 517 O PHE A 66 -8.862 47.919 17.839 1.00 0.00 ATOM 518 C PHE A 66 -9.950 47.672 18.366 1.00 0.00 ATOM 519 N GLU A 67 -10.389 48.433 19.478 1.00 0.00 ATOM 520 CA GLU A 67 -9.653 49.532 20.071 1.00 0.00 ATOM 521 CB GLU A 67 -8.149 49.341 19.867 1.00 0.00 ATOM 522 CG GLU A 67 -7.573 48.132 20.584 1.00 0.00 ATOM 523 CD GLU A 67 -7.768 48.197 22.086 1.00 0.00 ATOM 524 OE1 GLU A 67 -7.440 49.246 22.683 1.00 0.00 ATOM 525 OE2 GLU A 67 -8.250 47.203 22.667 1.00 0.00 ATOM 526 O GLU A 67 -9.865 50.993 18.194 1.00 0.00 ATOM 527 C GLU A 67 -10.100 50.814 19.400 1.00 0.00 ATOM 528 N TYR A 68 -10.801 51.692 20.136 1.00 0.00 ATOM 529 CA TYR A 68 -11.192 52.991 19.537 1.00 0.00 ATOM 530 CB TYR A 68 -11.926 53.855 20.564 1.00 0.00 ATOM 531 CG TYR A 68 -12.393 55.188 20.021 1.00 0.00 ATOM 532 CD1 TYR A 68 -13.502 55.266 19.189 1.00 0.00 ATOM 533 CD2 TYR A 68 -11.725 56.360 20.344 1.00 0.00 ATOM 534 CE1 TYR A 68 -13.937 56.479 18.689 1.00 0.00 ATOM 535 CE2 TYR A 68 -12.146 57.581 19.854 1.00 0.00 ATOM 536 CZ TYR A 68 -13.261 57.633 19.019 1.00 0.00 ATOM 537 OH TYR A 68 -13.692 58.842 18.522 1.00 0.00 ATOM 538 O TYR A 68 -10.006 54.220 17.838 1.00 0.00 ATOM 539 C TYR A 68 -9.937 53.693 18.949 1.00 0.00 ATOM 540 N PRO A 69 -8.822 53.707 19.676 1.00 0.00 ATOM 541 CA PRO A 69 -7.657 54.413 19.117 1.00 0.00 ATOM 542 CB PRO A 69 -6.597 54.250 20.212 1.00 0.00 ATOM 543 CG PRO A 69 -7.407 54.149 21.465 1.00 0.00 ATOM 544 CD PRO A 69 -8.591 53.284 21.067 1.00 0.00 ATOM 545 O PRO A 69 -6.889 54.599 16.849 1.00 0.00 ATOM 546 C PRO A 69 -7.209 53.845 17.767 1.00 0.00 ATOM 547 N ASN A 70 -7.232 52.585 17.651 1.00 0.00 ATOM 548 CA ASN A 70 -6.801 51.983 16.393 1.00 0.00 ATOM 549 CB ASN A 70 -6.578 50.471 16.463 1.00 0.00 ATOM 550 CG ASN A 70 -5.425 50.093 17.374 1.00 0.00 ATOM 551 ND2 ASN A 70 -5.429 48.852 17.845 1.00 0.00 ATOM 552 OD1 ASN A 70 -4.545 50.909 17.646 1.00 0.00 ATOM 553 O ASN A 70 -7.323 52.657 14.141 1.00 0.00 ATOM 554 C ASN A 70 -7.750 52.272 15.227 1.00 0.00 ATOM 555 N MET A 71 -9.041 52.163 15.468 1.00 0.00 ATOM 556 CA MET A 71 -10.024 52.447 14.418 1.00 0.00 ATOM 557 CB MET A 71 -11.440 52.155 14.917 1.00 0.00 ATOM 558 CG MET A 71 -12.526 52.392 13.880 1.00 0.00 ATOM 559 SD MET A 71 -14.179 52.051 14.512 1.00 0.00 ATOM 560 CE MET A 71 -14.427 53.459 15.592 1.00 0.00 ATOM 561 O MET A 71 -9.994 54.198 12.788 1.00 0.00 ATOM 562 C MET A 71 -9.960 53.899 13.975 1.00 0.00 ATOM 563 N GLN A 72 -9.915 54.791 14.957 1.00 0.00 ATOM 564 CA GLN A 72 -9.882 56.245 14.787 1.00 0.00 ATOM 565 CB GLN A 72 -9.919 56.944 16.147 1.00 0.00 ATOM 566 CG GLN A 72 -10.020 58.458 16.064 1.00 0.00 ATOM 567 CD GLN A 72 -11.302 58.920 15.399 1.00 0.00 ATOM 568 OE1 GLN A 72 -12.384 58.419 15.699 1.00 0.00 ATOM 569 NE2 GLN A 72 -11.181 59.881 14.488 1.00 0.00 ATOM 570 O GLN A 72 -8.676 57.512 13.157 1.00 0.00 ATOM 571 C GLN A 72 -8.619 56.685 14.058 1.00 0.00 ATOM 572 N VAL A 73 -7.487 56.107 14.452 1.00 0.00 ATOM 573 CA VAL A 73 -6.223 56.276 13.756 1.00 0.00 ATOM 574 CB VAL A 73 -5.112 55.418 14.388 1.00 0.00 ATOM 575 CG1 VAL A 73 -3.851 55.471 13.541 1.00 0.00 ATOM 576 CG2 VAL A 73 -4.776 55.925 15.782 1.00 0.00 ATOM 577 O VAL A 73 -5.780 56.497 11.370 1.00 0.00 ATOM 578 C VAL A 73 -6.282 55.815 12.308 1.00 0.00 ATOM 579 N ARG A 74 -6.876 54.655 11.995 1.00 0.00 ATOM 580 CA ARG A 74 -6.971 54.154 10.615 1.00 0.00 ATOM 581 CB ARG A 74 -7.762 52.843 10.584 1.00 0.00 ATOM 582 CG ARG A 74 -7.882 52.224 9.202 1.00 0.00 ATOM 583 CD ARG A 74 -8.784 51.000 9.221 1.00 0.00 ATOM 584 NE ARG A 74 -10.170 51.348 9.522 1.00 0.00 ATOM 585 CZ ARG A 74 -11.017 51.873 8.642 1.00 0.00 ATOM 586 NH1 ARG A 74 -12.260 52.157 9.005 1.00 0.00 ATOM 587 NH2 ARG A 74 -10.619 52.111 7.399 1.00 0.00 ATOM 588 O ARG A 74 -7.309 55.460 8.624 1.00 0.00 ATOM 589 C ARG A 74 -7.740 55.141 9.734 1.00 0.00 ATOM 590 N LEU A 75 -8.882 55.684 10.237 1.00 0.00 ATOM 591 CA LEU A 75 -9.683 56.634 9.471 1.00 0.00 ATOM 592 CB LEU A 75 -10.953 56.919 10.316 1.00 0.00 ATOM 593 CG LEU A 75 -11.854 58.037 9.804 1.00 0.00 ATOM 594 CD1 LEU A 75 -12.299 57.744 8.381 1.00 0.00 ATOM 595 CD2 LEU A 75 -13.047 58.177 10.733 1.00 0.00 ATOM 596 O LEU A 75 -8.987 58.480 8.094 1.00 0.00 ATOM 597 C LEU A 75 -8.927 57.928 9.192 1.00 0.00 ATOM 598 N GLN A 76 -8.223 58.391 10.195 1.00 0.00 ATOM 599 CA GLN A 76 -7.472 59.626 10.075 1.00 0.00 ATOM 600 CB GLN A 76 -6.951 60.057 11.463 1.00 0.00 ATOM 601 CG GLN A 76 -7.905 60.936 12.247 1.00 0.00 ATOM 602 CD GLN A 76 -7.598 60.993 13.734 1.00 0.00 ATOM 603 OE1 GLN A 76 -8.404 61.512 14.509 1.00 0.00 ATOM 604 NE2 GLN A 76 -6.444 60.467 14.138 1.00 0.00 ATOM 605 O GLN A 76 -6.119 60.330 8.210 1.00 0.00 ATOM 606 C GLN A 76 -6.365 59.453 9.061 1.00 0.00 ATOM 607 N ALA A 77 -5.616 58.339 9.116 1.00 0.00 ATOM 608 CA ALA A 77 -4.568 58.098 8.178 1.00 0.00 ATOM 609 CB ALA A 77 -3.841 56.804 8.511 1.00 0.00 ATOM 610 O ALA A 77 -4.489 58.521 5.799 1.00 0.00 ATOM 611 C ALA A 77 -5.101 57.986 6.741 1.00 0.00 ATOM 612 N ALA A 78 -6.254 57.357 6.578 1.00 0.00 ATOM 613 CA ALA A 78 -6.821 57.207 5.231 1.00 0.00 ATOM 614 CB ALA A 78 -7.998 56.243 5.256 1.00 0.00 ATOM 615 O ALA A 78 -6.977 58.879 3.515 1.00 0.00 ATOM 616 C ALA A 78 -7.256 58.558 4.672 1.00 0.00 ATOM 617 N LYS A 79 -7.932 59.358 5.491 1.00 0.00 ATOM 618 CA LYS A 79 -8.408 60.676 5.069 1.00 0.00 ATOM 619 CB LYS A 79 -9.131 61.408 6.201 1.00 0.00 ATOM 620 CG LYS A 79 -9.719 62.750 5.796 1.00 0.00 ATOM 621 CD LYS A 79 -10.482 63.388 6.946 1.00 0.00 ATOM 622 CE LYS A 79 -11.028 64.752 6.557 1.00 0.00 ATOM 623 NZ LYS A 79 -11.758 65.400 7.681 1.00 0.00 ATOM 624 O LYS A 79 -7.315 62.154 3.554 1.00 0.00 ATOM 625 C LYS A 79 -7.263 61.556 4.621 1.00 0.00 ATOM 626 N LEU A 80 -6.214 61.626 5.436 1.00 0.00 ATOM 627 CA LEU A 80 -5.064 62.463 5.127 1.00 0.00 ATOM 628 CB LEU A 80 -4.064 62.465 6.285 1.00 0.00 ATOM 629 CG LEU A 80 -2.844 63.373 6.126 1.00 0.00 ATOM 630 CD1 LEU A 80 -3.268 64.830 6.006 1.00 0.00 ATOM 631 CD2 LEU A 80 -1.917 63.246 7.327 1.00 0.00 ATOM 632 O LEU A 80 -4.067 62.814 2.988 1.00 0.00 ATOM 633 C LEU A 80 -4.330 62.007 3.875 1.00 0.00 ATOM 634 N THR A 81 -4.013 60.729 3.802 1.00 0.00 ATOM 635 CA THR A 81 -3.294 60.228 2.639 1.00 0.00 ATOM 636 CB THR A 81 -2.907 58.752 2.849 1.00 0.00 ATOM 637 CG2 THR A 81 -2.193 58.209 1.621 1.00 0.00 ATOM 638 OG1 THR A 81 -2.036 58.640 3.980 1.00 0.00 ATOM 639 O THR A 81 -3.521 60.525 0.322 1.00 0.00 ATOM 640 C THR A 81 -4.094 60.286 1.366 1.00 0.00 ATOM 641 N LEU A 82 -5.391 60.053 1.419 1.00 0.00 ATOM 642 CA LEU A 82 -6.207 59.996 0.231 1.00 0.00 ATOM 643 CB LEU A 82 -7.652 59.640 0.590 1.00 0.00 ATOM 644 CG LEU A 82 -8.633 59.527 -0.578 1.00 0.00 ATOM 645 CD1 LEU A 82 -8.204 58.427 -1.537 1.00 0.00 ATOM 646 CD2 LEU A 82 -10.032 59.202 -0.077 1.00 0.00 ATOM 647 O LEU A 82 -6.162 61.458 -1.669 1.00 0.00 ATOM 648 C LEU A 82 -6.172 61.371 -0.448 1.00 0.00 ATOM 649 N ALA A 83 -6.254 62.446 0.349 1.00 0.00 ATOM 650 CA ALA A 83 -6.230 63.799 -0.208 1.00 0.00 ATOM 651 CB ALA A 83 -6.248 64.837 0.866 1.00 0.00 ATOM 652 O ALA A 83 -5.020 64.453 -2.169 1.00 0.00 ATOM 653 C ALA A 83 -4.966 63.965 -1.049 1.00 0.00 ATOM 654 N VAL A 84 -3.850 63.457 -0.543 1.00 0.00 ATOM 655 CA VAL A 84 -2.577 63.543 -1.266 1.00 0.00 ATOM 656 CB VAL A 84 -1.412 63.262 -0.298 1.00 0.00 ATOM 657 CG1 VAL A 84 -0.090 63.230 -1.051 1.00 0.00 ATOM 658 CG2 VAL A 84 -1.333 64.344 0.768 1.00 0.00 ATOM 659 O VAL A 84 -1.719 62.926 -3.428 1.00 0.00 ATOM 660 C VAL A 84 -2.439 62.619 -2.480 1.00 0.00 ATOM 661 N ALA A 85 -3.099 61.492 -2.474 1.00 0.00 ATOM 662 CA ALA A 85 -3.049 60.528 -3.569 1.00 0.00 ATOM 663 CB ALA A 85 -3.680 59.208 -3.157 1.00 0.00 ATOM 664 O ALA A 85 -4.741 61.739 -4.783 1.00 0.00 ATOM 665 C ALA A 85 -3.727 61.028 -4.838 1.00 0.00 ATOM 666 N PRO A 86 -3.260 60.556 -6.029 1.00 0.00 ATOM 667 CA PRO A 86 -3.976 60.922 -7.264 1.00 0.00 ATOM 668 CB PRO A 86 -3.132 60.283 -8.356 1.00 0.00 ATOM 669 CG PRO A 86 -2.260 59.295 -7.695 1.00 0.00 ATOM 670 CD PRO A 86 -2.124 59.689 -6.260 1.00 0.00 ATOM 671 O PRO A 86 -5.689 59.352 -6.589 1.00 0.00 ATOM 672 C PRO A 86 -5.404 60.302 -7.328 1.00 0.00 ATOM 673 N VAL A 87 -6.314 60.925 -8.090 1.00 0.00 ATOM 674 CA VAL A 87 -7.734 60.548 -8.109 1.00 0.00 ATOM 675 CB VAL A 87 -8.543 61.443 -9.066 1.00 0.00 ATOM 676 CG1 VAL A 87 -9.960 60.912 -9.222 1.00 0.00 ATOM 677 CG2 VAL A 87 -8.618 62.864 -8.530 1.00 0.00 ATOM 678 O VAL A 87 -8.836 58.427 -8.109 1.00 0.00 ATOM 679 C VAL A 87 -7.941 59.094 -8.577 1.00 0.00 ATOM 680 N LYS A 88 -7.097 58.636 -9.495 1.00 0.00 ATOM 681 CA LYS A 88 -7.069 57.211 -9.901 1.00 0.00 ATOM 682 CB LYS A 88 -5.983 56.977 -10.953 1.00 0.00 ATOM 683 CG LYS A 88 -6.293 57.582 -12.311 1.00 0.00 ATOM 684 CD LYS A 88 -5.175 57.310 -13.305 1.00 0.00 ATOM 685 CE LYS A 88 -5.475 57.938 -14.657 1.00 0.00 ATOM 686 NZ LYS A 88 -4.373 57.706 -15.632 1.00 0.00 ATOM 687 O LYS A 88 -7.457 55.203 -8.667 1.00 0.00 ATOM 688 C LYS A 88 -6.814 56.272 -8.741 1.00 0.00 ATOM 689 N ALA A 89 -5.923 56.643 -7.827 1.00 0.00 ATOM 690 CA ALA A 89 -5.726 55.835 -6.617 1.00 0.00 ATOM 691 CB ALA A 89 -4.582 56.366 -5.767 1.00 0.00 ATOM 692 O ALA A 89 -7.355 54.731 -5.255 1.00 0.00 ATOM 693 C ALA A 89 -6.999 55.769 -5.814 1.00 0.00 ATOM 694 N ARG A 90 -7.701 56.896 -5.698 1.00 0.00 ATOM 695 CA ARG A 90 -8.975 56.934 -4.994 1.00 0.00 ATOM 696 CB ARG A 90 -9.526 58.347 -4.894 1.00 0.00 ATOM 697 CG ARG A 90 -8.653 59.390 -4.192 1.00 0.00 ATOM 698 CD ARG A 90 -9.279 60.783 -4.275 1.00 0.00 ATOM 699 NE ARG A 90 -8.564 61.670 -3.329 1.00 0.00 ATOM 700 CZ ARG A 90 -8.798 62.987 -3.271 1.00 0.00 ATOM 701 NH1 ARG A 90 -9.708 63.591 -4.029 1.00 0.00 ATOM 702 NH2 ARG A 90 -8.090 63.694 -2.389 1.00 0.00 ATOM 703 O ARG A 90 -10.668 55.251 -5.003 1.00 0.00 ATOM 704 C ARG A 90 -9.925 55.948 -5.677 1.00 0.00 ATOM 705 N GLU A 91 -9.884 55.906 -6.999 1.00 0.00 ATOM 706 CA GLU A 91 -10.739 55.004 -7.734 1.00 0.00 ATOM 707 CB GLU A 91 -10.521 55.195 -9.236 1.00 0.00 ATOM 708 CG GLU A 91 -11.357 54.270 -10.106 1.00 0.00 ATOM 709 CD GLU A 91 -11.140 54.511 -11.587 1.00 0.00 ATOM 710 OE1 GLU A 91 -10.347 55.412 -11.932 1.00 0.00 ATOM 711 OE2 GLU A 91 -11.765 53.800 -12.402 1.00 0.00 ATOM 712 O GLU A 91 -11.312 52.731 -7.161 1.00 0.00 ATOM 713 C GLU A 91 -10.413 53.545 -7.381 1.00 0.00 ATOM 714 N GLN A 92 -9.117 53.226 -7.360 1.00 0.00 ATOM 715 CA GLN A 92 -8.661 51.879 -7.035 1.00 0.00 ATOM 716 CB GLN A 92 -7.134 51.776 -7.035 1.00 0.00 ATOM 717 CG GLN A 92 -6.606 50.400 -6.667 1.00 0.00 ATOM 718 CD GLN A 92 -5.092 50.331 -6.698 1.00 0.00 ATOM 719 OE1 GLN A 92 -4.419 51.337 -6.916 1.00 0.00 ATOM 720 NE2 GLN A 92 -4.551 49.137 -6.480 1.00 0.00 ATOM 721 O GLN A 92 -9.560 50.354 -5.422 1.00 0.00 ATOM 722 C GLN A 92 -9.114 51.471 -5.629 1.00 0.00 ATOM 723 N LEU A 93 -8.952 52.361 -4.665 1.00 0.00 ATOM 724 CA LEU A 93 -9.347 52.063 -3.291 1.00 0.00 ATOM 725 CB LEU A 93 -8.986 53.157 -2.330 1.00 0.00 ATOM 726 CG LEU A 93 -7.522 53.605 -2.415 1.00 0.00 ATOM 727 CD1 LEU A 93 -7.302 54.621 -1.350 1.00 0.00 ATOM 728 CD2 LEU A 93 -6.566 52.408 -2.284 1.00 0.00 ATOM 729 O LEU A 93 -11.314 50.879 -2.532 1.00 0.00 ATOM 730 C LEU A 93 -10.862 51.793 -3.235 1.00 0.00 ATOM 731 N GLU A 94 -11.642 52.604 -3.948 1.00 0.00 ATOM 732 CA GLU A 94 -13.090 52.439 -3.890 1.00 0.00 ATOM 733 CB GLU A 94 -13.785 53.604 -4.614 1.00 0.00 ATOM 734 CG GLU A 94 -13.508 54.975 -4.039 1.00 0.00 ATOM 735 CD GLU A 94 -14.170 56.081 -4.846 1.00 0.00 ATOM 736 OE1 GLU A 94 -13.906 56.175 -6.065 1.00 0.00 ATOM 737 OE2 GLU A 94 -14.954 56.859 -4.263 1.00 0.00 ATOM 738 O GLU A 94 -14.367 50.403 -3.976 1.00 0.00 ATOM 739 C GLU A 94 -13.473 51.078 -4.496 1.00 0.00 ATOM 740 N ALA A 95 -12.748 50.618 -5.516 1.00 0.00 ATOM 741 CA ALA A 95 -13.042 49.275 -6.075 1.00 0.00 ATOM 742 CB ALA A 95 -12.227 49.132 -7.362 1.00 0.00 ATOM 743 O ALA A 95 -13.465 47.178 -4.967 1.00 0.00 ATOM 744 C ALA A 95 -12.727 48.161 -5.072 1.00 0.00 ATOM 745 N ILE A 96 -11.609 48.298 -4.371 1.00 0.00 ATOM 746 CA ILE A 96 -11.217 47.300 -3.385 1.00 0.00 ATOM 747 CB ILE A 96 -9.815 47.643 -2.811 1.00 0.00 ATOM 748 CG1 ILE A 96 -8.750 47.343 -3.868 1.00 0.00 ATOM 749 CG2 ILE A 96 -9.548 46.846 -1.542 1.00 0.00 ATOM 750 CD1 ILE A 96 -7.367 47.840 -3.504 1.00 0.00 ATOM 751 O ILE A 96 -12.639 46.131 -1.841 1.00 0.00 ATOM 752 C ILE A 96 -12.275 47.220 -2.278 1.00 0.00 ATOM 753 N VAL A 97 -12.725 48.379 -1.817 1.00 0.00 ATOM 754 CA VAL A 97 -13.736 48.428 -0.765 1.00 0.00 ATOM 755 CB VAL A 97 -14.052 49.864 -0.305 1.00 0.00 ATOM 756 CG1 VAL A 97 -15.195 49.863 0.698 1.00 0.00 ATOM 757 CG2 VAL A 97 -12.834 50.494 0.354 1.00 0.00 ATOM 758 O VAL A 97 -15.572 46.902 -0.537 1.00 0.00 ATOM 759 C VAL A 97 -15.034 47.775 -1.231 1.00 0.00 ATOM 760 N SER A 98 -15.529 48.162 -2.406 1.00 0.00 ATOM 761 CA SER A 98 -16.798 47.577 -2.864 1.00 0.00 ATOM 762 CB SER A 98 -17.198 48.206 -4.199 1.00 0.00 ATOM 763 OG SER A 98 -17.508 49.580 -4.045 1.00 0.00 ATOM 764 O SER A 98 -17.693 45.344 -2.875 1.00 0.00 ATOM 765 C SER A 98 -16.715 46.067 -3.094 1.00 0.00 ATOM 766 N SER A 99 -15.549 45.591 -3.520 1.00 0.00 ATOM 767 CA SER A 99 -15.364 44.172 -3.794 1.00 0.00 ATOM 768 CB SER A 99 -14.205 43.957 -4.768 1.00 0.00 ATOM 769 OG SER A 99 -12.971 44.339 -4.185 1.00 0.00 ATOM 770 O SER A 99 -14.939 42.138 -2.671 1.00 0.00 ATOM 771 C SER A 99 -15.048 43.362 -2.561 1.00 0.00 ATOM 772 N LYS A 100 -14.790 44.065 -1.345 1.00 0.00 ATOM 773 CA LYS A 100 -14.538 43.412 -0.067 1.00 0.00 ATOM 774 CB LYS A 100 -15.401 42.149 0.006 1.00 0.00 ATOM 775 CG LYS A 100 -16.895 42.412 -0.089 1.00 0.00 ATOM 776 CD LYS A 100 -17.697 41.162 0.231 1.00 0.00 ATOM 777 CE LYS A 100 -19.186 41.394 0.027 1.00 0.00 ATOM 778 NZ LYS A 100 -19.983 40.169 0.314 1.00 0.00 ATOM 779 O LYS A 100 -12.869 41.911 0.756 1.00 0.00 ATOM 780 C LYS A 100 -13.110 42.935 0.110 1.00 0.00 ATOM 781 N TRP A 101 -12.158 43.672 -0.455 1.00 0.00 ATOM 782 CA TRP A 101 -10.750 43.312 -0.339 1.00 0.00 ATOM 783 CB TRP A 101 -9.998 43.600 -1.640 1.00 0.00 ATOM 784 CG TRP A 101 -8.527 43.336 -1.552 1.00 0.00 ATOM 785 CD1 TRP A 101 -7.896 42.139 -1.745 1.00 0.00 ATOM 786 CD2 TRP A 101 -7.499 44.288 -1.252 1.00 0.00 ATOM 787 CE2 TRP A 101 -6.271 43.598 -1.278 1.00 0.00 ATOM 788 CE3 TRP A 101 -7.498 45.656 -0.962 1.00 0.00 ATOM 789 NE1 TRP A 101 -6.540 42.287 -1.581 1.00 0.00 ATOM 790 CZ2 TRP A 101 -5.054 44.231 -1.026 1.00 0.00 ATOM 791 CZ3 TRP A 101 -6.289 46.278 -0.713 1.00 0.00 ATOM 792 CH2 TRP A 101 -5.084 45.569 -0.745 1.00 0.00 ATOM 793 O TRP A 101 -8.996 43.760 1.228 1.00 0.00 ATOM 794 C TRP A 101 -10.085 44.111 0.778 1.00 0.00 ATOM 795 N PHE A 102 -10.616 45.374 1.091 1.00 0.00 ATOM 796 CA PHE A 102 -10.103 46.340 2.058 1.00 0.00 ATOM 797 CB PHE A 102 -8.812 46.978 1.542 1.00 0.00 ATOM 798 CG PHE A 102 -8.174 47.930 2.513 1.00 0.00 ATOM 799 CD1 PHE A 102 -7.349 47.463 3.522 1.00 0.00 ATOM 800 CD2 PHE A 102 -8.400 49.292 2.418 1.00 0.00 ATOM 801 CE1 PHE A 102 -6.764 48.339 4.416 1.00 0.00 ATOM 802 CE2 PHE A 102 -7.813 50.168 3.312 1.00 0.00 ATOM 803 CZ PHE A 102 -6.998 49.697 4.307 1.00 0.00 ATOM 804 O PHE A 102 -11.768 47.896 1.333 1.00 0.00 ATOM 805 C PHE A 102 -11.132 47.445 2.280 1.00 0.00 ATOM 806 N PRO A 103 -11.300 47.901 3.534 1.00 0.00 ATOM 807 CA PRO A 103 -12.265 48.959 3.850 1.00 0.00 ATOM 808 CB PRO A 103 -12.722 48.624 5.272 1.00 0.00 ATOM 809 CG PRO A 103 -11.522 48.013 5.914 1.00 0.00 ATOM 810 CD PRO A 103 -10.823 47.234 4.836 1.00 0.00 ATOM 811 O PRO A 103 -10.577 50.599 4.303 1.00 0.00 ATOM 812 C PRO A 103 -11.678 50.367 3.809 1.00 0.00 ATOM 813 N GLN A 104 -12.420 51.300 3.227 1.00 0.00 ATOM 814 CA GLN A 104 -11.946 52.675 3.128 1.00 0.00 ATOM 815 CB GLN A 104 -12.989 53.553 2.433 1.00 0.00 ATOM 816 CG GLN A 104 -12.535 54.984 2.195 1.00 0.00 ATOM 817 CD GLN A 104 -13.556 55.797 1.423 1.00 0.00 ATOM 818 OE1 GLN A 104 -14.623 55.296 1.067 1.00 0.00 ATOM 819 NE2 GLN A 104 -13.230 57.057 1.161 1.00 0.00 ATOM 820 O GLN A 104 -12.451 52.803 5.480 1.00 0.00 ATOM 821 C GLN A 104 -11.704 53.158 4.563 1.00 0.00 ATOM 822 N ALA A 105 -10.661 53.967 4.768 1.00 0.00 ATOM 823 CA ALA A 105 -10.326 54.442 6.067 1.00 0.00 ATOM 824 CB ALA A 105 -9.190 55.341 6.028 1.00 0.00 ATOM 825 O ALA A 105 -11.727 55.203 7.899 1.00 0.00 ATOM 826 C ALA A 105 -11.447 55.282 6.663 1.00 0.00 ATOM 827 N GLY A 106 -12.092 56.090 5.781 1.00 0.00 ATOM 828 CA GLY A 106 -13.135 57.003 6.244 1.00 0.00 ATOM 829 O GLY A 106 -14.723 55.310 5.651 1.00 0.00 ATOM 830 C GLY A 106 -14.425 56.213 6.430 1.00 0.00 ATOM 831 N ASP A 107 -15.166 56.482 7.514 1.00 0.00 ATOM 832 CA ASP A 107 -16.424 55.776 7.776 1.00 0.00 ATOM 833 CB ASP A 107 -17.078 56.302 9.055 1.00 0.00 ATOM 834 CG ASP A 107 -16.363 55.837 10.309 1.00 0.00 ATOM 835 OD1 ASP A 107 -15.468 54.974 10.196 1.00 0.00 ATOM 836 OD2 ASP A 107 -16.698 56.336 11.405 1.00 0.00 ATOM 837 O ASP A 107 -17.362 56.939 5.898 1.00 0.00 ATOM 838 C ASP A 107 -17.428 55.960 6.640 1.00 0.00 ATOM 839 N ALA A 108 -18.353 55.008 6.529 1.00 0.00 ATOM 840 CA ALA A 108 -19.362 55.064 5.476 1.00 0.00 ATOM 841 CB ALA A 108 -20.260 53.839 5.536 1.00 0.00 ATOM 842 O ALA A 108 -20.565 56.912 4.516 1.00 0.00 ATOM 843 C ALA A 108 -20.296 56.278 5.534 1.00 0.00 ATOM 844 N GLY A 109 -20.814 56.570 6.713 1.00 0.00 ATOM 845 CA GLY A 109 -21.709 57.732 6.878 1.00 0.00 ATOM 846 O GLY A 109 -21.439 59.889 5.880 1.00 0.00 ATOM 847 C GLY A 109 -20.936 58.994 6.520 1.00 0.00 ATOM 848 N MET A 110 -19.671 59.040 6.955 1.00 0.00 ATOM 849 CA MET A 110 -18.832 60.171 6.638 1.00 0.00 ATOM 850 CB MET A 110 -17.429 59.976 7.216 1.00 0.00 ATOM 851 CG MET A 110 -17.364 60.069 8.733 1.00 0.00 ATOM 852 SD MET A 110 -15.724 59.704 9.383 1.00 0.00 ATOM 853 CE MET A 110 -14.803 61.122 8.793 1.00 0.00 ATOM 854 O MET A 110 -18.802 61.489 4.574 1.00 0.00 ATOM 855 C MET A 110 -18.684 60.369 5.126 1.00 0.00 ATOM 856 N CYS A 111 -18.411 59.267 4.438 1.00 0.00 ATOM 857 CA CYS A 111 -18.182 59.331 3.001 1.00 0.00 ATOM 858 CB CYS A 111 -17.551 57.978 2.540 1.00 0.00 ATOM 859 SG CYS A 111 -15.841 57.710 3.082 1.00 0.00 ATOM 860 O CYS A 111 -19.408 60.397 1.272 1.00 0.00 ATOM 861 C CYS A 111 -19.452 59.641 2.215 1.00 0.00 ATOM 862 N LEU A 112 -20.578 59.057 2.618 1.00 0.00 ATOM 863 CA LEU A 112 -21.849 59.295 1.945 1.00 0.00 ATOM 864 CB LEU A 112 -22.950 58.429 2.558 1.00 0.00 ATOM 865 CG LEU A 112 -22.850 56.923 2.301 1.00 0.00 ATOM 866 CD1 LEU A 112 -23.894 56.169 3.111 1.00 0.00 ATOM 867 CD2 LEU A 112 -23.076 56.613 0.829 1.00 0.00 ATOM 868 O LEU A 112 -22.506 61.479 1.149 1.00 0.00 ATOM 869 C LEU A 112 -22.187 60.778 2.116 1.00 0.00 ATOM 870 N ASP A 113 -22.042 61.282 3.320 1.00 0.00 ATOM 871 CA ASP A 113 -22.266 62.713 3.581 1.00 0.00 ATOM 872 CB ASP A 113 -22.180 62.981 5.085 1.00 0.00 ATOM 873 CG ASP A 113 -23.343 62.380 5.851 1.00 0.00 ATOM 874 OD1 ASP A 113 -24.332 61.974 5.207 1.00 0.00 ATOM 875 OD2 ASP A 113 -23.264 62.314 7.096 1.00 0.00 ATOM 876 O ASP A 113 -21.661 64.667 2.332 1.00 0.00 ATOM 877 C ASP A 113 -21.280 63.632 2.867 1.00 0.00 ATOM 878 N LEU A 114 -20.010 63.227 2.860 1.00 0.00 ATOM 879 CA LEU A 114 -18.961 64.010 2.208 1.00 0.00 ATOM 880 CB LEU A 114 -17.588 63.389 2.471 1.00 0.00 ATOM 881 CG LEU A 114 -17.073 63.467 3.910 1.00 0.00 ATOM 882 CD1 LEU A 114 -15.793 62.660 4.066 1.00 0.00 ATOM 883 CD2 LEU A 114 -16.777 64.907 4.298 1.00 0.00 ATOM 884 O LEU A 114 -19.124 65.114 0.100 1.00 0.00 ATOM 885 C LEU A 114 -19.211 64.055 0.706 1.00 0.00 ATOM 886 N LEU A 115 -19.542 62.920 0.097 1.00 0.00 ATOM 887 CA LEU A 115 -19.849 62.843 -1.323 1.00 0.00 ATOM 888 CB LEU A 115 -20.222 61.412 -1.715 1.00 0.00 ATOM 889 CG LEU A 115 -20.548 61.177 -3.191 1.00 0.00 ATOM 890 CD1 LEU A 115 -19.347 61.504 -4.066 1.00 0.00 ATOM 891 CD2 LEU A 115 -20.931 59.724 -3.433 1.00 0.00 ATOM 892 O LEU A 115 -20.956 64.482 -2.656 1.00 0.00 ATOM 893 C LEU A 115 -21.009 63.751 -1.674 1.00 0.00 ATOM 894 N ASP A 116 -22.049 63.718 -0.853 1.00 0.00 ATOM 895 CA ASP A 116 -23.232 64.533 -1.100 1.00 0.00 ATOM 896 CB ASP A 116 -24.340 64.185 -0.104 1.00 0.00 ATOM 897 CG ASP A 116 -24.985 62.845 -0.393 1.00 0.00 ATOM 898 OD1 ASP A 116 -24.752 62.299 -1.492 1.00 0.00 ATOM 899 OD2 ASP A 116 -25.723 62.339 0.478 1.00 0.00 ATOM 900 O ASP A 116 -23.637 66.830 -1.644 1.00 0.00 ATOM 901 C ASP A 116 -22.959 66.029 -0.996 1.00 0.00 ATOM 902 N ASP A 117 -21.985 66.407 -0.170 1.00 0.00 ATOM 903 CA ASP A 117 -21.646 67.816 0.000 1.00 0.00 ATOM 904 CB ASP A 117 -21.093 68.049 1.407 1.00 0.00 ATOM 905 CG ASP A 117 -22.108 67.748 2.491 1.00 0.00 ATOM 906 OD1 ASP A 117 -23.256 68.226 2.379 1.00 0.00 ATOM 907 OD2 ASP A 117 -21.757 67.030 3.452 1.00 0.00 ATOM 908 O ASP A 117 -20.209 69.404 -1.075 1.00 0.00 ATOM 909 C ASP A 117 -20.594 68.237 -1.012 1.00 0.00 ATOM 910 N GLY A 118 -20.127 67.290 -1.789 1.00 0.00 ATOM 911 CA GLY A 118 -19.120 67.596 -2.788 1.00 0.00 ATOM 912 O GLY A 118 -16.800 68.161 -2.897 1.00 0.00 ATOM 913 C GLY A 118 -17.706 67.708 -2.214 1.00 0.00 ATOM 914 N THR A 119 -17.491 67.225 -1.004 1.00 0.00 ATOM 915 CA THR A 119 -16.175 67.311 -0.392 1.00 0.00 ATOM 916 CB THR A 119 -16.222 67.228 1.111 1.00 0.00 ATOM 917 CG2 THR A 119 -14.849 67.268 1.726 1.00 0.00 ATOM 918 OG1 THR A 119 -16.982 68.355 1.562 1.00 0.00 ATOM 919 O THR A 119 -14.146 66.426 -1.378 1.00 0.00 ATOM 920 C THR A 119 -15.326 66.232 -1.063 1.00 0.00 ATOM 921 N PHE A 120 -15.997 65.011 -1.228 1.00 0.00 ATOM 922 CA PHE A 120 -15.329 63.866 -1.832 1.00 0.00 ATOM 923 CB PHE A 120 -15.781 62.695 -0.956 1.00 0.00 ATOM 924 CG PHE A 120 -15.158 61.382 -1.332 1.00 0.00 ATOM 925 CD1 PHE A 120 -13.841 61.104 -1.007 1.00 0.00 ATOM 926 CD2 PHE A 120 -15.888 60.423 -2.013 1.00 0.00 ATOM 927 CE1 PHE A 120 -13.269 59.895 -1.353 1.00 0.00 ATOM 928 CE2 PHE A 120 -15.315 59.213 -2.360 1.00 0.00 ATOM 929 CZ PHE A 120 -14.012 58.948 -2.032 1.00 0.00 ATOM 930 O PHE A 120 -17.014 63.596 -3.496 1.00 0.00 ATOM 931 C PHE A 120 -15.801 63.652 -3.249 1.00 0.00 ATOM 932 N LYS A 121 -14.814 63.509 -4.169 1.00 0.00 ATOM 933 CA LYS A 121 -15.124 63.272 -5.571 1.00 0.00 ATOM 934 CB LYS A 121 -13.835 63.181 -6.391 1.00 0.00 ATOM 935 CG LYS A 121 -14.058 63.050 -7.887 1.00 0.00 ATOM 936 CD LYS A 121 -12.740 63.053 -8.644 1.00 0.00 ATOM 937 CE LYS A 121 -12.963 62.905 -10.141 1.00 0.00 ATOM 938 NZ LYS A 121 -11.681 62.921 -10.898 1.00 0.00 ATOM 939 O LYS A 121 -15.448 60.936 -5.322 1.00 0.00 ATOM 940 C LYS A 121 -15.896 61.984 -5.766 1.00 0.00 ATOM 941 N PRO A 122 -17.060 62.049 -6.418 1.00 0.00 ATOM 942 CA PRO A 122 -17.843 60.858 -6.660 1.00 0.00 ATOM 943 CB PRO A 122 -19.123 61.382 -7.314 1.00 0.00 ATOM 944 CG PRO A 122 -18.741 62.716 -7.864 1.00 0.00 ATOM 945 CD PRO A 122 -17.688 63.262 -6.941 1.00 0.00 ATOM 946 O PRO A 122 -16.976 58.708 -7.235 1.00 0.00 ATOM 947 C PRO A 122 -17.111 59.886 -7.562 1.00 0.00 ATOM 948 N LYS A 123 -16.446 60.356 -8.599 1.00 0.00 ATOM 949 CA LYS A 123 -15.716 59.514 -9.531 1.00 0.00 ATOM 950 CB LYS A 123 -15.434 60.275 -10.829 1.00 0.00 ATOM 951 CG LYS A 123 -16.681 60.648 -11.614 1.00 0.00 ATOM 952 CD LYS A 123 -16.325 61.289 -12.945 1.00 0.00 ATOM 953 CE LYS A 123 -17.572 61.669 -13.726 1.00 0.00 ATOM 954 NZ LYS A 123 -17.238 62.324 -15.020 1.00 0.00 ATOM 955 O LYS A 123 -13.925 59.473 -7.926 1.00 0.00 ATOM 956 C LYS A 123 -14.370 59.039 -8.984 1.00 0.00 ENDMDL EXPDTA 2i9cA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2i9cA ATOM 1 C LYS 3 -0.198 36.974 -5.861 1.00 0.00 ATOM 2 N LEU A 4 -1.370 37.446 -6.135 1.00 0.00 ATOM 3 CA LEU A 4 -2.210 36.620 -7.042 1.00 0.00 ATOM 4 CB LEU A 4 -3.546 36.281 -6.365 1.00 0.00 ATOM 5 CG LEU A 4 -3.633 35.418 -5.112 1.00 0.00 ATOM 6 CD1 LEU A 4 -4.942 35.723 -4.419 1.00 0.00 ATOM 7 CD2 LEU A 4 -3.509 33.921 -5.454 1.00 0.00 ATOM 8 O LEU A 4 -2.818 38.472 -8.443 1.00 0.00 ATOM 9 C LEU A 4 -2.565 37.265 -8.379 1.00 0.00 ATOM 10 N ASP A 5 -2.636 36.451 -9.428 1.00 0.00 ATOM 11 CA ASP A 5 -3.267 36.875 -10.687 1.00 0.00 ATOM 12 CB ASP A 5 -2.570 36.216 -11.897 1.00 0.00 ATOM 13 CG ASP A 5 -3.309 36.456 -13.227 1.00 0.00 ATOM 14 OD1 ASP A 5 -4.226 37.315 -13.274 1.00 0.00 ATOM 15 OD2 ASP A 5 -2.972 35.772 -14.232 1.00 0.00 ATOM 16 O ASP A 5 -5.244 35.435 -10.738 1.00 0.00 ATOM 17 C ASP A 5 -4.794 36.593 -10.674 1.00 0.00 ATOM 18 N LEU A 6 -5.580 37.669 -10.606 1.00 0.00 ATOM 19 CA LEU A 6 -7.046 37.592 -10.473 1.00 0.00 ATOM 20 CB LEU A 6 -7.483 38.394 -9.256 1.00 0.00 ATOM 21 CG LEU A 6 -6.928 37.813 -7.974 1.00 0.00 ATOM 22 CD1 LEU A 6 -7.091 38.792 -6.836 1.00 0.00 ATOM 23 CD2 LEU A 6 -7.592 36.478 -7.689 1.00 0.00 ATOM 24 O LEU A 6 -8.909 38.266 -11.820 1.00 0.00 ATOM 25 C LEU A 6 -7.689 38.169 -11.710 1.00 0.00 ATOM 26 N HIS A 7 -6.827 38.528 -12.653 1.00 0.00 ATOM 27 CA HIS A 7 -7.186 39.225 -13.869 1.00 0.00 ATOM 28 CB HIS A 7 -5.891 39.522 -14.659 1.00 0.00 ATOM 29 CG HIS A 7 -6.057 40.543 -15.733 1.00 0.00 ATOM 30 CD2 HIS A 7 -6.626 40.463 -16.961 1.00 0.00 ATOM 31 ND1 HIS A 7 -5.611 41.840 -15.596 1.00 0.00 ATOM 32 CE1 HIS A 7 -5.880 42.512 -16.702 1.00 0.00 ATOM 33 NE2 HIS A 7 -6.506 41.702 -17.543 1.00 0.00 ATOM 34 O HIS A 7 -8.874 38.988 -15.539 1.00 0.00 ATOM 35 C HIS A 7 -8.150 38.422 -14.723 1.00 0.00 ATOM 36 N GLN A 8 -8.151 37.102 -14.529 1.00 0.00 ATOM 37 CA GLN A 8 -8.969 36.190 -15.338 1.00 0.00 ATOM 38 CB GLN A 8 -8.203 34.884 -15.654 1.00 0.00 ATOM 39 CG GLN A 8 -6.985 35.098 -16.521 1.00 0.00 ATOM 40 CD GLN A 8 -7.286 36.055 -17.660 1.00 0.00 ATOM 41 OE1 GLN A 8 -8.252 35.866 -18.421 1.00 0.00 ATOM 42 NE2 GLN A 8 -6.469 37.102 -17.773 1.00 0.00 ATOM 43 O GLN A 8 -11.170 35.217 -15.318 1.00 0.00 ATOM 44 C GLN A 8 -10.335 35.884 -14.717 1.00 0.00 ATOM 45 N MET A 9 -10.543 36.376 -13.502 1.00 0.00 ATOM 46 CA MET A 9 -11.782 36.123 -12.786 1.00 0.00 ATOM 47 CB MET A 9 -11.530 36.174 -11.288 1.00 0.00 ATOM 48 CG MET A 9 -11.049 34.847 -10.741 1.00 0.00 ATOM 49 SD MET A 9 -10.876 34.896 -8.763 1.00 0.00 ATOM 50 CE MET A 9 -12.508 35.483 -8.301 1.00 0.00 ATOM 51 O MET A 9 -12.544 38.282 -13.410 1.00 0.00 ATOM 52 C MET A 9 -12.852 37.114 -13.166 1.00 0.00 ATOM 53 N THR A 10 -14.101 36.650 -13.236 1.00 0.00 ATOM 54 CA THR A 10 -15.220 37.547 -13.523 1.00 0.00 ATOM 55 CB THR A 10 -16.557 36.839 -13.881 1.00 0.00 ATOM 56 CG2 THR A 10 -16.427 35.892 -15.101 1.00 0.00 ATOM 57 OG1 THR A 10 -17.061 36.136 -12.754 1.00 0.00 ATOM 58 O THR A 10 -15.125 38.110 -11.213 1.00 0.00 ATOM 59 C THR A 10 -15.453 38.450 -12.321 1.00 0.00 ATOM 60 N THR A 11 -15.992 39.627 -12.569 1.00 0.00 ATOM 61 CA THR A 11 -16.354 40.564 -11.509 1.00 0.00 ATOM 62 CB THR A 11 -16.894 41.881 -12.150 1.00 0.00 ATOM 63 CG2 THR A 11 -17.536 42.781 -11.096 1.00 0.00 ATOM 64 OG1 THR A 11 -15.777 42.523 -12.808 1.00 0.00 ATOM 65 O THR A 11 -17.073 40.118 -9.263 1.00 0.00 ATOM 66 C THR A 11 -17.302 39.952 -10.465 1.00 0.00 ATOM 67 N GLN A 12 -18.305 39.180 -10.883 1.00 0.00 ATOM 68 CA GLN A 12 -19.158 38.499 -9.906 1.00 0.00 ATOM 69 CB GLN A 12 -20.346 37.763 -10.551 1.00 0.00 ATOM 70 CG GLN A 12 -21.492 38.629 -10.916 1.00 0.00 ATOM 71 CD GLN A 12 -22.098 39.409 -9.734 1.00 0.00 ATOM 72 OE1 GLN A 12 -22.179 38.932 -8.598 1.00 0.00 ATOM 73 NE2 GLN A 12 -22.526 40.633 -10.021 1.00 0.00 ATOM 74 O GLN A 12 -18.757 37.380 -7.820 1.00 0.00 ATOM 75 C GLN A 12 -18.439 37.508 -9.027 1.00 0.00 ATOM 76 N ASP A 13 -17.524 36.755 -9.639 1.00 0.00 ATOM 77 CA ASP A 13 -16.706 35.784 -8.887 1.00 0.00 ATOM 78 CB ASP A 13 -15.830 34.915 -9.820 1.00 0.00 ATOM 79 CG ASP A 13 -16.609 33.758 -10.477 1.00 0.00 ATOM 80 OD1 ASP A 13 -17.752 33.458 -10.041 1.00 0.00 ATOM 81 OD2 ASP A 13 -16.069 33.139 -11.450 1.00 0.00 ATOM 82 O ASP A 13 -15.608 35.970 -6.772 1.00 0.00 ATOM 83 C ASP A 13 -15.801 36.482 -7.874 1.00 0.00 ATOM 84 N LEU A 14 -15.234 37.623 -8.265 1.00 0.00 ATOM 85 CA LEU A 14 -14.459 38.487 -7.336 1.00 0.00 ATOM 86 CB LEU A 14 -13.854 39.684 -8.098 1.00 0.00 ATOM 87 CG LEU A 14 -12.698 39.306 -9.063 1.00 0.00 ATOM 88 CD1 LEU A 14 -12.440 40.411 -10.011 1.00 0.00 ATOM 89 CD2 LEU A 14 -11.399 38.954 -8.287 1.00 0.00 ATOM 90 O LEU A 14 -14.796 38.930 -4.956 1.00 0.00 ATOM 91 C LEU A 14 -15.287 38.955 -6.114 1.00 0.00 ATOM 92 N VAL A 15 -16.510 39.412 -6.358 1.00 0.00 ATOM 93 CA VAL A 15 -17.399 39.792 -5.239 1.00 0.00 ATOM 94 CB VAL A 15 -18.725 40.457 -5.718 1.00 0.00 ATOM 95 CG1 VAL A 15 -19.623 40.802 -4.525 1.00 0.00 ATOM 96 CG2 VAL A 15 -18.411 41.764 -6.431 1.00 0.00 ATOM 97 O VAL A 15 -17.608 38.760 -3.065 1.00 0.00 ATOM 98 C VAL A 15 -17.669 38.613 -4.293 1.00 0.00 ATOM 99 N ALA A 16 -17.973 37.444 -4.874 1.00 0.00 ATOM 100 CA ALA A 16 -18.281 36.264 -4.075 1.00 0.00 ATOM 101 CB ALA A 16 -18.761 35.062 -4.964 1.00 0.00 ATOM 102 O ALA A 16 -17.086 35.537 -2.143 1.00 0.00 ATOM 103 C ALA A 16 -17.011 35.904 -3.301 1.00 0.00 ATOM 104 N LEU A 17 -15.838 35.960 -3.954 1.00 0.00 ATOM 105 CA LEU A 17 -14.609 35.568 -3.235 1.00 0.00 ATOM 106 CB LEU A 17 -13.435 35.377 -4.207 1.00 0.00 ATOM 107 CG LEU A 17 -12.128 34.886 -3.578 1.00 0.00 ATOM 108 CD1 LEU A 17 -12.299 33.400 -3.029 1.00 0.00 ATOM 109 CD2 LEU A 17 -10.985 34.974 -4.657 1.00 0.00 ATOM 110 O LEU A 17 -13.810 36.251 -1.066 1.00 0.00 ATOM 111 C LEU A 17 -14.257 36.606 -2.147 1.00 0.00 ATOM 112 N PHE A 18 -14.464 37.883 -2.444 1.00 0.00 ATOM 113 CA PHE A 18 -14.286 38.930 -1.437 1.00 0.00 ATOM 114 CB PHE A 18 -14.738 40.289 -2.005 1.00 0.00 ATOM 115 CG PHE A 18 -14.528 41.472 -1.051 1.00 0.00 ATOM 116 CD1 PHE A 18 -13.439 42.337 -1.206 1.00 0.00 ATOM 117 CD2 PHE A 18 -15.426 41.708 -0.016 1.00 0.00 ATOM 118 CE1 PHE A 18 -13.267 43.434 -0.349 1.00 0.00 ATOM 119 CE2 PHE A 18 -15.272 42.778 0.855 1.00 0.00 ATOM 120 CZ PHE A 18 -14.193 43.647 0.684 1.00 0.00 ATOM 121 O PHE A 18 -14.605 38.652 0.953 1.00 0.00 ATOM 122 C PHE A 18 -15.109 38.566 -0.170 1.00 0.00 ATOM 123 N ALA A 19 -16.384 38.213 -0.333 1.00 0.00 ATOM 124 CA ALA A 19 -17.190 37.896 0.845 1.00 0.00 ATOM 125 CB ALA A 19 -18.703 37.725 0.465 1.00 0.00 ATOM 126 O ALA A 19 -16.651 36.607 2.827 1.00 0.00 ATOM 127 C ALA A 19 -16.679 36.637 1.591 1.00 0.00 ATOM 128 N LYS A 20 -16.295 35.605 0.832 1.00 0.00 ATOM 129 CA LYS A 20 -15.791 34.358 1.438 1.00 0.00 ATOM 130 CB LYS A 20 -15.551 33.251 0.383 1.00 0.00 ATOM 131 CG LYS A 20 -15.185 31.860 0.966 1.00 0.00 ATOM 132 CD LYS A 20 -14.756 30.857 -0.104 1.00 0.00 ATOM 133 CE LYS A 20 -15.156 29.435 0.308 1.00 0.00 ATOM 134 NZ LYS A 20 -13.987 28.513 0.330 1.00 0.00 ATOM 135 O LYS A 20 -14.413 34.145 3.366 1.00 0.00 ATOM 136 C LYS A 20 -14.528 34.625 2.250 1.00 0.00 ATOM 137 N VAL A 21 -13.580 35.382 1.695 1.00 0.00 ATOM 138 CA VAL A 21 -12.323 35.614 2.434 1.00 0.00 ATOM 139 CB VAL A 21 -11.093 36.058 1.513 1.00 0.00 ATOM 140 CG1 VAL A 21 -10.983 35.201 0.328 1.00 0.00 ATOM 141 CG2 VAL A 21 -11.226 37.478 1.086 1.00 0.00 ATOM 142 O VAL A 21 -11.774 36.421 4.636 1.00 0.00 ATOM 143 C VAL A 21 -12.489 36.540 3.654 1.00 0.00 ATOM 144 N THR A 22 -13.429 37.462 3.591 1.00 0.00 ATOM 145 CA THR A 22 -13.686 38.358 4.690 1.00 0.00 ATOM 146 CB THR A 22 -14.263 39.624 4.088 1.00 0.00 ATOM 147 CG2 THR A 22 -14.336 40.739 5.093 1.00 0.00 ATOM 148 OG1 THR A 22 -13.388 40.006 3.007 1.00 0.00 ATOM 149 O THR A 22 -14.329 37.996 7.016 1.00 0.00 ATOM 150 C THR A 22 -14.524 37.702 5.820 1.00 0.00 ATOM 151 N VAL A 23 -15.427 36.787 5.454 1.00 0.00 ATOM 152 CA VAL A 23 -16.039 35.885 6.476 1.00 0.00 ATOM 153 CB VAL A 23 -17.030 34.903 5.801 1.00 0.00 ATOM 154 CG1 VAL A 23 -17.322 33.682 6.684 1.00 0.00 ATOM 155 CG2 VAL A 23 -18.349 35.648 5.469 1.00 0.00 ATOM 156 O VAL A 23 -14.883 35.013 8.419 1.00 0.00 ATOM 157 C VAL A 23 -14.923 35.108 7.196 1.00 0.00 ATOM 158 N GLU A 24 -14.008 34.527 6.425 1.00 0.00 ATOM 159 CA GLU A 24 -12.904 33.814 7.023 1.00 0.00 ATOM 160 CB GLU A 24 -12.149 33.012 5.977 1.00 0.00 ATOM 161 CG GLU A 24 -13.005 31.844 5.427 1.00 0.00 ATOM 162 CD GLU A 24 -12.278 31.031 4.345 1.00 0.00 ATOM 163 OE1 GLU A 24 -11.021 30.948 4.392 1.00 0.00 ATOM 164 OE2 GLU A 24 -12.977 30.482 3.444 1.00 0.00 ATOM 165 O GLU A 24 -11.426 34.255 8.829 1.00 0.00 ATOM 166 C GLU A 24 -11.972 34.716 7.837 1.00 0.00 ATOM 167 N GLN A 25 -11.808 35.985 7.452 1.00 0.00 ATOM 168 CA GLN A 25 -11.149 36.988 8.340 1.00 0.00 ATOM 169 CB GLN A 25 -11.112 38.393 7.725 1.00 0.00 ATOM 170 CG GLN A 25 -10.086 38.573 6.567 1.00 0.00 ATOM 171 CD GLN A 25 -10.298 39.902 5.887 1.00 0.00 ATOM 172 OE1 GLN A 25 -10.807 40.820 6.499 1.00 0.00 ATOM 173 NE2 GLN A 25 -9.973 40.000 4.613 1.00 0.00 ATOM 174 O GLN A 25 -11.145 36.948 10.746 1.00 0.00 ATOM 175 C GLN A 25 -11.808 37.067 9.706 1.00 0.00 ATOM 176 N ASP A 26 -13.119 37.218 9.703 1.00 0.00 ATOM 177 CA ASP A 26 -13.894 37.264 10.920 1.00 0.00 ATOM 178 CB ASP A 26 -15.393 37.377 10.589 1.00 0.00 ATOM 179 CG ASP A 26 -16.213 37.795 11.779 1.00 0.00 ATOM 180 OD1 ASP A 26 -15.737 38.688 12.525 1.00 0.00 ATOM 181 OD2 ASP A 26 -17.341 37.252 11.965 1.00 0.00 ATOM 182 O ASP A 26 -13.318 36.087 12.907 1.00 0.00 ATOM 183 C ASP A 26 -13.637 35.997 11.733 1.00 0.00 ATOM 184 N ASP A 27 -13.752 34.832 11.105 1.00 0.00 ATOM 185 CA ASP A 27 -13.502 33.538 11.769 1.00 0.00 ATOM 186 CB ASP A 27 -13.566 32.379 10.757 1.00 0.00 ATOM 187 CG ASP A 27 -14.994 32.060 10.243 1.00 0.00 ATOM 188 OD1 ASP A 27 -15.960 32.572 10.850 1.00 0.00 ATOM 189 OD2 ASP A 27 -15.107 31.254 9.250 1.00 0.00 ATOM 190 O ASP A 27 -11.919 33.080 13.545 1.00 0.00 ATOM 191 C ASP A 27 -12.107 33.523 12.395 1.00 0.00 ATOM 192 N ALA A 28 -11.119 33.968 11.615 1.00 0.00 ATOM 193 CA ALA A 28 -9.707 33.962 12.044 1.00 0.00 ATOM 194 CB ALA A 28 -8.795 34.444 10.884 1.00 0.00 ATOM 195 O ALA A 28 -8.851 34.319 14.299 1.00 0.00 ATOM 196 C ALA A 28 -9.462 34.799 13.313 1.00 0.00 ATOM 197 N LEU A 29 -9.916 36.042 13.281 1.00 0.00 ATOM 198 CA LEU A 29 -9.882 36.938 14.436 1.00 0.00 ATOM 199 CB LEU A 29 -10.653 38.221 14.123 1.00 0.00 ATOM 200 CG LEU A 29 -10.046 39.258 13.161 1.00 0.00 ATOM 201 CD1 LEU A 29 -11.049 40.359 12.788 1.00 0.00 ATOM 202 CD2 LEU A 29 -8.725 39.897 13.724 1.00 0.00 ATOM 203 O LEU A 29 -9.849 36.375 16.780 1.00 0.00 ATOM 204 C LEU A 29 -10.468 36.308 15.709 1.00 0.00 ATOM 205 N LEU A 30 -11.659 35.713 15.587 1.00 0.00 ATOM 206 CA LEU A 30 -12.331 35.060 16.726 1.00 0.00 ATOM 207 CB LEU A 30 -13.747 34.609 16.346 1.00 0.00 ATOM 208 CG LEU A 30 -14.755 35.754 16.130 1.00 0.00 ATOM 209 CD1 LEU A 30 -16.020 35.246 15.479 1.00 0.00 ATOM 210 CD2 LEU A 30 -15.069 36.481 17.441 1.00 0.00 ATOM 211 O LEU A 30 -11.557 33.648 18.511 1.00 0.00 ATOM 212 C LEU A 30 -11.539 33.877 17.288 1.00 0.00 ATOM 213 N GLY A 31 -10.845 33.148 16.403 1.00 0.00 ATOM 214 CA GLY A 31 -10.053 31.956 16.766 1.00 0.00 ATOM 215 O GLY A 31 -7.827 31.279 17.341 1.00 0.00 ATOM 216 C GLY A 31 -8.600 32.227 17.096 1.00 0.00 ATOM 217 N ASN A 32 -8.238 33.514 17.136 1.00 0.00 ATOM 218 CA ASN A 32 -6.848 34.004 17.314 1.00 0.00 ATOM 219 CB ASN A 32 -6.291 33.713 18.758 1.00 0.00 ATOM 220 CG ASN A 32 -5.161 34.707 19.210 1.00 0.00 ATOM 221 ND2 ASN A 32 -4.310 34.248 20.153 1.00 0.00 ATOM 222 OD1 ASN A 32 -5.069 35.867 18.730 1.00 0.00 ATOM 223 O ASN A 32 -4.709 33.209 16.587 1.00 0.00 ATOM 224 C ASN A 32 -5.877 33.454 16.263 1.00 0.00 ATOM 225 N GLN A 33 -6.355 33.212 15.034 1.00 0.00 ATOM 226 CA GLN A 33 -5.503 32.632 13.967 1.00 0.00 ATOM 227 CB GLN A 33 -6.288 31.668 13.055 1.00 0.00 ATOM 228 CG GLN A 33 -6.874 30.394 13.724 1.00 0.00 ATOM 229 CD GLN A 33 -5.864 29.571 14.564 1.00 0.00 ATOM 230 OE1 GLN A 33 -5.225 28.630 14.059 1.00 0.00 ATOM 231 NE2 GLN A 33 -5.759 29.902 15.875 1.00 0.00 ATOM 232 O GLN A 33 -5.473 34.140 12.084 1.00 0.00 ATOM 233 C GLN A 33 -4.986 33.822 13.183 1.00 0.00 ATOM 234 N ILE A 34 -4.022 34.521 13.774 1.00 0.00 ATOM 235 CA ILE A 34 -3.577 35.822 13.251 1.00 0.00 ATOM 236 CB ILE A 34 -2.790 36.646 14.324 1.00 0.00 ATOM 237 CG1 ILE A 34 -3.681 36.970 15.571 1.00 0.00 ATOM 238 CG2 ILE A 34 -2.108 37.903 13.728 1.00 0.00 ATOM 239 CD1 ILE A 34 -5.177 37.083 15.362 1.00 0.00 ATOM 240 O ILE A 34 -3.034 36.519 11.043 1.00 0.00 ATOM 241 C ILE A 34 -2.816 35.698 11.914 1.00 0.00 ATOM 242 N SER A 35 -1.963 34.679 11.743 1.00 0.00 ATOM 243 CA SER A 35 -1.283 34.493 10.441 1.00 0.00 ATOM 244 CB SER A 35 -0.203 33.400 10.447 1.00 0.00 ATOM 245 OG SER A 35 -0.743 32.090 10.480 1.00 0.00 ATOM 246 O SER A 35 -2.140 34.906 8.246 1.00 0.00 ATOM 247 C SER A 35 -2.298 34.308 9.297 1.00 0.00 ATOM 248 N ARG A 36 -3.351 33.527 9.547 1.00 0.00 ATOM 249 CA ARG A 36 -4.426 33.293 8.588 1.00 0.00 ATOM 250 CB ARG A 36 -5.360 32.165 9.088 1.00 0.00 ATOM 251 CG ARG A 36 -6.557 31.818 8.193 1.00 0.00 ATOM 252 CD ARG A 36 -6.043 31.041 7.002 1.00 0.00 ATOM 253 NE ARG A 36 -7.078 30.584 6.066 1.00 0.00 ATOM 254 CZ ARG A 36 -6.831 29.753 5.049 1.00 0.00 ATOM 255 NH1 ARG A 36 -5.589 29.315 4.835 1.00 0.00 ATOM 256 NH2 ARG A 36 -7.818 29.375 4.233 1.00 0.00 ATOM 257 O ARG A 36 -5.523 34.883 7.138 1.00 0.00 ATOM 258 C ARG A 36 -5.206 34.591 8.298 1.00 0.00 ATOM 259 N PHE A 37 -5.522 35.360 9.346 1.00 0.00 ATOM 260 CA PHE A 37 -6.162 36.665 9.169 1.00 0.00 ATOM 261 CB PHE A 37 -6.343 37.416 10.510 1.00 0.00 ATOM 262 CG PHE A 37 -6.878 38.805 10.312 1.00 0.00 ATOM 263 CD1 PHE A 37 -8.237 39.005 10.067 1.00 0.00 ATOM 264 CD2 PHE A 37 -6.010 39.889 10.238 1.00 0.00 ATOM 265 CE1 PHE A 37 -8.752 40.290 9.823 1.00 0.00 ATOM 266 CE2 PHE A 37 -6.510 41.178 9.988 1.00 0.00 ATOM 267 CZ PHE A 37 -7.874 41.378 9.782 1.00 0.00 ATOM 268 O PHE A 37 -5.954 38.170 7.323 1.00 0.00 ATOM 269 C PHE A 37 -5.379 37.578 8.222 1.00 0.00 ATOM 270 N ASN A 38 -4.060 37.675 8.447 1.00 0.00 ATOM 271 CA ASN A 38 -3.179 38.524 7.651 1.00 0.00 ATOM 272 CB ASN A 38 -1.742 38.518 8.260 1.00 0.00 ATOM 273 CG ASN A 38 -1.684 39.221 9.595 1.00 0.00 ATOM 274 ND2 ASN A 38 -0.723 38.817 10.426 1.00 0.00 ATOM 275 OD1 ASN A 38 -2.497 40.132 9.881 1.00 0.00 ATOM 276 O ASN A 38 -3.193 38.926 5.275 1.00 0.00 ATOM 277 C ASN A 38 -3.142 38.091 6.179 1.00 0.00 ATOM 278 N ARG A 39 -3.078 36.786 5.932 1.00 0.00 ATOM 279 CA ARG A 39 -3.072 36.312 4.546 1.00 0.00 ATOM 280 CB ARG A 39 -2.626 34.864 4.431 1.00 0.00 ATOM 281 CG ARG A 39 -1.204 34.631 4.923 1.00 0.00 ATOM 282 CD ARG A 39 -0.640 33.310 4.408 1.00 0.00 ATOM 283 NE ARG A 39 0.778 33.251 4.641 1.00 0.00 ATOM 284 CZ ARG A 39 1.690 33.741 3.805 1.00 0.00 ATOM 285 NH1 ARG A 39 1.315 34.342 2.682 1.00 0.00 ATOM 286 NH2 ARG A 39 2.954 33.678 4.111 1.00 0.00 ATOM 287 O ARG A 39 -4.451 36.986 2.727 1.00 0.00 ATOM 288 C ARG A 39 -4.415 36.552 3.862 1.00 0.00 ATOM 289 N LEU A 40 -5.514 36.269 4.553 1.00 0.00 ATOM 290 CA LEU A 40 -6.856 36.607 4.061 1.00 0.00 ATOM 291 CB LEU A 40 -7.904 36.099 5.049 1.00 0.00 ATOM 292 CG LEU A 40 -7.995 34.576 5.142 1.00 0.00 ATOM 293 CD1 LEU A 40 -8.796 34.275 6.377 1.00 0.00 ATOM 294 CD2 LEU A 40 -8.628 33.949 3.913 1.00 0.00 ATOM 295 O LEU A 40 -7.698 38.476 2.804 1.00 0.00 ATOM 296 C LEU A 40 -7.043 38.095 3.788 1.00 0.00 ATOM 297 N PHE A 41 -6.461 38.943 4.633 1.00 0.00 ATOM 298 CA PHE A 41 -6.479 40.383 4.366 1.00 0.00 ATOM 299 CB PHE A 41 -5.878 41.204 5.532 1.00 0.00 ATOM 300 CG PHE A 41 -6.071 42.698 5.382 1.00 0.00 ATOM 301 CD1 PHE A 41 -7.250 43.300 5.839 1.00 0.00 ATOM 302 CD2 PHE A 41 -5.113 43.489 4.751 1.00 0.00 ATOM 303 CE1 PHE A 41 -7.448 44.679 5.696 1.00 0.00 ATOM 304 CE2 PHE A 41 -5.295 44.873 4.600 1.00 0.00 ATOM 305 CZ PHE A 41 -6.478 45.469 5.084 1.00 0.00 ATOM 306 O PHE A 41 -6.326 41.508 2.272 1.00 0.00 ATOM 307 C PHE A 41 -5.777 40.738 3.060 1.00 0.00 ATOM 308 N GLY A 42 -4.560 40.202 2.847 1.00 0.00 ATOM 309 CA GLY A 42 -3.829 40.395 1.578 1.00 0.00 ATOM 310 O GLY A 42 -4.689 40.652 -0.663 1.00 0.00 ATOM 311 C GLY A 42 -4.639 39.951 0.358 1.00 0.00 ATOM 312 N VAL A 43 -5.257 38.782 0.446 1.00 0.00 ATOM 313 CA VAL A 43 -6.113 38.304 -0.652 1.00 0.00 ATOM 314 CB VAL A 43 -6.690 36.887 -0.371 1.00 0.00 ATOM 315 CG1 VAL A 43 -7.626 36.488 -1.481 1.00 0.00 ATOM 316 CG2 VAL A 43 -5.561 35.880 -0.313 1.00 0.00 ATOM 317 O VAL A 43 -7.519 39.627 -2.119 1.00 0.00 ATOM 318 C VAL A 43 -7.243 39.290 -0.943 1.00 0.00 ATOM 319 N MET A 44 -7.912 39.740 0.130 1.00 0.00 ATOM 320 CA MET A 44 -9.000 40.682 0.008 1.00 0.00 ATOM 321 CB MET A 44 -9.517 41.055 1.415 1.00 0.00 ATOM 322 CG MET A 44 -10.786 41.942 1.391 1.00 0.00 ATOM 323 SD MET A 44 -10.758 43.132 2.983 1.00 0.00 ATOM 324 CE MET A 44 -9.206 44.114 2.640 1.00 0.00 ATOM 325 O MET A 44 -9.283 42.440 -1.599 1.00 0.00 ATOM 326 C MET A 44 -8.563 41.947 -0.726 1.00 0.00 ATOM 327 N ALA A 45 -7.413 42.492 -0.316 1.00 0.00 ATOM 328 CA ALA A 45 -6.823 43.688 -0.928 1.00 0.00 ATOM 329 CB ALA A 45 -5.506 44.128 -0.158 1.00 0.00 ATOM 330 O ALA A 45 -6.756 44.422 -3.201 1.00 0.00 ATOM 331 C ALA A 45 -6.514 43.508 -2.395 1.00 0.00 ATOM 332 N GLU A 46 -5.957 42.343 -2.754 1.00 0.00 ATOM 333 CA GLU A 46 -5.767 42.005 -4.160 1.00 0.00 ATOM 334 CB GLU A 46 -5.086 40.661 -4.311 1.00 0.00 ATOM 335 CG GLU A 46 -3.715 40.710 -3.719 1.00 0.00 ATOM 336 CD GLU A 46 -2.949 39.472 -3.998 1.00 0.00 ATOM 337 OE1 GLU A 46 -2.815 39.164 -5.201 1.00 0.00 ATOM 338 OE2 GLU A 46 -2.492 38.818 -3.027 1.00 0.00 ATOM 339 O GLU A 46 -7.115 42.480 -6.081 1.00 0.00 ATOM 340 C GLU A 46 -7.061 41.989 -4.948 1.00 0.00 ATOM 341 N ILE A 47 -8.117 41.455 -4.340 1.00 0.00 ATOM 342 CA ILE A 47 -9.439 41.471 -4.990 1.00 0.00 ATOM 343 CB ILE A 47 -10.504 40.657 -4.197 1.00 0.00 ATOM 344 CG1 ILE A 47 -10.134 39.155 -4.174 1.00 0.00 ATOM 345 CG2 ILE A 47 -11.892 40.812 -4.831 1.00 0.00 ATOM 346 CD1 ILE A 47 -10.800 38.376 -3.007 1.00 0.00 ATOM 347 O ILE A 47 -10.378 43.199 -6.354 1.00 0.00 ATOM 348 C ILE A 47 -9.927 42.900 -5.248 1.00 0.00 ATOM 349 N ALA A 48 -9.822 43.769 -4.244 1.00 0.00 ATOM 350 CA ALA A 48 -10.273 45.152 -4.365 1.00 0.00 ATOM 351 CB ALA A 48 -10.201 45.865 -3.042 1.00 0.00 ATOM 352 O ALA A 48 -10.048 46.664 -6.172 1.00 0.00 ATOM 353 C ALA A 48 -9.466 45.901 -5.401 1.00 0.00 ATOM 354 N ASP A 49 -8.143 45.670 -5.445 1.00 0.00 ATOM 355 CA ASP A 49 -7.266 46.286 -6.479 1.00 0.00 ATOM 356 CB ASP A 49 -5.782 46.007 -6.213 1.00 0.00 ATOM 357 CG ASP A 49 -5.214 46.907 -5.117 1.00 0.00 ATOM 358 OD1 ASP A 49 -5.969 47.763 -4.573 1.00 0.00 ATOM 359 OD2 ASP A 49 -4.038 46.723 -4.777 1.00 0.00 ATOM 360 O ASP A 49 -7.584 46.645 -8.816 1.00 0.00 ATOM 361 C ASP A 49 -7.603 45.844 -7.880 1.00 0.00 ATOM 362 N GLU A 50 -7.920 44.560 -8.033 1.00 0.00 ATOM 363 CA GLU A 50 -8.344 44.059 -9.338 1.00 0.00 ATOM 364 CB GLU A 50 -8.453 42.518 -9.332 1.00 0.00 ATOM 365 CG GLU A 50 -9.010 41.922 -10.641 1.00 0.00 ATOM 366 CD GLU A 50 -8.114 42.150 -11.861 1.00 0.00 ATOM 367 OE1 GLU A 50 -6.875 42.395 -11.740 1.00 0.00 ATOM 368 OE2 GLU A 50 -8.651 42.098 -12.971 1.00 0.00 ATOM 369 O GLU A 50 -9.850 45.117 -10.913 1.00 0.00 ATOM 370 C GLU A 50 -9.687 44.717 -9.770 1.00 0.00 ATOM 371 N LEU A 51 -10.641 44.803 -8.850 1.00 0.00 ATOM 372 CA LEU A 51 -11.944 45.374 -9.177 1.00 0.00 ATOM 373 CB LEU A 51 -12.898 45.249 -7.982 1.00 0.00 ATOM 374 CG LEU A 51 -13.499 43.873 -7.735 1.00 0.00 ATOM 375 CD1 LEU A 51 -14.090 43.812 -6.331 1.00 0.00 ATOM 376 CD2 LEU A 51 -14.588 43.614 -8.767 1.00 0.00 ATOM 377 O LEU A 51 -12.312 47.347 -10.497 1.00 0.00 ATOM 378 C LEU A 51 -11.744 46.857 -9.534 1.00 0.00 ATOM 379 N LYS A 52 -10.952 47.563 -8.735 1.00 0.00 ATOM 380 CA LYS A 52 -10.612 48.963 -9.034 1.00 0.00 ATOM 381 CB LYS A 52 -9.683 49.559 -7.953 1.00 0.00 ATOM 382 CG LYS A 52 -9.181 50.983 -8.305 1.00 0.00 ATOM 383 CD LYS A 52 -8.162 51.542 -7.308 1.00 0.00 ATOM 384 CE LYS A 52 -6.907 50.696 -7.259 1.00 0.00 ATOM 385 NZ LYS A 52 -5.688 51.477 -6.874 1.00 0.00 ATOM 386 O LYS A 52 -10.409 50.001 -11.172 1.00 0.00 ATOM 387 C LYS A 52 -10.002 49.113 -10.448 1.00 0.00 ATOM 388 N ALA A 53 -9.094 48.217 -10.857 1.00 0.00 ATOM 389 CA ALA A 53 -8.448 48.290 -12.190 1.00 0.00 ATOM 390 CB ALA A 53 -7.227 47.355 -12.277 1.00 0.00 ATOM 391 O ALA A 53 -8.926 48.308 -14.536 1.00 0.00 ATOM 392 C ALA A 53 -9.346 48.071 -13.395 1.00 0.00 ATOM 393 N ARG A 54 -10.574 47.619 -13.160 1.00 0.00 ATOM 394 CA ARG A 54 -11.485 47.326 -14.235 1.00 0.00 ATOM 395 CB ARG A 54 -12.439 46.212 -13.791 1.00 0.00 ATOM 396 CG ARG A 54 -11.694 44.923 -13.791 1.00 0.00 ATOM 397 CD ARG A 54 -12.493 43.737 -13.358 1.00 0.00 ATOM 398 NE ARG A 54 -11.560 42.619 -13.325 1.00 0.00 ATOM 399 CZ ARG A 54 -11.911 41.346 -13.420 1.00 0.00 ATOM 400 NH1 ARG A 54 -13.199 41.011 -13.541 1.00 0.00 ATOM 401 NH2 ARG A 54 -10.973 40.415 -13.404 1.00 0.00 ATOM 402 O ARG A 54 -12.453 49.457 -13.785 1.00 0.00 ATOM 403 C ARG A 54 -12.240 48.569 -14.627 1.00 0.00 ATOM 404 N ASP A 55 -12.651 48.630 -15.899 1.00 0.00 ATOM 405 CA ASP A 55 -13.431 49.754 -16.419 1.00 0.00 ATOM 406 CB ASP A 55 -14.023 49.416 -17.790 1.00 0.00 ATOM 407 CG ASP A 55 -12.980 49.251 -18.845 1.00 0.00 ATOM 408 OD1 ASP A 55 -12.098 50.145 -18.993 1.00 0.00 ATOM 409 OD2 ASP A 55 -13.046 48.219 -19.541 1.00 0.00 ATOM 410 O ASP A 55 -15.344 49.302 -15.048 1.00 0.00 ATOM 411 C ASP A 55 -14.558 50.150 -15.482 1.00 0.00 ATOM 412 N GLY A 56 -14.611 51.447 -15.171 1.00 0.00 ATOM 413 CA GLY A 56 -15.681 52.036 -14.368 1.00 0.00 ATOM 414 O GLY A 56 -16.106 52.724 -12.113 1.00 0.00 ATOM 415 C GLY A 56 -15.373 52.075 -12.871 1.00 0.00 ATOM 416 N ASP A 57 -14.261 51.435 -12.465 1.00 0.00 ATOM 417 CA ASP A 57 -13.951 51.135 -11.072 1.00 0.00 ATOM 418 CB ASP A 57 -13.825 52.428 -10.249 1.00 0.00 ATOM 419 CG ASP A 57 -13.163 52.208 -8.922 1.00 0.00 ATOM 420 OD1 ASP A 57 -13.236 51.093 -8.391 1.00 0.00 ATOM 421 OD2 ASP A 57 -12.590 53.182 -8.393 1.00 0.00 ATOM 422 O ASP A 57 -16.055 50.602 -9.963 1.00 0.00 ATOM 423 C ASP A 57 -15.002 50.170 -10.481 1.00 0.00 ATOM 424 N GLN A 58 -14.720 48.866 -10.581 1.00 0.00 ATOM 425 CA GLN A 58 -15.734 47.857 -10.239 1.00 0.00 ATOM 426 CB GLN A 58 -15.526 46.539 -11.008 1.00 0.00 ATOM 427 CG GLN A 58 -15.901 46.603 -12.485 1.00 0.00 ATOM 428 CD GLN A 58 -17.323 47.063 -12.687 1.00 0.00 ATOM 429 OE1 GLN A 58 -18.284 46.510 -12.089 1.00 0.00 ATOM 430 NE2 GLN A 58 -17.484 48.097 -13.522 1.00 0.00 ATOM 431 O GLN A 58 -16.486 46.745 -8.283 1.00 0.00 ATOM 432 C GLN A 58 -15.762 47.593 -8.730 1.00 0.00 ATOM 433 N ARG A 59 -15.022 48.373 -7.935 1.00 0.00 ATOM 434 CA ARG A 59 -15.280 48.350 -6.478 1.00 0.00 ATOM 435 CB ARG A 59 -14.357 49.333 -5.733 1.00 0.00 ATOM 436 CG ARG A 59 -12.908 48.884 -5.662 1.00 0.00 ATOM 437 CD ARG A 59 -12.001 49.939 -4.982 1.00 0.00 ATOM 438 NE ARG A 59 -11.930 51.216 -5.715 1.00 0.00 ATOM 439 CZ ARG A 59 -11.213 52.273 -5.318 1.00 0.00 ATOM 440 NH1 ARG A 59 -10.466 52.182 -4.248 1.00 0.00 ATOM 441 NH2 ARG A 59 -11.210 53.394 -6.013 1.00 0.00 ATOM 442 O ARG A 59 -17.263 48.289 -5.106 1.00 0.00 ATOM 443 C ARG A 59 -16.754 48.659 -6.164 1.00 0.00 ATOM 444 N THR A 60 -17.418 49.377 -7.065 1.00 0.00 ATOM 445 CA THR A 60 -18.841 49.631 -6.990 1.00 0.00 ATOM 446 CB THR A 60 -19.313 50.393 -8.269 1.00 0.00 ATOM 447 CG2 THR A 60 -20.797 50.550 -8.273 1.00 0.00 ATOM 448 OG1 THR A 60 -18.770 51.716 -8.222 1.00 0.00 ATOM 449 O THR A 60 -20.698 48.315 -6.136 1.00 0.00 ATOM 450 C THR A 60 -19.655 48.331 -6.799 1.00 0.00 ATOM 451 N ALA A 61 -19.150 47.226 -7.331 1.00 0.00 ATOM 452 CA ALA A 61 -19.865 45.988 -7.195 1.00 0.00 ATOM 453 CB ALA A 61 -19.261 44.925 -8.160 1.00 0.00 ATOM 454 O ALA A 61 -20.748 44.641 -5.415 1.00 0.00 ATOM 455 C ALA A 61 -19.889 45.472 -5.738 1.00 0.00 ATOM 456 N LEU A 62 -18.980 45.968 -4.866 1.00 0.00 ATOM 457 CA LEU A 62 -18.960 45.540 -3.445 1.00 0.00 ATOM 458 CB LEU A 62 -17.606 45.894 -2.772 1.00 0.00 ATOM 459 CG LEU A 62 -16.385 45.257 -3.438 1.00 0.00 ATOM 460 CD1 LEU A 62 -15.091 45.932 -2.883 1.00 0.00 ATOM 461 CD2 LEU A 62 -16.430 43.725 -3.225 1.00 0.00 ATOM 462 O LEU A 62 -20.353 45.688 -1.476 1.00 0.00 ATOM 463 C LEU A 62 -20.096 46.127 -2.608 1.00 0.00 ATOM 464 N LEU A 63 -20.752 47.151 -3.147 1.00 0.00 ATOM 465 CA LEU A 63 -21.904 47.725 -2.495 1.00 0.00 ATOM 466 CB LEU A 63 -22.472 48.884 -3.341 1.00 0.00 ATOM 467 CG LEU A 63 -21.724 50.232 -3.472 1.00 0.00 ATOM 468 CD1 LEU A 63 -22.473 51.144 -4.451 1.00 0.00 ATOM 469 CD2 LEU A 63 -21.650 50.963 -2.107 1.00 0.00 ATOM 470 O LEU A 63 -23.689 46.791 -1.168 1.00 0.00 ATOM 471 C LEU A 63 -22.991 46.656 -2.175 1.00 0.00 ATOM 472 N SER A 64 -23.124 45.614 -3.011 1.00 0.00 ATOM 473 CA SER A 64 -24.070 44.485 -2.766 1.00 0.00 ATOM 474 CB SER A 64 -23.908 43.437 -3.846 1.00 0.00 ATOM 475 OG SER A 64 -24.489 43.886 -5.056 1.00 0.00 ATOM 476 O SER A 64 -24.700 43.071 -0.928 1.00 0.00 ATOM 477 C SER A 64 -23.823 43.767 -1.445 1.00 0.00 ATOM 478 N LEU A 65 -22.618 43.911 -0.910 1.00 0.00 ATOM 479 CA LEU A 65 -22.264 43.246 0.305 1.00 0.00 ATOM 480 CB LEU A 65 -20.762 42.993 0.306 1.00 0.00 ATOM 481 CG LEU A 65 -20.243 42.115 -0.831 1.00 0.00 ATOM 482 CD1 LEU A 65 -18.700 41.899 -0.589 1.00 0.00 ATOM 483 CD2 LEU A 65 -20.959 40.751 -0.935 1.00 0.00 ATOM 484 O LEU A 65 -22.361 43.445 2.654 1.00 0.00 ATOM 485 C LEU A 65 -22.640 43.965 1.588 1.00 0.00 ATOM 486 N PHE A 66 -23.208 45.177 1.501 1.00 0.00 ATOM 487 CA PHE A 66 -23.577 45.950 2.717 1.00 0.00 ATOM 488 CB PHE A 66 -24.106 47.336 2.349 1.00 0.00 ATOM 489 CG PHE A 66 -23.027 48.367 1.995 1.00 0.00 ATOM 490 CD1 PHE A 66 -21.716 47.993 1.715 1.00 0.00 ATOM 491 CD2 PHE A 66 -23.375 49.731 1.872 1.00 0.00 ATOM 492 CE1 PHE A 66 -20.785 48.941 1.329 1.00 0.00 ATOM 493 CE2 PHE A 66 -22.403 50.713 1.532 1.00 0.00 ATOM 494 CZ PHE A 66 -21.117 50.323 1.258 1.00 0.00 ATOM 495 O PHE A 66 -24.803 45.528 4.714 1.00 0.00 ATOM 496 C PHE A 66 -24.663 45.234 3.526 1.00 0.00 ATOM 497 N GLU A 67 -25.476 44.382 2.880 1.00 0.00 ATOM 498 CA GLU A 67 -26.490 43.576 3.588 1.00 0.00 ATOM 499 CB GLU A 67 -27.824 43.531 2.825 1.00 0.00 ATOM 500 CG GLU A 67 -28.401 44.911 2.598 1.00 0.00 ATOM 501 CD GLU A 67 -29.708 44.860 1.860 1.00 0.00 ATOM 502 OE1 GLU A 67 -30.213 43.750 1.673 1.00 0.00 ATOM 503 OE2 GLU A 67 -30.214 45.918 1.453 1.00 0.00 ATOM 504 O GLU A 67 -26.689 41.381 4.572 1.00 0.00 ATOM 505 C GLU A 67 -25.991 42.150 3.931 1.00 0.00 ATOM 506 N TYR A 68 -24.763 41.831 3.544 1.00 0.00 ATOM 507 CA TYR A 68 -24.175 40.495 3.822 1.00 0.00 ATOM 508 CB TYR A 68 -22.733 40.394 3.246 1.00 0.00 ATOM 509 CG TYR A 68 -22.241 38.965 3.245 1.00 0.00 ATOM 510 CD1 TYR A 68 -22.359 38.172 2.085 1.00 0.00 ATOM 511 CD2 TYR A 68 -21.782 38.362 4.427 1.00 0.00 ATOM 512 CE1 TYR A 68 -22.007 36.836 2.085 1.00 0.00 ATOM 513 CE2 TYR A 68 -21.442 37.000 4.451 1.00 0.00 ATOM 514 CZ TYR A 68 -21.529 36.270 3.269 1.00 0.00 ATOM 515 OH TYR A 68 -21.166 34.983 3.272 1.00 0.00 ATOM 516 O TYR A 68 -23.814 41.062 6.129 1.00 0.00 ATOM 517 C TYR A 68 -24.210 40.208 5.365 1.00 0.00 ATOM 518 N PRO A 69 -24.695 39.006 5.800 1.00 0.00 ATOM 519 CA PRO A 69 -24.810 38.731 7.241 1.00 0.00 ATOM 520 CB PRO A 69 -25.777 37.530 7.282 1.00 0.00 ATOM 521 CG PRO A 69 -25.437 36.749 6.022 1.00 0.00 ATOM 522 CD PRO A 69 -25.206 37.865 4.980 1.00 0.00 ATOM 523 O PRO A 69 -23.228 37.286 8.421 1.00 0.00 ATOM 524 C PRO A 69 -23.449 38.401 7.905 1.00 0.00 ATOM 525 N ASN A 70 -22.532 39.361 7.899 1.00 0.00 ATOM 526 CA ASN A 70 -21.273 39.208 8.597 1.00 0.00 ATOM 527 CB ASN A 70 -20.294 38.275 7.866 1.00 0.00 ATOM 528 CG ASN A 70 -18.996 38.082 8.640 1.00 0.00 ATOM 529 ND2 ASN A 70 -18.804 36.895 9.223 1.00 0.00 ATOM 530 OD1 ASN A 70 -18.150 38.974 8.669 1.00 0.00 ATOM 531 O ASN A 70 -20.679 41.380 7.794 1.00 0.00 ATOM 532 C ASN A 70 -20.706 40.616 8.752 1.00 0.00 ATOM 533 N MET A 71 -20.320 40.979 9.956 1.00 0.00 ATOM 534 CA MET A 71 -19.989 42.392 10.222 1.00 0.00 ATOM 535 CB MET A 71 -19.981 42.683 11.730 1.00 0.00 ATOM 536 CG MET A 71 -20.031 44.194 12.068 1.00 0.00 ATOM 537 SD MET A 71 -21.768 44.992 11.338 1.00 0.00 ATOM 538 CE MET A 71 -23.076 44.402 12.702 1.00 0.00 ATOM 539 O MET A 71 -18.391 43.897 9.211 1.00 0.00 ATOM 540 C MET A 71 -18.630 42.741 9.633 1.00 0.00 ATOM 541 N GLN A 72 -17.728 41.769 9.609 1.00 0.00 ATOM 542 CA GLN A 72 -16.450 42.000 8.951 1.00 0.00 ATOM 543 CB GLN A 72 -15.478 40.828 9.212 1.00 0.00 ATOM 544 CG GLN A 72 -13.999 41.064 8.675 1.00 0.00 ATOM 545 CD GLN A 72 -13.222 42.087 9.495 1.00 0.00 ATOM 546 OE1 GLN A 72 -13.714 42.581 10.511 1.00 0.00 ATOM 547 NE2 GLN A 72 -11.974 42.373 9.075 1.00 0.00 ATOM 548 O GLN A 72 -15.921 43.114 6.879 1.00 0.00 ATOM 549 C GLN A 72 -16.619 42.267 7.443 1.00 0.00 ATOM 550 N VAL A 73 -17.512 41.511 6.785 1.00 0.00 ATOM 551 CA VAL A 73 -17.789 41.706 5.364 1.00 0.00 ATOM 552 CB VAL A 73 -18.776 40.624 4.804 1.00 0.00 ATOM 553 CG1 VAL A 73 -19.084 40.841 3.323 1.00 0.00 ATOM 554 CG2 VAL A 73 -18.125 39.229 4.946 1.00 0.00 ATOM 555 O VAL A 73 -17.851 43.858 4.310 1.00 0.00 ATOM 556 C VAL A 73 -18.328 43.133 5.171 1.00 0.00 ATOM 557 N ARG A 74 -19.324 43.509 5.967 1.00 0.00 ATOM 558 CA ARG A 74 -19.936 44.817 5.833 1.00 0.00 ATOM 559 CB ARG A 74 -21.078 44.972 6.850 1.00 0.00 ATOM 560 CG ARG A 74 -22.268 44.036 6.574 1.00 0.00 ATOM 561 CD ARG A 74 -23.482 44.420 7.457 1.00 0.00 ATOM 562 NE ARG A 74 -24.629 43.540 7.165 1.00 0.00 ATOM 563 CZ ARG A 74 -25.887 43.777 7.505 1.00 0.00 ATOM 564 NH1 ARG A 74 -26.220 44.881 8.150 1.00 0.00 ATOM 565 NH2 ARG A 74 -26.843 42.898 7.189 1.00 0.00 ATOM 566 O ARG A 74 -18.939 46.918 5.278 1.00 0.00 ATOM 567 C ARG A 74 -18.914 45.936 6.029 1.00 0.00 ATOM 568 N LEU A 75 -18.080 45.808 7.074 1.00 0.00 ATOM 569 CA LEU A 75 -17.032 46.791 7.398 1.00 0.00 ATOM 570 CB LEU A 75 -16.237 46.383 8.668 1.00 0.00 ATOM 571 CG LEU A 75 -14.987 47.234 8.975 1.00 0.00 ATOM 572 CD1 LEU A 75 -15.353 48.628 9.388 1.00 0.00 ATOM 573 CD2 LEU A 75 -14.241 46.540 10.125 1.00 0.00 ATOM 574 O LEU A 75 -15.765 48.086 5.799 1.00 0.00 ATOM 575 C LEU A 75 -16.050 46.974 6.248 1.00 0.00 ATOM 576 N GLN A 76 -15.521 45.868 5.768 1.00 0.00 ATOM 577 CA GLN A 76 -14.514 45.922 4.729 1.00 0.00 ATOM 578 CB GLN A 76 -13.840 44.557 4.540 1.00 0.00 ATOM 579 CG GLN A 76 -12.873 44.212 5.707 1.00 0.00 ATOM 580 CD GLN A 76 -11.948 45.361 6.042 1.00 0.00 ATOM 581 OE1 GLN A 76 -11.213 45.832 5.191 1.00 0.00 ATOM 582 NE2 GLN A 76 -11.988 45.820 7.289 1.00 0.00 ATOM 583 O GLN A 76 -14.433 47.167 2.714 1.00 0.00 ATOM 584 C GLN A 76 -15.093 46.445 3.420 1.00 0.00 ATOM 585 N ALA A 77 -16.320 46.051 3.115 1.00 0.00 ATOM 586 CA ALA A 77 -17.003 46.523 1.905 1.00 0.00 ATOM 587 CB ALA A 77 -18.364 45.759 1.675 1.00 0.00 ATOM 588 O ALA A 77 -17.022 48.742 0.962 1.00 0.00 ATOM 589 C ALA A 77 -17.239 48.049 1.960 1.00 0.00 ATOM 590 N ALA A 78 -17.616 48.562 3.125 1.00 0.00 ATOM 591 CA ALA A 78 -17.814 49.986 3.294 1.00 0.00 ATOM 592 CB ALA A 78 -18.570 50.277 4.604 1.00 0.00 ATOM 593 O ALA A 78 -16.358 51.761 2.586 1.00 0.00 ATOM 594 C ALA A 78 -16.487 50.724 3.249 1.00 0.00 ATOM 595 N LYS A 79 -15.464 50.186 3.916 1.00 0.00 ATOM 596 CA LYS A 79 -14.132 50.829 3.825 1.00 0.00 ATOM 597 CB LYS A 79 -13.100 50.136 4.725 1.00 0.00 ATOM 598 CG LYS A 79 -13.300 50.465 6.191 1.00 0.00 ATOM 599 CD LYS A 79 -12.531 49.572 7.117 1.00 0.00 ATOM 600 CE LYS A 79 -11.054 49.878 7.169 1.00 0.00 ATOM 601 NZ LYS A 79 -10.390 48.775 7.991 1.00 0.00 ATOM 602 O LYS A 79 -13.043 51.918 2.001 1.00 0.00 ATOM 603 C LYS A 79 -13.602 50.914 2.396 1.00 0.00 ATOM 604 N LEU A 80 -13.814 49.875 1.619 1.00 0.00 ATOM 605 CA LEU A 80 -13.255 49.803 0.255 1.00 0.00 ATOM 606 CB LEU A 80 -12.959 48.322 -0.127 1.00 0.00 ATOM 607 CG LEU A 80 -11.683 47.790 0.564 1.00 0.00 ATOM 608 CD1 LEU A 80 -11.527 46.269 0.428 1.00 0.00 ATOM 609 CD2 LEU A 80 -10.475 48.463 -0.039 1.00 0.00 ATOM 610 O LEU A 80 -13.794 50.469 -1.997 1.00 0.00 ATOM 611 C LEU A 80 -14.151 50.441 -0.808 1.00 0.00 ATOM 612 N THR A 81 -15.320 50.939 -0.406 1.00 0.00 ATOM 613 CA THR A 81 -16.145 51.693 -1.345 1.00 0.00 ATOM 614 CB THR A 81 -17.566 51.098 -1.502 1.00 0.00 ATOM 615 CG2 THR A 81 -17.503 49.743 -2.143 1.00 0.00 ATOM 616 OG1 THR A 81 -18.200 50.955 -0.224 1.00 0.00 ATOM 617 O THR A 81 -16.990 53.910 -1.686 1.00 0.00 ATOM 618 C THR A 81 -16.222 53.184 -1.031 1.00 0.00 ATOM 619 N LEU A 82 -15.467 53.661 -0.044 1.00 0.00 ATOM 620 CA LEU A 82 -15.498 55.108 0.266 1.00 0.00 ATOM 621 CB LEU A 82 -14.592 55.472 1.446 1.00 0.00 ATOM 622 CG LEU A 82 -15.136 55.118 2.837 1.00 0.00 ATOM 623 CD1 LEU A 82 -13.948 54.905 3.817 1.00 0.00 ATOM 624 CD2 LEU A 82 -16.032 56.247 3.317 1.00 0.00 ATOM 625 O LEU A 82 -15.645 57.053 -1.100 1.00 0.00 ATOM 626 C LEU A 82 -15.126 55.969 -0.948 1.00 0.00 ATOM 627 N ALA A 83 -14.251 55.471 -1.820 1.00 0.00 ATOM 628 CA ALA A 83 -13.839 56.270 -2.963 1.00 0.00 ATOM 629 CB ALA A 83 -12.524 55.760 -3.553 1.00 0.00 ATOM 630 O ALA A 83 -15.147 57.365 -4.608 1.00 0.00 ATOM 631 C ALA A 83 -14.918 56.315 -4.024 1.00 0.00 ATOM 632 N VAL A 84 -15.580 55.188 -4.282 1.00 0.00 ATOM 633 CA VAL A 84 -16.537 55.124 -5.387 1.00 0.00 ATOM 634 CB VAL A 84 -16.563 53.735 -6.086 1.00 0.00 ATOM 635 CG1 VAL A 84 -15.214 53.425 -6.706 1.00 0.00 ATOM 636 CG2 VAL A 84 -17.011 52.593 -5.108 1.00 0.00 ATOM 637 O VAL A 84 -18.779 55.828 -5.834 1.00 0.00 ATOM 638 C VAL A 84 -17.948 55.533 -4.975 1.00 0.00 ATOM 639 N ALA A 85 -18.234 55.525 -3.671 1.00 0.00 ATOM 640 CA ALA A 85 -19.593 55.800 -3.173 1.00 0.00 ATOM 641 CB ALA A 85 -20.427 54.524 -3.157 1.00 0.00 ATOM 642 O ALA A 85 -19.830 55.713 -0.784 1.00 0.00 ATOM 643 C ALA A 85 -19.483 56.388 -1.772 1.00 0.00 ATOM 644 N PRO A 86 -18.950 57.626 -1.669 1.00 0.00 ATOM 645 CA PRO A 86 -18.615 58.128 -0.330 1.00 0.00 ATOM 646 CB PRO A 86 -17.978 59.512 -0.596 1.00 0.00 ATOM 647 CG PRO A 86 -18.387 59.890 -1.960 1.00 0.00 ATOM 648 CD PRO A 86 -18.593 58.599 -2.729 1.00 0.00 ATOM 649 O PRO A 86 -19.679 57.916 1.781 1.00 0.00 ATOM 650 C PRO A 86 -19.809 58.244 0.594 1.00 0.00 ATOM 651 N VAL A 87 -20.952 58.691 0.059 1.00 0.00 ATOM 652 CA VAL A 87 -22.181 58.862 0.849 1.00 0.00 ATOM 653 CB VAL A 87 -23.293 59.612 0.058 1.00 0.00 ATOM 654 CG1 VAL A 87 -24.661 59.476 0.759 1.00 0.00 ATOM 655 CG2 VAL A 87 -22.921 61.089 -0.133 1.00 0.00 ATOM 656 O VAL A 87 -22.897 57.359 2.616 1.00 0.00 ATOM 657 C VAL A 87 -22.710 57.511 1.395 1.00 0.00 ATOM 658 N LYS A 88 -22.954 56.555 0.496 1.00 0.00 ATOM 659 CA LYS A 88 -23.375 55.190 0.865 1.00 0.00 ATOM 660 CB LYS A 88 -23.573 54.326 -0.388 1.00 0.00 ATOM 661 CG LYS A 88 -24.874 54.576 -1.174 1.00 0.00 ATOM 662 CD LYS A 88 -24.875 53.769 -2.483 1.00 0.00 ATOM 663 CE LYS A 88 -25.737 54.445 -3.576 1.00 0.00 ATOM 664 NZ LYS A 88 -25.416 53.914 -4.963 1.00 0.00 ATOM 665 O LYS A 88 -22.813 53.859 2.812 1.00 0.00 ATOM 666 C LYS A 88 -22.395 54.496 1.827 1.00 0.00 ATOM 667 N ALA A 89 -21.109 54.561 1.511 1.00 0.00 ATOM 668 CA ALA A 89 -20.078 53.949 2.358 1.00 0.00 ATOM 669 CB ALA A 89 -18.685 54.010 1.704 1.00 0.00 ATOM 670 O ALA A 89 -20.010 53.839 4.758 1.00 0.00 ATOM 671 C ALA A 89 -20.059 54.569 3.758 1.00 0.00 ATOM 672 N ARG A 90 -20.107 55.896 3.830 1.00 0.00 ATOM 673 CA ARG A 90 -20.105 56.611 5.109 1.00 0.00 ATOM 674 CB ARG A 90 -20.044 58.148 4.906 1.00 0.00 ATOM 675 CG ARG A 90 -20.151 58.892 6.225 1.00 0.00 ATOM 676 CD ARG A 90 -19.998 60.430 6.187 1.00 0.00 ATOM 677 NE ARG A 90 -19.674 60.829 7.567 1.00 0.00 ATOM 678 CZ ARG A 90 -18.462 61.169 8.015 1.00 0.00 ATOM 679 NH1 ARG A 90 -17.417 61.229 7.184 1.00 0.00 ATOM 680 NH2 ARG A 90 -18.310 61.473 9.304 1.00 0.00 ATOM 681 O ARG A 90 -21.246 55.937 7.150 1.00 0.00 ATOM 682 C ARG A 90 -21.351 56.197 5.953 1.00 0.00 ATOM 683 N GLU A 91 -22.513 56.147 5.302 1.00 0.00 ATOM 684 CA GLU A 91 -23.761 55.700 5.938 1.00 0.00 ATOM 685 CB GLU A 91 -24.902 55.762 4.921 1.00 0.00 ATOM 686 CG GLU A 91 -26.294 55.332 5.458 1.00 0.00 ATOM 687 CD GLU A 91 -27.400 55.262 4.364 1.00 0.00 ATOM 688 OE1 GLU A 91 -27.169 54.661 3.270 1.00 0.00 ATOM 689 OE2 GLU A 91 -28.519 55.799 4.628 1.00 0.00 ATOM 690 O GLU A 91 -24.126 54.045 7.674 1.00 0.00 ATOM 691 C GLU A 91 -23.647 54.291 6.553 1.00 0.00 ATOM 692 N GLN A 92 -23.047 53.364 5.819 1.00 0.00 ATOM 693 CA GLN A 92 -22.819 52.020 6.344 1.00 0.00 ATOM 694 CB GLN A 92 -22.359 51.044 5.255 1.00 0.00 ATOM 695 CG GLN A 92 -22.046 49.607 5.754 1.00 0.00 ATOM 696 CD GLN A 92 -23.193 48.914 6.452 1.00 0.00 ATOM 697 OE1 GLN A 92 -24.387 49.162 6.163 1.00 0.00 ATOM 698 NE2 GLN A 92 -22.850 48.040 7.393 1.00 0.00 ATOM 699 O GLN A 92 -22.086 51.438 8.533 1.00 0.00 ATOM 700 C GLN A 92 -21.829 52.044 7.517 1.00 0.00 ATOM 701 N LEU A 93 -20.757 52.811 7.420 1.00 0.00 ATOM 702 CA LEU A 93 -19.836 52.866 8.538 1.00 0.00 ATOM 703 CB LEU A 93 -18.601 53.706 8.192 1.00 0.00 ATOM 704 CG LEU A 93 -17.633 53.176 7.133 1.00 0.00 ATOM 705 CD1 LEU A 93 -16.551 54.235 6.857 1.00 0.00 ATOM 706 CD2 LEU A 93 -16.978 51.850 7.637 1.00 0.00 ATOM 707 O LEU A 93 -20.245 52.948 10.863 1.00 0.00 ATOM 708 C LEU A 93 -20.531 53.402 9.768 1.00 0.00 ATOM 709 N GLU A 94 -21.412 54.399 9.582 1.00 0.00 ATOM 710 CA GLU A 94 -22.156 55.008 10.670 1.00 0.00 ATOM 711 CB GLU A 94 -22.921 56.250 10.202 1.00 0.00 ATOM 712 CG GLU A 94 -21.951 57.448 9.950 1.00 0.00 ATOM 713 CD GLU A 94 -22.584 58.686 9.319 1.00 0.00 ATOM 714 OE1 GLU A 94 -23.669 58.606 8.676 1.00 0.00 ATOM 715 OE2 GLU A 94 -21.945 59.752 9.442 1.00 0.00 ATOM 716 O GLU A 94 -23.147 53.962 12.526 1.00 0.00 ATOM 717 C GLU A 94 -23.075 53.989 11.323 1.00 0.00 ATOM 718 N ALA A 95 -23.773 53.178 10.526 1.00 0.00 ATOM 719 CA ALA A 95 -24.598 52.025 11.024 1.00 0.00 ATOM 720 CB ALA A 95 -25.324 51.347 9.866 1.00 0.00 ATOM 721 O ALA A 95 -24.267 50.480 12.827 1.00 0.00 ATOM 722 C ALA A 95 -23.791 50.988 11.816 1.00 0.00 ATOM 723 N ILE A 96 -22.600 50.634 11.319 1.00 0.00 ATOM 724 CA ILE A 96 -21.682 49.771 12.076 1.00 0.00 ATOM 725 CB ILE A 96 -20.432 49.349 11.221 1.00 0.00 ATOM 726 CG1 ILE A 96 -20.915 48.624 9.950 1.00 0.00 ATOM 727 CG2 ILE A 96 -19.430 48.458 12.079 1.00 0.00 ATOM 728 CD1 ILE A 96 -19.735 48.306 8.960 1.00 0.00 ATOM 729 O ILE A 96 -21.446 49.737 14.476 1.00 0.00 ATOM 730 C ILE A 96 -21.300 50.390 13.438 1.00 0.00 ATOM 731 N VAL A 97 -20.823 51.644 13.459 1.00 0.00 ATOM 732 CA VAL A 97 -20.681 52.352 14.759 1.00 0.00 ATOM 733 CB VAL A 97 -20.292 53.837 14.566 1.00 0.00 ATOM 734 CG1 VAL A 97 -20.270 54.568 15.881 1.00 0.00 ATOM 735 CG2 VAL A 97 -18.938 53.941 13.901 1.00 0.00 ATOM 736 O VAL A 97 -21.850 51.922 16.802 1.00 0.00 ATOM 737 C VAL A 97 -21.955 52.260 15.631 1.00 0.00 ATOM 738 N SER A 98 -23.131 52.609 15.094 1.00 0.00 ATOM 739 CA SER A 98 -24.391 52.581 15.881 1.00 0.00 ATOM 740 CB SER A 98 -25.578 52.995 15.037 1.00 0.00 ATOM 741 OG SER A 98 -25.446 54.341 14.709 1.00 0.00 ATOM 742 O SER A 98 -25.348 51.099 17.523 1.00 0.00 ATOM 743 C SER A 98 -24.705 51.213 16.458 1.00 0.00 ATOM 744 N SER A 99 -24.243 50.176 15.774 1.00 0.00 ATOM 745 CA SER A 99 -24.562 48.791 16.211 1.00 0.00 ATOM 746 CB SER A 99 -24.306 47.760 15.089 1.00 0.00 ATOM 747 OG SER A 99 -22.918 47.537 14.909 1.00 0.00 ATOM 748 O SER A 99 -24.182 47.430 18.136 1.00 0.00 ATOM 749 C SER A 99 -23.786 48.388 17.478 1.00 0.00 ATOM 750 N LYS A 100 -22.668 49.085 17.773 1.00 0.00 ATOM 751 CA LYS A 100 -21.849 48.822 18.952 1.00 0.00 ATOM 752 CB LYS A 100 -22.641 49.121 20.253 1.00 0.00 ATOM 753 CG LYS A 100 -23.205 50.548 20.322 1.00 0.00 ATOM 754 CD LYS A 100 -24.121 50.794 21.522 1.00 0.00 ATOM 755 CE LYS A 100 -25.515 50.073 21.411 1.00 0.00 ATOM 756 NZ LYS A 100 -26.513 50.297 22.607 1.00 0.00 ATOM 757 O LYS A 100 -21.068 46.788 19.982 1.00 0.00 ATOM 758 C LYS A 100 -21.314 47.391 18.930 1.00 0.00 ATOM 759 N TRP A 101 -21.143 46.846 17.719 1.00 0.00 ATOM 760 CA TRP A 101 -20.644 45.506 17.521 1.00 0.00 ATOM 761 CB TRP A 101 -21.197 44.982 16.206 1.00 0.00 ATOM 762 CG TRP A 101 -20.847 43.579 15.791 1.00 0.00 ATOM 763 CD1 TRP A 101 -19.614 43.045 15.485 1.00 0.00 ATOM 764 CD2 TRP A 101 -21.806 42.557 15.545 1.00 0.00 ATOM 765 CE2 TRP A 101 -21.105 41.427 15.070 1.00 0.00 ATOM 766 CE3 TRP A 101 -23.207 42.520 15.618 1.00 0.00 ATOM 767 NE1 TRP A 101 -19.766 41.732 15.081 1.00 0.00 ATOM 768 CZ2 TRP A 101 -21.745 40.238 14.752 1.00 0.00 ATOM 769 CZ3 TRP A 101 -23.865 41.314 15.273 1.00 0.00 ATOM 770 CH2 TRP A 101 -23.127 40.214 14.819 1.00 0.00 ATOM 771 O TRP A 101 -18.583 45.934 16.423 1.00 0.00 ATOM 772 C TRP A 101 -19.131 45.549 17.435 1.00 0.00 ATOM 773 N PHE A 102 -18.469 45.077 18.475 1.00 0.00 ATOM 774 CA PHE A 102 -17.023 45.214 18.542 1.00 0.00 ATOM 775 CB PHE A 102 -16.606 45.765 19.920 1.00 0.00 ATOM 776 CG PHE A 102 -16.961 47.253 20.092 1.00 0.00 ATOM 777 CD1 PHE A 102 -17.933 47.648 20.999 1.00 0.00 ATOM 778 CD2 PHE A 102 -16.354 48.237 19.280 1.00 0.00 ATOM 779 CE1 PHE A 102 -18.276 48.980 21.143 1.00 0.00 ATOM 780 CE2 PHE A 102 -16.714 49.586 19.424 1.00 0.00 ATOM 781 CZ PHE A 102 -17.673 49.951 20.349 1.00 0.00 ATOM 782 O PHE A 102 -16.816 42.802 18.353 1.00 0.00 ATOM 783 C PHE A 102 -16.311 43.907 18.121 1.00 0.00 ATOM 784 N PRO A 103 -15.128 44.029 17.512 1.00 0.00 ATOM 785 CA PRO A 103 -14.321 45.260 17.332 1.00 0.00 ATOM 786 CB PRO A 103 -12.896 44.682 17.302 1.00 0.00 ATOM 787 CG PRO A 103 -13.064 43.439 16.495 1.00 0.00 ATOM 788 CD PRO A 103 -14.417 42.846 16.971 1.00 0.00 ATOM 789 O PRO A 103 -14.023 47.142 15.851 1.00 0.00 ATOM 790 C PRO A 103 -14.601 46.062 16.028 1.00 0.00 ATOM 791 N GLN A 104 -15.452 45.541 15.126 1.00 0.00 ATOM 792 CA GLN A 104 -15.747 46.236 13.859 1.00 0.00 ATOM 793 CB GLN A 104 -16.814 45.493 13.020 1.00 0.00 ATOM 794 CG GLN A 104 -16.225 44.224 12.314 1.00 0.00 ATOM 795 CD GLN A 104 -15.990 43.059 13.280 1.00 0.00 ATOM 796 OE1 GLN A 104 -16.570 42.995 14.374 1.00 0.00 ATOM 797 NE2 GLN A 104 -15.128 42.131 12.881 1.00 0.00 ATOM 798 O GLN A 104 -15.822 48.576 13.311 1.00 0.00 ATOM 799 C GLN A 104 -16.218 47.684 14.080 1.00 0.00 ATOM 800 N ALA A 105 -17.062 47.900 15.096 1.00 0.00 ATOM 801 CA ALA A 105 -17.572 49.260 15.395 1.00 0.00 ATOM 802 CB ALA A 105 -18.592 49.203 16.496 1.00 0.00 ATOM 803 O ALA A 105 -16.573 51.450 15.501 1.00 0.00 ATOM 804 C ALA A 105 -16.450 50.253 15.763 1.00 0.00 ATOM 805 N GLY A 106 -15.343 49.759 16.330 1.00 0.00 ATOM 806 CA GLY A 106 -14.237 50.655 16.749 1.00 0.00 ATOM 807 O GLY A 106 -12.951 52.116 15.358 1.00 0.00 ATOM 808 C GLY A 106 -13.407 50.986 15.526 1.00 0.00 ATOM 809 N ASP A 107 -13.246 49.994 14.646 1.00 0.00 ATOM 810 CA ASP A 107 -12.536 50.158 13.377 1.00 0.00 ATOM 811 CB ASP A 107 -12.430 48.779 12.679 1.00 0.00 ATOM 812 CG ASP A 107 -11.574 48.769 11.427 1.00 0.00 ATOM 813 OD1 ASP A 107 -11.601 49.695 10.586 1.00 0.00 ATOM 814 OD2 ASP A 107 -10.900 47.747 11.202 1.00 0.00 ATOM 815 O ASP A 107 -12.741 52.121 11.997 1.00 0.00 ATOM 816 C ASP A 107 -13.329 51.195 12.543 1.00 0.00 ATOM 817 N ALA A 108 -14.657 51.061 12.474 1.00 0.00 ATOM 818 CA ALA A 108 -15.486 51.993 11.688 1.00 0.00 ATOM 819 CB ALA A 108 -16.894 51.465 11.554 1.00 0.00 ATOM 820 O ALA A 108 -15.416 54.354 11.501 1.00 0.00 ATOM 821 C ALA A 108 -15.468 53.398 12.256 1.00 0.00 ATOM 822 N GLY A 109 -15.468 53.500 13.595 1.00 0.00 ATOM 823 CA GLY A 109 -15.370 54.759 14.324 1.00 0.00 ATOM 824 O GLY A 109 -14.103 56.692 13.667 1.00 0.00 ATOM 825 C GLY A 109 -14.073 55.487 13.994 1.00 0.00 ATOM 826 N MET A 110 -12.944 54.766 14.049 1.00 0.00 ATOM 827 CA MET A 110 -11.636 55.320 13.681 1.00 0.00 ATOM 828 CB MET A 110 -10.510 54.334 14.026 1.00 0.00 ATOM 829 CG MET A 110 -9.066 54.841 13.769 1.00 0.00 ATOM 830 SD MET A 110 -8.181 55.903 15.234 1.00 0.00 ATOM 831 CE MET A 110 -8.784 57.682 14.746 1.00 0.00 ATOM 832 O MET A 110 -11.040 56.859 11.895 1.00 0.00 ATOM 833 C MET A 110 -11.579 55.776 12.199 1.00 0.00 ATOM 834 N CYS A 111 -12.155 54.971 11.295 1.00 0.00 ATOM 835 CA CYS A 111 -12.270 55.337 9.886 1.00 0.00 ATOM 836 CB CYS A 111 -13.015 54.273 9.083 1.00 0.00 ATOM 837 SG CYS A 111 -12.807 54.526 7.343 1.00 0.00 ATOM 838 O CYS A 111 -12.520 57.535 8.970 1.00 0.00 ATOM 839 C CYS A 111 -12.986 56.673 9.709 1.00 0.00 ATOM 840 N LEU A 112 -14.118 56.818 10.386 1.00 0.00 ATOM 841 CA LEU A 112 -14.897 58.030 10.319 1.00 0.00 ATOM 842 CB LEU A 112 -16.262 57.788 10.962 1.00 0.00 ATOM 843 CG LEU A 112 -17.240 56.908 10.203 1.00 0.00 ATOM 844 CD1 LEU A 112 -18.479 56.673 11.099 1.00 0.00 ATOM 845 CD2 LEU A 112 -17.612 57.481 8.820 1.00 0.00 ATOM 846 O LEU A 112 -14.191 60.356 10.419 1.00 0.00 ATOM 847 C LEU A 112 -14.148 59.242 10.955 1.00 0.00 ATOM 848 N ASP A 113 -13.434 59.017 12.048 1.00 0.00 ATOM 849 CA ASP A 113 -12.562 60.073 12.646 1.00 0.00 ATOM 850 CB ASP A 113 -11.885 59.570 13.940 1.00 0.00 ATOM 851 CG ASP A 113 -12.890 59.344 15.079 1.00 0.00 ATOM 852 OD1 ASP A 113 -14.019 59.883 14.986 1.00 0.00 ATOM 853 OD2 ASP A 113 -12.577 58.614 16.054 1.00 0.00 ATOM 854 O ASP A 113 -11.360 61.758 11.423 1.00 0.00 ATOM 855 C ASP A 113 -11.514 60.564 11.634 1.00 0.00 ATOM 856 N LEU A 114 -10.845 59.628 10.964 1.00 0.00 ATOM 857 CA LEU A 114 -9.842 59.962 9.969 1.00 0.00 ATOM 858 CB LEU A 114 -9.144 58.683 9.471 1.00 0.00 ATOM 859 CG LEU A 114 -8.232 57.955 10.475 1.00 0.00 ATOM 860 CD1 LEU A 114 -7.949 56.506 10.040 1.00 0.00 ATOM 861 CD2 LEU A 114 -6.968 58.771 10.557 1.00 0.00 ATOM 862 O LEU A 114 -9.924 61.676 8.311 1.00 0.00 ATOM 863 C LEU A 114 -10.482 60.718 8.804 1.00 0.00 ATOM 864 N LEU A 115 -11.661 60.266 8.376 1.00 0.00 ATOM 865 CA LEU A 115 -12.409 60.938 7.309 1.00 0.00 ATOM 866 CB LEU A 115 -13.694 60.148 7.002 1.00 0.00 ATOM 867 CG LEU A 115 -13.486 58.926 6.136 1.00 0.00 ATOM 868 CD1 LEU A 115 -14.759 58.099 6.043 1.00 0.00 ATOM 869 CD2 LEU A 115 -12.986 59.356 4.748 1.00 0.00 ATOM 870 O LEU A 115 -12.750 63.256 6.821 1.00 0.00 ATOM 871 C LEU A 115 -12.784 62.374 7.665 1.00 0.00 ATOM 872 N ASP A 116 -13.171 62.584 8.913 1.00 0.00 ATOM 873 CA ASP A 116 -13.555 63.904 9.414 1.00 0.00 ATOM 874 CB ASP A 116 -14.355 63.785 10.722 1.00 0.00 ATOM 875 CG ASP A 116 -15.723 63.127 10.513 1.00 0.00 ATOM 876 OD1 ASP A 116 -16.249 63.193 9.384 1.00 0.00 ATOM 877 OD2 ASP A 116 -16.284 62.556 11.479 1.00 0.00 ATOM 878 O ASP A 116 -12.523 66.058 9.491 1.00 0.00 ATOM 879 C ASP A 116 -12.356 64.847 9.576 1.00 0.00 ATOM 880 N ASP A 117 -11.170 64.281 9.819 1.00 0.00 ATOM 881 CA ASP A 117 -9.922 65.052 9.880 1.00 0.00 ATOM 882 CB ASP A 117 -8.763 64.200 10.434 1.00 0.00 ATOM 883 CG ASP A 117 -7.425 64.968 10.495 1.00 0.00 ATOM 884 OD1 ASP A 117 -7.276 65.880 11.341 1.00 0.00 ATOM 885 OD2 ASP A 117 -6.512 64.641 9.709 1.00 0.00 ATOM 886 O ASP A 117 -9.111 66.758 8.392 1.00 0.00 ATOM 887 C ASP A 117 -9.573 65.631 8.496 1.00 0.00 ATOM 888 N GLY A 118 -9.789 64.836 7.450 1.00 0.00 ATOM 889 CA GLY A 118 -9.617 65.262 6.077 1.00 0.00 ATOM 890 O GLY A 118 -8.082 65.253 4.259 1.00 0.00 ATOM 891 C GLY A 118 -8.236 65.079 5.485 1.00 0.00 ATOM 892 N THR A 119 -7.217 64.794 6.317 1.00 0.00 ATOM 893 CA THR A 119 -5.852 64.496 5.791 1.00 0.00 ATOM 894 CB THR A 119 -4.720 64.481 6.881 1.00 0.00 ATOM 895 CG2 THR A 119 -3.303 64.326 6.247 1.00 0.00 ATOM 896 OG1 THR A 119 -4.731 65.709 7.621 1.00 0.00 ATOM 897 O THR A 119 -5.283 62.953 4.015 1.00 0.00 ATOM 898 C THR A 119 -5.924 63.147 5.058 1.00 0.00 ATOM 899 N PHE A 120 -6.743 62.248 5.613 1.00 0.00 ATOM 900 CA PHE A 120 -7.090 60.990 4.979 1.00 0.00 ATOM 901 CB PHE A 120 -7.301 59.909 6.051 1.00 0.00 ATOM 902 CG PHE A 120 -7.897 58.628 5.534 1.00 0.00 ATOM 903 CD1 PHE A 120 -7.124 57.721 4.809 1.00 0.00 ATOM 904 CD2 PHE A 120 -9.234 58.313 5.800 1.00 0.00 ATOM 905 CE1 PHE A 120 -7.701 56.500 4.346 1.00 0.00 ATOM 906 CE2 PHE A 120 -9.813 57.105 5.356 1.00 0.00 ATOM 907 CZ PHE A 120 -9.044 56.201 4.629 1.00 0.00 ATOM 908 O PHE A 120 -9.409 61.533 4.477 1.00 0.00 ATOM 909 C PHE A 120 -8.312 61.139 4.057 1.00 0.00 ATOM 910 N LYS A 121 -8.102 60.802 2.798 1.00 0.00 ATOM 911 CA LYS A 121 -9.163 60.810 1.822 1.00 0.00 ATOM 912 CB LYS A 121 -9.176 62.146 1.085 1.00 0.00 ATOM 913 O LYS A 121 -7.830 59.487 0.341 1.00 0.00 ATOM 914 C LYS A 121 -8.936 59.668 0.841 1.00 0.00 ATOM 915 N PRO A 122 -9.976 58.887 0.583 1.00 0.00 ATOM 916 CA PRO A 122 -9.883 57.792 -0.383 1.00 0.00 ATOM 917 CB PRO A 122 -10.950 56.813 0.104 1.00 0.00 ATOM 918 CG PRO A 122 -11.136 57.132 1.515 1.00 0.00 ATOM 919 CD PRO A 122 -10.990 58.609 1.604 1.00 0.00 ATOM 920 O PRO A 122 -11.201 58.916 -2.002 1.00 0.00 ATOM 921 C PRO A 122 -10.196 58.260 -1.789 1.00 0.00 ATOM 922 N LYS A 123 -9.314 57.953 -2.729 1.00 0.00 ATOM 923 CA LYS A 123 -9.382 56.724 -3.498 1.00 0.00 ATOM 924 O LYS A 123 -9.746 56.174 -5.791 1.00 0.00 ATOM 925 C LYS A 123 -9.932 56.978 -4.893 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 T0382.undertaker-align.pdb looking for model 1 # WARNING: incomplete conformation T0382 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:Warning: Couldn't open file decoys/align1.gdt for output # fraction of real conformation used = 0.800 # GDT_score = -46.042 # GDT_score(maxd=8.000,maxw=2.900)= -46.181 # GDT_score(maxd=8.000,maxw=3.200)= -44.973 # GDT_score(maxd=8.000,maxw=3.500)= -43.531 # GDT_score(maxd=10.000,maxw=3.800)= -45.172 # GDT_score(maxd=10.000,maxw=4.000)= -44.095 # GDT_score(maxd=10.000,maxw=4.200)= -42.944 # GDT_score(maxd=12.000,maxw=4.300)= -45.097 # GDT_score(maxd=12.000,maxw=4.500)= -43.950 # GDT_score(maxd=12.000,maxw=4.700)= -42.830 # GDT_score(maxd=14.000,maxw=5.200)= -42.230 # GDT_score(maxd=14.000,maxw=5.500)= -40.510 # command:# ReadConformPDB reading from PDB file T0382.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0382)E67.C and (T0382)P69.C only 0.000 apart, marking (T0382)P69.C as missing WARNING: atoms too close: (T0382)Y68.N and (T0382)N70.N only 0.000 apart, marking (T0382)Y68.N as missing WARNING: atoms too close: (T0382)Y68.CA and (T0382)N70.CA only 0.000 apart, marking (T0382)Y68.CA as missing # WARNING: incomplete conformation T0382 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:Warning: Couldn't open file decoys/align2.gdt for output # fraction of real conformation used = 0.683 # GDT_score = -18.750 # GDT_score(maxd=8.000,maxw=2.900)= -17.371 # GDT_score(maxd=8.000,maxw=3.200)= -16.914 # GDT_score(maxd=8.000,maxw=3.500)= -16.516 # GDT_score(maxd=10.000,maxw=3.800)= -17.975 # GDT_score(maxd=10.000,maxw=4.000)= -17.660 # GDT_score(maxd=10.000,maxw=4.200)= -17.374 # GDT_score(maxd=12.000,maxw=4.300)= -18.850 # GDT_score(maxd=12.000,maxw=4.500)= -18.530 # GDT_score(maxd=12.000,maxw=4.700)= -18.235 # GDT_score(maxd=14.000,maxw=5.200)= -18.834 # GDT_score(maxd=14.000,maxw=5.500)= -18.329 # command:# ReadConformPDB reading from PDB file T0382.undertaker-align.pdb looking for model 3 # WARNING: incomplete conformation T0382 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0382.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0382)L62.C and (T0382)E67.C only 0.000 apart, marking (T0382)E67.C as missing WARNING: atoms too close: (T0382)L63.N and (T0382)Y68.N only 0.000 apart, marking (T0382)L63.N as missing WARNING: atoms too close: (T0382)L63.CA and (T0382)Y68.CA only 0.000 apart, marking (T0382)L63.CA as missing # WARNING: incomplete conformation T0382 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0382.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0382)E67.C and (T0382)P69.C only 0.000 apart, marking (T0382)P69.C as missing WARNING: atoms too close: (T0382)Y68.N and (T0382)N70.N only 0.000 apart, marking (T0382)Y68.N as missing WARNING: atoms too close: (T0382)Y68.CA and (T0382)N70.CA only 0.000 apart, marking (T0382)Y68.CA as missing # WARNING: incomplete conformation T0382 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 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # Found a chain break before 108 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try1-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0382.try1-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0382.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try1-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 T0382.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try10-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try11-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0382.try11-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0382.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try11-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try12-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try12-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try13-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0382.try13-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0382.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try13-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 T0382.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 66 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try2-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 66 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try3-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0382.try3-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0382.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try3-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 T0382.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try4-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try4-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 T0382.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try5-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0382.try5-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0382.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try5-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 T0382.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try6-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 69 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 69 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 1 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try7-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 1 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 108 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try7-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 T0382.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try8-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0382.try8-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0382.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try8-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 T0382.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try9-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0382.try9-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0382.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0382.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0382 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1133903497.pdb -s /var/tmp/to_scwrl_1133903497.seq -o /var/tmp/from_scwrl_1133903497.pdb > /var/tmp/scwrl_1133903497.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1133903497.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 T0382 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_55939581.pdb -s /var/tmp/to_scwrl_55939581.seq -o /var/tmp/from_scwrl_55939581.pdb > /var/tmp/scwrl_55939581.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_55939581.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 # WARNING: incomplete conformation T0382 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_982640523.pdb -s /var/tmp/to_scwrl_982640523.seq -o /var/tmp/from_scwrl_982640523.pdb > /var/tmp/scwrl_982640523.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_982640523.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 T0382 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_161944928.pdb -s /var/tmp/to_scwrl_161944928.seq -o /var/tmp/from_scwrl_161944928.pdb > /var/tmp/scwrl_161944928.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_161944928.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 T0382 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1910386977.pdb -s /var/tmp/to_scwrl_1910386977.seq -o /var/tmp/from_scwrl_1910386977.pdb > /var/tmp/scwrl_1910386977.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1910386977.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 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_711284468.pdb -s /var/tmp/to_scwrl_711284468.seq -o /var/tmp/from_scwrl_711284468.pdb > /var/tmp/scwrl_711284468.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_711284468.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 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1409174617.pdb -s /var/tmp/to_scwrl_1409174617.seq -o /var/tmp/from_scwrl_1409174617.pdb > /var/tmp/scwrl_1409174617.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1409174617.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 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_2119969791.pdb -s /var/tmp/to_scwrl_2119969791.seq -o /var/tmp/from_scwrl_2119969791.pdb > /var/tmp/scwrl_2119969791.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2119969791.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 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1693216987.pdb -s /var/tmp/to_scwrl_1693216987.seq -o /var/tmp/from_scwrl_1693216987.pdb > /var/tmp/scwrl_1693216987.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1693216987.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 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_529675686.pdb -s /var/tmp/to_scwrl_529675686.seq -o /var/tmp/from_scwrl_529675686.pdb > /var/tmp/scwrl_529675686.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_529675686.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS5-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0382 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1683349100.pdb -s /var/tmp/to_scwrl_1683349100.seq -o /var/tmp/from_scwrl_1683349100.pdb > /var/tmp/scwrl_1683349100.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1683349100.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 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_632544379.pdb -s /var/tmp/to_scwrl_632544379.seq -o /var/tmp/from_scwrl_632544379.pdb > /var/tmp/scwrl_632544379.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_632544379.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS2-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # Found a chain break before 107 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_103159458.pdb -s /var/tmp/to_scwrl_103159458.seq -o /var/tmp/from_scwrl_103159458.pdb > /var/tmp/scwrl_103159458.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_103159458.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 68 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_641877734.pdb -s /var/tmp/to_scwrl_641877734.seq -o /var/tmp/from_scwrl_641877734.pdb > /var/tmp/scwrl_641877734.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_641877734.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 50 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_2045003306.pdb -s /var/tmp/to_scwrl_2045003306.seq -o /var/tmp/from_scwrl_2045003306.pdb > /var/tmp/scwrl_2045003306.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2045003306.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 107 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_359716539.pdb -s /var/tmp/to_scwrl_359716539.seq -o /var/tmp/from_scwrl_359716539.pdb > /var/tmp/scwrl_359716539.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_359716539.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS5.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1250016.pdb -s /var/tmp/to_scwrl_1250016.seq -o /var/tmp/from_scwrl_1250016.pdb > /var/tmp/scwrl_1250016.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1250016.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 107 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_23004332.pdb -s /var/tmp/to_scwrl_23004332.seq -o /var/tmp/from_scwrl_23004332.pdb > /var/tmp/scwrl_23004332.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_23004332.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 119 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1421331135.pdb -s /var/tmp/to_scwrl_1421331135.seq -o /var/tmp/from_scwrl_1421331135.pdb > /var/tmp/scwrl_1421331135.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1421331135.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 88 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1786103277.pdb -s /var/tmp/to_scwrl_1786103277.seq -o /var/tmp/from_scwrl_1786103277.pdb > /var/tmp/scwrl_1786103277.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1786103277.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 60 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1592502610.pdb -s /var/tmp/to_scwrl_1592502610.seq -o /var/tmp/from_scwrl_1592502610.pdb > /var/tmp/scwrl_1592502610.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1592502610.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 114 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_437582799.pdb -s /var/tmp/to_scwrl_437582799.seq -o /var/tmp/from_scwrl_437582799.pdb > /var/tmp/scwrl_437582799.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_437582799.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 113 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_134526502.pdb -s /var/tmp/to_scwrl_134526502.seq -o /var/tmp/from_scwrl_134526502.pdb > /var/tmp/scwrl_134526502.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_134526502.pdb # conformation set from SCWRL output # naming current conformation BayesHH_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS1.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1870854132.pdb -s /var/tmp/to_scwrl_1870854132.seq -o /var/tmp/from_scwrl_1870854132.pdb > /var/tmp/scwrl_1870854132.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1870854132.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS2.pdb.gz looking for model 1 # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1830564324.pdb -s /var/tmp/to_scwrl_1830564324.seq -o /var/tmp/from_scwrl_1830564324.pdb > /var/tmp/scwrl_1830564324.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1830564324.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 122 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_2043788258.pdb -s /var/tmp/to_scwrl_2043788258.seq -o /var/tmp/from_scwrl_2043788258.pdb > /var/tmp/scwrl_2043788258.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2043788258.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 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_281396694.pdb -s /var/tmp/to_scwrl_281396694.seq -o /var/tmp/from_scwrl_281396694.pdb > /var/tmp/scwrl_281396694.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_281396694.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 122 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_9950395.pdb -s /var/tmp/to_scwrl_9950395.seq -o /var/tmp/from_scwrl_9950395.pdb > /var/tmp/scwrl_9950395.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_9950395.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 117 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1647716831.pdb -s /var/tmp/to_scwrl_1647716831.seq -o /var/tmp/from_scwrl_1647716831.pdb > /var/tmp/scwrl_1647716831.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1647716831.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 121 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_295971650.pdb -s /var/tmp/to_scwrl_295971650.seq -o /var/tmp/from_scwrl_295971650.pdb > /var/tmp/scwrl_295971650.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_295971650.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 121 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_518571709.pdb -s /var/tmp/to_scwrl_518571709.seq -o /var/tmp/from_scwrl_518571709.pdb > /var/tmp/scwrl_518571709.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_518571709.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0382 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_634136683.pdb -s /var/tmp/to_scwrl_634136683.seq -o /var/tmp/from_scwrl_634136683.pdb > /var/tmp/scwrl_634136683.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_634136683.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 121 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_351911231.pdb -s /var/tmp/to_scwrl_351911231.seq -o /var/tmp/from_scwrl_351911231.pdb > /var/tmp/scwrl_351911231.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_351911231.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 T0382 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1501212232.pdb -s /var/tmp/to_scwrl_1501212232.seq -o /var/tmp/from_scwrl_1501212232.pdb > /var/tmp/scwrl_1501212232.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1501212232.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 T0382 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_796081611.pdb -s /var/tmp/to_scwrl_796081611.seq -o /var/tmp/from_scwrl_796081611.pdb > /var/tmp/scwrl_796081611.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_796081611.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 T0382 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_114814562.pdb -s /var/tmp/to_scwrl_114814562.seq -o /var/tmp/from_scwrl_114814562.pdb > /var/tmp/scwrl_114814562.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_114814562.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 WARNING: atoms too close: (T0382)Q72.C and (T0382)V73.N only 0.000 apart, marking (T0382)V73.N as missing WARNING: atoms too close: (T0382)V73.N and (T0382)V73.CA only 0.000 apart, marking (T0382)V73.CA as missing WARNING: atoms too close: (T0382)Q72.C and (T0382)V73.CA only 0.000 apart, marking (T0382)V73.CA as missing WARNING: atoms too close: (T0382)V73.CA and (T0382)V73.CB only 0.000 apart, marking (T0382)V73.CB as missing WARNING: atoms too close: (T0382)V73.N and (T0382)V73.CB only 0.000 apart, marking (T0382)V73.CB as missing WARNING: atoms too close: (T0382)Q72.C and (T0382)V73.CB only 0.000 apart, marking (T0382)V73.CB as missing WARNING: atoms too close: (T0382)V73.CB and (T0382)V73.CG1 only 0.000 apart, marking (T0382)V73.CG1 as missing WARNING: atoms too close: (T0382)V73.CA and (T0382)V73.CG1 only 0.000 apart, marking (T0382)V73.CG1 as missing WARNING: atoms too close: (T0382)V73.N and (T0382)V73.CG1 only 0.000 apart, marking (T0382)V73.CG1 as missing WARNING: atoms too close: (T0382)Q72.C and (T0382)V73.CG1 only 0.000 apart, marking (T0382)V73.CG1 as missing WARNING: atoms too close: (T0382)V73.CG1 and (T0382)V73.CG2 only 0.000 apart, marking (T0382)V73.CG2 as missing WARNING: atoms too close: (T0382)V73.CB and (T0382)V73.CG2 only 0.000 apart, marking (T0382)V73.CG2 as missing WARNING: atoms too close: (T0382)V73.CA and (T0382)V73.CG2 only 0.000 apart, marking (T0382)V73.CG2 as missing WARNING: atoms too close: (T0382)V73.N and (T0382)V73.CG2 only 0.000 apart, marking (T0382)V73.CG2 as missing WARNING: atoms too close: (T0382)Q72.C and (T0382)V73.CG2 only 0.000 apart, marking (T0382)V73.CG2 as missing WARNING: atoms too close: (T0382)V73.CG2 and (T0382)V73.O only 0.000 apart, marking (T0382)V73.O as missing WARNING: atoms too close: (T0382)V73.CG1 and (T0382)V73.O only 0.000 apart, marking (T0382)V73.O as missing WARNING: atoms too close: (T0382)V73.CB and (T0382)V73.O only 0.000 apart, marking (T0382)V73.O as missing WARNING: atoms too close: (T0382)V73.CA and (T0382)V73.O only 0.000 apart, marking (T0382)V73.O as missing WARNING: atoms too close: (T0382)V73.N and (T0382)V73.O only 0.000 apart, marking (T0382)V73.O as missing WARNING: atoms too close: (T0382)Q72.C and (T0382)V73.O only 0.000 apart, marking (T0382)V73.O as missing WARNING: atoms too close: (T0382)V73.O and (T0382)V73.C only 0.000 apart, marking (T0382)V73.C as missing WARNING: atoms too close: (T0382)V73.CG2 and (T0382)V73.C only 0.000 apart, marking (T0382)V73.C as missing WARNING: atoms too close: (T0382)V73.CG1 and (T0382)V73.C only 0.000 apart, marking (T0382)V73.C as missing WARNING: atoms too close: (T0382)V73.CB and (T0382)V73.C only 0.000 apart, marking (T0382)V73.C as missing WARNING: atoms too close: (T0382)V73.CA and (T0382)V73.C only 0.000 apart, marking (T0382)V73.C as missing WARNING: atoms too close: (T0382)V73.N and (T0382)V73.C only 0.000 apart, marking (T0382)V73.C as missing WARNING: atoms too close: (T0382)Q72.C and (T0382)V73.C only 0.000 apart, marking (T0382)V73.C as missing # WARNING: incomplete conformation T0382 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_65013053.pdb -s /var/tmp/to_scwrl_65013053.seq -o /var/tmp/from_scwrl_65013053.pdb > /var/tmp/scwrl_65013053.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_65013053.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 110 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_57772581.pdb -s /var/tmp/to_scwrl_57772581.seq -o /var/tmp/from_scwrl_57772581.pdb > /var/tmp/scwrl_57772581.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_57772581.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 T0382 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_87300706.pdb -s /var/tmp/to_scwrl_87300706.seq -o /var/tmp/from_scwrl_87300706.pdb > /var/tmp/scwrl_87300706.log Error: Couldn't open file /var/tmp/from_scwrl_87300706.pdb or /var/tmp/from_scwrl_87300706.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_87300706_b.pdb or decoys//var/tmp/from_scwrl_87300706_b.pdb.gz for input Trying /var/tmp/from_scwrl_87300706_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_87300706_b.pdb or /var/tmp/from_scwrl_87300706_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_87300706_a.pdb or decoys//var/tmp/from_scwrl_87300706_a.pdb.gz for input Trying /var/tmp/from_scwrl_87300706_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_87300706_a.pdb or /var/tmp/from_scwrl_87300706_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_87300706.pdb or /var/tmp/from_scwrl_87300706_b.pdb or /var/tmp/from_scwrl_87300706_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 T0382 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1758230041.pdb -s /var/tmp/to_scwrl_1758230041.seq -o /var/tmp/from_scwrl_1758230041.pdb > /var/tmp/scwrl_1758230041.log Error: Couldn't open file /var/tmp/from_scwrl_1758230041.pdb or /var/tmp/from_scwrl_1758230041.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1758230041_b.pdb or decoys//var/tmp/from_scwrl_1758230041_b.pdb.gz for input Trying /var/tmp/from_scwrl_1758230041_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1758230041_b.pdb or /var/tmp/from_scwrl_1758230041_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1758230041_a.pdb or decoys//var/tmp/from_scwrl_1758230041_a.pdb.gz for input Trying /var/tmp/from_scwrl_1758230041_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1758230041_a.pdb or /var/tmp/from_scwrl_1758230041_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1758230041.pdb or /var/tmp/from_scwrl_1758230041_b.pdb or /var/tmp/from_scwrl_1758230041_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 T0382 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_587448268.pdb -s /var/tmp/to_scwrl_587448268.seq -o /var/tmp/from_scwrl_587448268.pdb > /var/tmp/scwrl_587448268.log Error: Couldn't open file /var/tmp/from_scwrl_587448268.pdb or /var/tmp/from_scwrl_587448268.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_587448268_b.pdb or decoys//var/tmp/from_scwrl_587448268_b.pdb.gz for input Trying /var/tmp/from_scwrl_587448268_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_587448268_b.pdb or /var/tmp/from_scwrl_587448268_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_587448268_a.pdb or decoys//var/tmp/from_scwrl_587448268_a.pdb.gz for input Trying /var/tmp/from_scwrl_587448268_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_587448268_a.pdb or /var/tmp/from_scwrl_587448268_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_587448268.pdb or /var/tmp/from_scwrl_587448268_b.pdb or /var/tmp/from_scwrl_587448268_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 T0382 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1770649806.pdb -s /var/tmp/to_scwrl_1770649806.seq -o /var/tmp/from_scwrl_1770649806.pdb > /var/tmp/scwrl_1770649806.log Error: Couldn't open file /var/tmp/from_scwrl_1770649806.pdb or /var/tmp/from_scwrl_1770649806.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1770649806_b.pdb or decoys//var/tmp/from_scwrl_1770649806_b.pdb.gz for input Trying /var/tmp/from_scwrl_1770649806_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1770649806_b.pdb or /var/tmp/from_scwrl_1770649806_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1770649806_a.pdb or decoys//var/tmp/from_scwrl_1770649806_a.pdb.gz for input Trying /var/tmp/from_scwrl_1770649806_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1770649806_a.pdb or /var/tmp/from_scwrl_1770649806_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1770649806.pdb or /var/tmp/from_scwrl_1770649806_b.pdb or /var/tmp/from_scwrl_1770649806_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 T0382 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_243290773.pdb -s /var/tmp/to_scwrl_243290773.seq -o /var/tmp/from_scwrl_243290773.pdb > /var/tmp/scwrl_243290773.log Error: Couldn't open file /var/tmp/from_scwrl_243290773.pdb or /var/tmp/from_scwrl_243290773.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_243290773_b.pdb or decoys//var/tmp/from_scwrl_243290773_b.pdb.gz for input Trying /var/tmp/from_scwrl_243290773_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_243290773_b.pdb or /var/tmp/from_scwrl_243290773_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_243290773_a.pdb or decoys//var/tmp/from_scwrl_243290773_a.pdb.gz for input Trying /var/tmp/from_scwrl_243290773_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_243290773_a.pdb or /var/tmp/from_scwrl_243290773_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_243290773.pdb or /var/tmp/from_scwrl_243290773_b.pdb or /var/tmp/from_scwrl_243290773_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 119 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_690607726.pdb -s /var/tmp/to_scwrl_690607726.seq -o /var/tmp/from_scwrl_690607726.pdb > /var/tmp/scwrl_690607726.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_690607726.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 T0382 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_265043893.pdb -s /var/tmp/to_scwrl_265043893.seq -o /var/tmp/from_scwrl_265043893.pdb > /var/tmp/scwrl_265043893.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_265043893.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 122 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_140810433.pdb -s /var/tmp/to_scwrl_140810433.seq -o /var/tmp/from_scwrl_140810433.pdb > /var/tmp/scwrl_140810433.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_140810433.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 # WARNING: incomplete conformation T0382 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1050324265.pdb -s /var/tmp/to_scwrl_1050324265.seq -o /var/tmp/from_scwrl_1050324265.pdb > /var/tmp/scwrl_1050324265.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1050324265.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 T0382 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_266293909.pdb -s /var/tmp/to_scwrl_266293909.seq -o /var/tmp/from_scwrl_266293909.pdb > /var/tmp/scwrl_266293909.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_266293909.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 121 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_163814765.pdb -s /var/tmp/to_scwrl_163814765.seq -o /var/tmp/from_scwrl_163814765.pdb > /var/tmp/scwrl_163814765.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_163814765.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 122 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_324171753.pdb -s /var/tmp/to_scwrl_324171753.seq -o /var/tmp/from_scwrl_324171753.pdb > /var/tmp/scwrl_324171753.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_324171753.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 122 # copying to AlignedFragments data structure # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_2052397186.pdb -s /var/tmp/to_scwrl_2052397186.seq -o /var/tmp/from_scwrl_2052397186.pdb > /var/tmp/scwrl_2052397186.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2052397186.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 119 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1756317375.pdb -s /var/tmp/to_scwrl_1756317375.seq -o /var/tmp/from_scwrl_1756317375.pdb > /var/tmp/scwrl_1756317375.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1756317375.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 122 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_761754552.pdb -s /var/tmp/to_scwrl_761754552.seq -o /var/tmp/from_scwrl_761754552.pdb > /var/tmp/scwrl_761754552.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_761754552.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 68 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_39440041.pdb -s /var/tmp/to_scwrl_39440041.seq -o /var/tmp/from_scwrl_39440041.pdb > /var/tmp/scwrl_39440041.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_39440041.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 50 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1479687860.pdb -s /var/tmp/to_scwrl_1479687860.seq -o /var/tmp/from_scwrl_1479687860.pdb > /var/tmp/scwrl_1479687860.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1479687860.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 107 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_444835230.pdb -s /var/tmp/to_scwrl_444835230.seq -o /var/tmp/from_scwrl_444835230.pdb > /var/tmp/scwrl_444835230.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_444835230.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 # Found a chain break before 111 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_2083228299.pdb -s /var/tmp/to_scwrl_2083228299.seq -o /var/tmp/from_scwrl_2083228299.pdb > /var/tmp/scwrl_2083228299.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2083228299.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 106 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1761084555.pdb -s /var/tmp/to_scwrl_1761084555.seq -o /var/tmp/from_scwrl_1761084555.pdb > /var/tmp/scwrl_1761084555.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1761084555.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 T0382 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_454785625.pdb -s /var/tmp/to_scwrl_454785625.seq -o /var/tmp/from_scwrl_454785625.pdb > /var/tmp/scwrl_454785625.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_454785625.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 # WARNING: incomplete conformation T0382 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1583461484.pdb -s /var/tmp/to_scwrl_1583461484.seq -o /var/tmp/from_scwrl_1583461484.pdb > /var/tmp/scwrl_1583461484.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1583461484.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 T0382 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_2057056205.pdb -s /var/tmp/to_scwrl_2057056205.seq -o /var/tmp/from_scwrl_2057056205.pdb > /var/tmp/scwrl_2057056205.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2057056205.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 Skipped atom 2, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 4, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 6, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 8, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 302, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 304, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 306, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 308, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz # WARNING: incomplete conformation T0382 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_973357334.pdb -s /var/tmp/to_scwrl_973357334.seq -o /var/tmp/from_scwrl_973357334.pdb > /var/tmp/scwrl_973357334.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_973357334.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 T0382 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_70114520.pdb -s /var/tmp/to_scwrl_70114520.seq -o /var/tmp/from_scwrl_70114520.pdb > /var/tmp/scwrl_70114520.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_70114520.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 T0382 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_261483789.pdb -s /var/tmp/to_scwrl_261483789.seq -o /var/tmp/from_scwrl_261483789.pdb > /var/tmp/scwrl_261483789.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_261483789.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 # WARNING: incomplete conformation T0382 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_327085919.pdb -s /var/tmp/to_scwrl_327085919.seq -o /var/tmp/from_scwrl_327085919.pdb > /var/tmp/scwrl_327085919.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_327085919.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 T0382 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_866196131.pdb -s /var/tmp/to_scwrl_866196131.seq -o /var/tmp/from_scwrl_866196131.pdb > /var/tmp/scwrl_866196131.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_866196131.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 Skipped atom 2, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 4, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 6, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 8, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 302, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 304, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 306, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 308, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz # WARNING: incomplete conformation T0382 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_376298351.pdb -s /var/tmp/to_scwrl_376298351.seq -o /var/tmp/from_scwrl_376298351.pdb > /var/tmp/scwrl_376298351.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_376298351.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 T0382 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_392098973.pdb -s /var/tmp/to_scwrl_392098973.seq -o /var/tmp/from_scwrl_392098973.pdb > /var/tmp/scwrl_392098973.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_392098973.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 118 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_923968713.pdb -s /var/tmp/to_scwrl_923968713.seq -o /var/tmp/from_scwrl_923968713.pdb > /var/tmp/scwrl_923968713.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_923968713.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 105 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_463599057.pdb -s /var/tmp/to_scwrl_463599057.seq -o /var/tmp/from_scwrl_463599057.pdb > /var/tmp/scwrl_463599057.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_463599057.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 # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_2845367.pdb -s /var/tmp/to_scwrl_2845367.seq -o /var/tmp/from_scwrl_2845367.pdb > /var/tmp/scwrl_2845367.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2845367.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 65 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1511416980.pdb -s /var/tmp/to_scwrl_1511416980.seq -o /var/tmp/from_scwrl_1511416980.pdb > /var/tmp/scwrl_1511416980.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1511416980.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 109 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_86765216.pdb -s /var/tmp/to_scwrl_86765216.seq -o /var/tmp/from_scwrl_86765216.pdb > /var/tmp/scwrl_86765216.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_86765216.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 47 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_246136140.pdb -s /var/tmp/to_scwrl_246136140.seq -o /var/tmp/from_scwrl_246136140.pdb > /var/tmp/scwrl_246136140.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_246136140.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_54541059.pdb -s /var/tmp/to_scwrl_54541059.seq -o /var/tmp/from_scwrl_54541059.pdb > /var/tmp/scwrl_54541059.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_54541059.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 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_351809109.pdb -s /var/tmp/to_scwrl_351809109.seq -o /var/tmp/from_scwrl_351809109.pdb > /var/tmp/scwrl_351809109.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_351809109.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 # WARNING: incomplete conformation T0382 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_386946573.pdb -s /var/tmp/to_scwrl_386946573.seq -o /var/tmp/from_scwrl_386946573.pdb > /var/tmp/scwrl_386946573.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_386946573.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 T0382 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1104865323.pdb -s /var/tmp/to_scwrl_1104865323.seq -o /var/tmp/from_scwrl_1104865323.pdb > /var/tmp/scwrl_1104865323.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1104865323.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 T0382 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_618103018.pdb -s /var/tmp/to_scwrl_618103018.seq -o /var/tmp/from_scwrl_618103018.pdb > /var/tmp/scwrl_618103018.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_618103018.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 T0382 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_550761338.pdb -s /var/tmp/to_scwrl_550761338.seq -o /var/tmp/from_scwrl_550761338.pdb > /var/tmp/scwrl_550761338.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_550761338.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 T0382 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1429037076.pdb -s /var/tmp/to_scwrl_1429037076.seq -o /var/tmp/from_scwrl_1429037076.pdb > /var/tmp/scwrl_1429037076.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1429037076.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 T0382 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_523016557.pdb -s /var/tmp/to_scwrl_523016557.seq -o /var/tmp/from_scwrl_523016557.pdb > /var/tmp/scwrl_523016557.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_523016557.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 T0382 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_159595066.pdb -s /var/tmp/to_scwrl_159595066.seq -o /var/tmp/from_scwrl_159595066.pdb > /var/tmp/scwrl_159595066.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_159595066.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 120 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_43307982.pdb -s /var/tmp/to_scwrl_43307982.seq -o /var/tmp/from_scwrl_43307982.pdb > /var/tmp/scwrl_43307982.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_43307982.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 121 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_562456599.pdb -s /var/tmp/to_scwrl_562456599.seq -o /var/tmp/from_scwrl_562456599.pdb > /var/tmp/scwrl_562456599.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_562456599.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 121 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1639282927.pdb -s /var/tmp/to_scwrl_1639282927.seq -o /var/tmp/from_scwrl_1639282927.pdb > /var/tmp/scwrl_1639282927.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1639282927.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 118 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_488143212.pdb -s /var/tmp/to_scwrl_488143212.seq -o /var/tmp/from_scwrl_488143212.pdb > /var/tmp/scwrl_488143212.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_488143212.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 117 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_498201251.pdb -s /var/tmp/to_scwrl_498201251.seq -o /var/tmp/from_scwrl_498201251.pdb > /var/tmp/scwrl_498201251.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_498201251.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS1.pdb.gz looking for model 1 # Found a chain break before 63 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1252883835.pdb -s /var/tmp/to_scwrl_1252883835.seq -o /var/tmp/from_scwrl_1252883835.pdb > /var/tmp/scwrl_1252883835.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1252883835.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS1-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS2.pdb.gz looking for model 1 # Found a chain break before 85 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS2 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_942928837.pdb -s /var/tmp/to_scwrl_942928837.seq -o /var/tmp/from_scwrl_942928837.pdb > /var/tmp/scwrl_942928837.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_942928837.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS2-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS3.pdb.gz looking for model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS3 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_2081662735.pdb -s /var/tmp/to_scwrl_2081662735.seq -o /var/tmp/from_scwrl_2081662735.pdb > /var/tmp/scwrl_2081662735.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2081662735.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS3-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS4.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS4 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1162456393.pdb -s /var/tmp/to_scwrl_1162456393.seq -o /var/tmp/from_scwrl_1162456393.pdb > /var/tmp/scwrl_1162456393.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1162456393.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS4-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS5.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS5 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1916286170.pdb -s /var/tmp/to_scwrl_1916286170.seq -o /var/tmp/from_scwrl_1916286170.pdb > /var/tmp/scwrl_1916286170.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1916286170.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS5-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0382 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_4293608.pdb -s /var/tmp/to_scwrl_4293608.seq -o /var/tmp/from_scwrl_4293608.pdb > /var/tmp/scwrl_4293608.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_4293608.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 # WARNING: incomplete conformation T0382 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1423940182.pdb -s /var/tmp/to_scwrl_1423940182.seq -o /var/tmp/from_scwrl_1423940182.pdb > /var/tmp/scwrl_1423940182.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1423940182.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0382 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_95888443.pdb -s /var/tmp/to_scwrl_95888443.seq -o /var/tmp/from_scwrl_95888443.pdb > /var/tmp/scwrl_95888443.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_95888443.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS3-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0382 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_870489740.pdb -s /var/tmp/to_scwrl_870489740.seq -o /var/tmp/from_scwrl_870489740.pdb > /var/tmp/scwrl_870489740.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_870489740.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 # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1800238534.pdb -s /var/tmp/to_scwrl_1800238534.seq -o /var/tmp/from_scwrl_1800238534.pdb > /var/tmp/scwrl_1800238534.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1800238534.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 # Found a chain break before 86 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_487987416.pdb -s /var/tmp/to_scwrl_487987416.seq -o /var/tmp/from_scwrl_487987416.pdb > /var/tmp/scwrl_487987416.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_487987416.pdb # conformation set from SCWRL output # naming current conformation HHpred1_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred2_TS1.pdb.gz looking for model 1 # Found a chain break before 86 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1794458452.pdb -s /var/tmp/to_scwrl_1794458452.seq -o /var/tmp/from_scwrl_1794458452.pdb > /var/tmp/scwrl_1794458452.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1794458452.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 # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_116353944.pdb -s /var/tmp/to_scwrl_116353944.seq -o /var/tmp/from_scwrl_116353944.pdb > /var/tmp/scwrl_116353944.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_116353944.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 T0382 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_490832783.pdb -s /var/tmp/to_scwrl_490832783.seq -o /var/tmp/from_scwrl_490832783.pdb > /var/tmp/scwrl_490832783.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_490832783.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 T0382 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1158391785.pdb -s /var/tmp/to_scwrl_1158391785.seq -o /var/tmp/from_scwrl_1158391785.pdb > /var/tmp/scwrl_1158391785.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1158391785.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 T0382 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_203119161.pdb -s /var/tmp/to_scwrl_203119161.seq -o /var/tmp/from_scwrl_203119161.pdb > /var/tmp/scwrl_203119161.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_203119161.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 T0382 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_736968923.pdb -s /var/tmp/to_scwrl_736968923.seq -o /var/tmp/from_scwrl_736968923.pdb > /var/tmp/scwrl_736968923.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_736968923.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 T0382 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1212932844.pdb -s /var/tmp/to_scwrl_1212932844.seq -o /var/tmp/from_scwrl_1212932844.pdb > /var/tmp/scwrl_1212932844.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1212932844.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 T0382 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_554928270.pdb -s /var/tmp/to_scwrl_554928270.seq -o /var/tmp/from_scwrl_554928270.pdb > /var/tmp/scwrl_554928270.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_554928270.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 T0382 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1123915496.pdb -s /var/tmp/to_scwrl_1123915496.seq -o /var/tmp/from_scwrl_1123915496.pdb > /var/tmp/scwrl_1123915496.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1123915496.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 T0382 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_170314521.pdb -s /var/tmp/to_scwrl_170314521.seq -o /var/tmp/from_scwrl_170314521.pdb > /var/tmp/scwrl_170314521.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_170314521.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 # Found a chain break before 103 # copying to AlignedFragments data structure # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1173031288.pdb -s /var/tmp/to_scwrl_1173031288.seq -o /var/tmp/from_scwrl_1173031288.pdb > /var/tmp/scwrl_1173031288.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1173031288.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 T0382 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1674676834.pdb -s /var/tmp/to_scwrl_1674676834.seq -o /var/tmp/from_scwrl_1674676834.pdb > /var/tmp/scwrl_1674676834.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1674676834.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 T0382 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1599351597.pdb -s /var/tmp/to_scwrl_1599351597.seq -o /var/tmp/from_scwrl_1599351597.pdb > /var/tmp/scwrl_1599351597.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1599351597.pdb # conformation set from SCWRL output # naming current conformation MIG_FROST_AL1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1696047845.pdb -s /var/tmp/to_scwrl_1696047845.seq -o /var/tmp/from_scwrl_1696047845.pdb > /var/tmp/scwrl_1696047845.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1696047845.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS2.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1834271901.pdb -s /var/tmp/to_scwrl_1834271901.seq -o /var/tmp/from_scwrl_1834271901.pdb > /var/tmp/scwrl_1834271901.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1834271901.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS3.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1642659579.pdb -s /var/tmp/to_scwrl_1642659579.seq -o /var/tmp/from_scwrl_1642659579.pdb > /var/tmp/scwrl_1642659579.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1642659579.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS4.pdb.gz looking for model 1 # Found a chain break before 108 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_111020797.pdb -s /var/tmp/to_scwrl_111020797.seq -o /var/tmp/from_scwrl_111020797.pdb > /var/tmp/scwrl_111020797.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_111020797.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS5.pdb.gz looking for model 1 # Found a chain break before 86 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1326071181.pdb -s /var/tmp/to_scwrl_1326071181.seq -o /var/tmp/from_scwrl_1326071181.pdb > /var/tmp/scwrl_1326071181.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1326071181.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_2130802791.pdb -s /var/tmp/to_scwrl_2130802791.seq -o /var/tmp/from_scwrl_2130802791.pdb > /var/tmp/scwrl_2130802791.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2130802791.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 # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_609222049.pdb -s /var/tmp/to_scwrl_609222049.seq -o /var/tmp/from_scwrl_609222049.pdb > /var/tmp/scwrl_609222049.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_609222049.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS3.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_431471370.pdb -s /var/tmp/to_scwrl_431471370.seq -o /var/tmp/from_scwrl_431471370.pdb > /var/tmp/scwrl_431471370.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_431471370.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 38 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_926247981.pdb -s /var/tmp/to_scwrl_926247981.seq -o /var/tmp/from_scwrl_926247981.pdb > /var/tmp/scwrl_926247981.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_926247981.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 # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_543401137.pdb -s /var/tmp/to_scwrl_543401137.seq -o /var/tmp/from_scwrl_543401137.pdb > /var/tmp/scwrl_543401137.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_543401137.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 105 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1593927763.pdb -s /var/tmp/to_scwrl_1593927763.seq -o /var/tmp/from_scwrl_1593927763.pdb > /var/tmp/scwrl_1593927763.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1593927763.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 119 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_695050505.pdb -s /var/tmp/to_scwrl_695050505.seq -o /var/tmp/from_scwrl_695050505.pdb > /var/tmp/scwrl_695050505.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_695050505.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 122 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_547694746.pdb -s /var/tmp/to_scwrl_547694746.seq -o /var/tmp/from_scwrl_547694746.pdb > /var/tmp/scwrl_547694746.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_547694746.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 120 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_870384299.pdb -s /var/tmp/to_scwrl_870384299.seq -o /var/tmp/from_scwrl_870384299.pdb > /var/tmp/scwrl_870384299.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_870384299.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 122 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_790938948.pdb -s /var/tmp/to_scwrl_790938948.seq -o /var/tmp/from_scwrl_790938948.pdb > /var/tmp/scwrl_790938948.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_790938948.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 T0382 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1418184485.pdb -s /var/tmp/to_scwrl_1418184485.seq -o /var/tmp/from_scwrl_1418184485.pdb > /var/tmp/scwrl_1418184485.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1418184485.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 99 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_523139186.pdb -s /var/tmp/to_scwrl_523139186.seq -o /var/tmp/from_scwrl_523139186.pdb > /var/tmp/scwrl_523139186.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_523139186.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 84 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1278926363.pdb -s /var/tmp/to_scwrl_1278926363.seq -o /var/tmp/from_scwrl_1278926363.pdb > /var/tmp/scwrl_1278926363.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1278926363.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 104 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1065159291.pdb -s /var/tmp/to_scwrl_1065159291.seq -o /var/tmp/from_scwrl_1065159291.pdb > /var/tmp/scwrl_1065159291.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1065159291.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 # Found a chain break before 87 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_639493131.pdb -s /var/tmp/to_scwrl_639493131.seq -o /var/tmp/from_scwrl_639493131.pdb > /var/tmp/scwrl_639493131.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_639493131.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 104 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1769759146.pdb -s /var/tmp/to_scwrl_1769759146.seq -o /var/tmp/from_scwrl_1769759146.pdb > /var/tmp/scwrl_1769759146.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1769759146.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 # naming current conformation PROTINFO-AB_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_76067429.pdb -s /var/tmp/to_scwrl_76067429.seq -o /var/tmp/from_scwrl_76067429.pdb > /var/tmp/scwrl_76067429.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_76067429.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS2.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS2 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_842612292.pdb -s /var/tmp/to_scwrl_842612292.seq -o /var/tmp/from_scwrl_842612292.pdb > /var/tmp/scwrl_842612292.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_842612292.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS3.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS3 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_359244422.pdb -s /var/tmp/to_scwrl_359244422.seq -o /var/tmp/from_scwrl_359244422.pdb > /var/tmp/scwrl_359244422.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_359244422.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS4 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1289000273.pdb -s /var/tmp/to_scwrl_1289000273.seq -o /var/tmp/from_scwrl_1289000273.pdb > /var/tmp/scwrl_1289000273.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1289000273.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS5.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS5 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1397540561.pdb -s /var/tmp/to_scwrl_1397540561.seq -o /var/tmp/from_scwrl_1397540561.pdb > /var/tmp/scwrl_1397540561.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1397540561.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 # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1483159918.pdb -s /var/tmp/to_scwrl_1483159918.seq -o /var/tmp/from_scwrl_1483159918.pdb > /var/tmp/scwrl_1483159918.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1483159918.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 # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1459314794.pdb -s /var/tmp/to_scwrl_1459314794.seq -o /var/tmp/from_scwrl_1459314794.pdb > /var/tmp/scwrl_1459314794.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1459314794.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 # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_423088203.pdb -s /var/tmp/to_scwrl_423088203.seq -o /var/tmp/from_scwrl_423088203.pdb > /var/tmp/scwrl_423088203.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_423088203.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 # Found a chain break before 113 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1010353107.pdb -s /var/tmp/to_scwrl_1010353107.seq -o /var/tmp/from_scwrl_1010353107.pdb > /var/tmp/scwrl_1010353107.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1010353107.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 # Found a chain break before 121 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_911182745.pdb -s /var/tmp/to_scwrl_911182745.seq -o /var/tmp/from_scwrl_911182745.pdb > /var/tmp/scwrl_911182745.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_911182745.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 # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_2119136049.pdb -s /var/tmp/to_scwrl_2119136049.seq -o /var/tmp/from_scwrl_2119136049.pdb > /var/tmp/scwrl_2119136049.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2119136049.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 # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_697141361.pdb -s /var/tmp/to_scwrl_697141361.seq -o /var/tmp/from_scwrl_697141361.pdb > /var/tmp/scwrl_697141361.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_697141361.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0382 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_406358678.pdb -s /var/tmp/to_scwrl_406358678.seq -o /var/tmp/from_scwrl_406358678.pdb > /var/tmp/scwrl_406358678.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_406358678.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0382 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_82673199.pdb -s /var/tmp/to_scwrl_82673199.seq -o /var/tmp/from_scwrl_82673199.pdb > /var/tmp/scwrl_82673199.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_82673199.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 # Found a chain break before 66 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_2023212542.pdb -s /var/tmp/to_scwrl_2023212542.seq -o /var/tmp/from_scwrl_2023212542.pdb > /var/tmp/scwrl_2023212542.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2023212542.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 T0382 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_389677822.pdb -s /var/tmp/to_scwrl_389677822.seq -o /var/tmp/from_scwrl_389677822.pdb > /var/tmp/scwrl_389677822.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_389677822.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 # Found a chain break before 121 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_691895248.pdb -s /var/tmp/to_scwrl_691895248.seq -o /var/tmp/from_scwrl_691895248.pdb > /var/tmp/scwrl_691895248.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_691895248.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_307200265.pdb -s /var/tmp/to_scwrl_307200265.seq -o /var/tmp/from_scwrl_307200265.pdb > /var/tmp/scwrl_307200265.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_307200265.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1315925803.pdb -s /var/tmp/to_scwrl_1315925803.seq -o /var/tmp/from_scwrl_1315925803.pdb > /var/tmp/scwrl_1315925803.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1315925803.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1235296385.pdb -s /var/tmp/to_scwrl_1235296385.seq -o /var/tmp/from_scwrl_1235296385.pdb > /var/tmp/scwrl_1235296385.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1235296385.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1901128028.pdb -s /var/tmp/to_scwrl_1901128028.seq -o /var/tmp/from_scwrl_1901128028.pdb > /var/tmp/scwrl_1901128028.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1901128028.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 # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_2010976308.pdb -s /var/tmp/to_scwrl_2010976308.seq -o /var/tmp/from_scwrl_2010976308.pdb > /var/tmp/scwrl_2010976308.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2010976308.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 # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1782991131.pdb -s /var/tmp/to_scwrl_1782991131.seq -o /var/tmp/from_scwrl_1782991131.pdb > /var/tmp/scwrl_1782991131.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1782991131.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 100 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_624028680.pdb -s /var/tmp/to_scwrl_624028680.seq -o /var/tmp/from_scwrl_624028680.pdb > /var/tmp/scwrl_624028680.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_624028680.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 # WARNING: incomplete conformation T0382 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_654431609.pdb -s /var/tmp/to_scwrl_654431609.seq -o /var/tmp/from_scwrl_654431609.pdb > /var/tmp/scwrl_654431609.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_654431609.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 # WARNING: incomplete conformation T0382 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1053691970.pdb -s /var/tmp/to_scwrl_1053691970.seq -o /var/tmp/from_scwrl_1053691970.pdb > /var/tmp/scwrl_1053691970.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1053691970.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0382 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1147167866.pdb -s /var/tmp/to_scwrl_1147167866.seq -o /var/tmp/from_scwrl_1147167866.pdb > /var/tmp/scwrl_1147167866.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1147167866.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 111 ; scwrl3 -i /var/tmp/to_scwrl_1933357972.pdb -s /var/tmp/to_scwrl_1933357972.seq -o /var/tmp/from_scwrl_1933357972.pdb > /var/tmp/scwrl_1933357972.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1933357972.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS3.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_2118851260.pdb -s /var/tmp/to_scwrl_2118851260.seq -o /var/tmp/from_scwrl_2118851260.pdb > /var/tmp/scwrl_2118851260.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2118851260.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 101 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1786660997.pdb -s /var/tmp/to_scwrl_1786660997.seq -o /var/tmp/from_scwrl_1786660997.pdb > /var/tmp/scwrl_1786660997.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1786660997.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 118 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1555633471.pdb -s /var/tmp/to_scwrl_1555633471.seq -o /var/tmp/from_scwrl_1555633471.pdb > /var/tmp/scwrl_1555633471.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1555633471.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 121 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_47435042.pdb -s /var/tmp/to_scwrl_47435042.seq -o /var/tmp/from_scwrl_47435042.pdb > /var/tmp/scwrl_47435042.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_47435042.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 121 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_481789642.pdb -s /var/tmp/to_scwrl_481789642.seq -o /var/tmp/from_scwrl_481789642.pdb > /var/tmp/scwrl_481789642.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_481789642.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 121 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1914877893.pdb -s /var/tmp/to_scwrl_1914877893.seq -o /var/tmp/from_scwrl_1914877893.pdb > /var/tmp/scwrl_1914877893.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1914877893.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 20 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1336435315.pdb -s /var/tmp/to_scwrl_1336435315.seq -o /var/tmp/from_scwrl_1336435315.pdb > /var/tmp/scwrl_1336435315.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1336435315.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 85 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1879330203.pdb -s /var/tmp/to_scwrl_1879330203.seq -o /var/tmp/from_scwrl_1879330203.pdb > /var/tmp/scwrl_1879330203.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1879330203.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS1.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1250554165.pdb -s /var/tmp/to_scwrl_1250554165.seq -o /var/tmp/from_scwrl_1250554165.pdb > /var/tmp/scwrl_1250554165.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1250554165.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 85 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_648266463.pdb -s /var/tmp/to_scwrl_648266463.seq -o /var/tmp/from_scwrl_648266463.pdb > /var/tmp/scwrl_648266463.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_648266463.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 119 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_154934760.pdb -s /var/tmp/to_scwrl_154934760.seq -o /var/tmp/from_scwrl_154934760.pdb > /var/tmp/scwrl_154934760.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_154934760.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 65 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_113423625.pdb -s /var/tmp/to_scwrl_113423625.seq -o /var/tmp/from_scwrl_113423625.pdb > /var/tmp/scwrl_113423625.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_113423625.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 20 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1559449207.pdb -s /var/tmp/to_scwrl_1559449207.seq -o /var/tmp/from_scwrl_1559449207.pdb > /var/tmp/scwrl_1559449207.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1559449207.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 87 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_126587162.pdb -s /var/tmp/to_scwrl_126587162.seq -o /var/tmp/from_scwrl_126587162.pdb > /var/tmp/scwrl_126587162.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_126587162.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 # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_810564986.pdb -s /var/tmp/to_scwrl_810564986.seq -o /var/tmp/from_scwrl_810564986.pdb > /var/tmp/scwrl_810564986.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_810564986.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 100 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1965807885.pdb -s /var/tmp/to_scwrl_1965807885.seq -o /var/tmp/from_scwrl_1965807885.pdb > /var/tmp/scwrl_1965807885.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1965807885.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS4.pdb.gz looking for model 1 # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_209260361.pdb -s /var/tmp/to_scwrl_209260361.seq -o /var/tmp/from_scwrl_209260361.pdb > /var/tmp/scwrl_209260361.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_209260361.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 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_686293881.pdb -s /var/tmp/to_scwrl_686293881.seq -o /var/tmp/from_scwrl_686293881.pdb > /var/tmp/scwrl_686293881.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_686293881.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 T0382 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_208002061.pdb -s /var/tmp/to_scwrl_208002061.seq -o /var/tmp/from_scwrl_208002061.pdb > /var/tmp/scwrl_208002061.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_208002061.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 T0382 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_901155610.pdb -s /var/tmp/to_scwrl_901155610.seq -o /var/tmp/from_scwrl_901155610.pdb > /var/tmp/scwrl_901155610.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_901155610.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 T0382 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_993494146.pdb -s /var/tmp/to_scwrl_993494146.seq -o /var/tmp/from_scwrl_993494146.pdb > /var/tmp/scwrl_993494146.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_993494146.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 T0382 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1523927864.pdb -s /var/tmp/to_scwrl_1523927864.seq -o /var/tmp/from_scwrl_1523927864.pdb > /var/tmp/scwrl_1523927864.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1523927864.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 T0382 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_2136451995.pdb -s /var/tmp/to_scwrl_2136451995.seq -o /var/tmp/from_scwrl_2136451995.pdb > /var/tmp/scwrl_2136451995.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2136451995.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 T0382 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_747138527.pdb -s /var/tmp/to_scwrl_747138527.seq -o /var/tmp/from_scwrl_747138527.pdb > /var/tmp/scwrl_747138527.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_747138527.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 T0382 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1387420525.pdb -s /var/tmp/to_scwrl_1387420525.seq -o /var/tmp/from_scwrl_1387420525.pdb > /var/tmp/scwrl_1387420525.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1387420525.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 T0382 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1771959479.pdb -s /var/tmp/to_scwrl_1771959479.seq -o /var/tmp/from_scwrl_1771959479.pdb > /var/tmp/scwrl_1771959479.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1771959479.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 T0382 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1371167206.pdb -s /var/tmp/to_scwrl_1371167206.seq -o /var/tmp/from_scwrl_1371167206.pdb > /var/tmp/scwrl_1371167206.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1371167206.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_2041852134.pdb -s /var/tmp/to_scwrl_2041852134.seq -o /var/tmp/from_scwrl_2041852134.pdb > /var/tmp/scwrl_2041852134.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2041852134.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 T0382 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_678167802.pdb -s /var/tmp/to_scwrl_678167802.seq -o /var/tmp/from_scwrl_678167802.pdb > /var/tmp/scwrl_678167802.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_678167802.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 T0382 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_370851426.pdb -s /var/tmp/to_scwrl_370851426.seq -o /var/tmp/from_scwrl_370851426.pdb > /var/tmp/scwrl_370851426.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_370851426.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 T0382 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1827726459.pdb -s /var/tmp/to_scwrl_1827726459.seq -o /var/tmp/from_scwrl_1827726459.pdb > /var/tmp/scwrl_1827726459.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1827726459.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 T0382 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_649535415.pdb -s /var/tmp/to_scwrl_649535415.seq -o /var/tmp/from_scwrl_649535415.pdb > /var/tmp/scwrl_649535415.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_649535415.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 69 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_10028776.pdb -s /var/tmp/to_scwrl_10028776.seq -o /var/tmp/from_scwrl_10028776.pdb > /var/tmp/scwrl_10028776.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_10028776.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 105 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1235876283.pdb -s /var/tmp/to_scwrl_1235876283.seq -o /var/tmp/from_scwrl_1235876283.pdb > /var/tmp/scwrl_1235876283.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1235876283.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 70 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_696970457.pdb -s /var/tmp/to_scwrl_696970457.seq -o /var/tmp/from_scwrl_696970457.pdb > /var/tmp/scwrl_696970457.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_696970457.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 78 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_491818418.pdb -s /var/tmp/to_scwrl_491818418.seq -o /var/tmp/from_scwrl_491818418.pdb > /var/tmp/scwrl_491818418.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_491818418.pdb # conformation set from SCWRL output # naming current conformation SP3_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS5.pdb.gz looking for model 1 # Found a chain break before 41 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1003270530.pdb -s /var/tmp/to_scwrl_1003270530.seq -o /var/tmp/from_scwrl_1003270530.pdb > /var/tmp/scwrl_1003270530.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1003270530.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 68 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_2033405772.pdb -s /var/tmp/to_scwrl_2033405772.seq -o /var/tmp/from_scwrl_2033405772.pdb > /var/tmp/scwrl_2033405772.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2033405772.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 84 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_223664975.pdb -s /var/tmp/to_scwrl_223664975.seq -o /var/tmp/from_scwrl_223664975.pdb > /var/tmp/scwrl_223664975.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_223664975.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 93 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_106341048.pdb -s /var/tmp/to_scwrl_106341048.seq -o /var/tmp/from_scwrl_106341048.pdb > /var/tmp/scwrl_106341048.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_106341048.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 111 ; scwrl3 -i /var/tmp/to_scwrl_534188588.pdb -s /var/tmp/to_scwrl_534188588.seq -o /var/tmp/from_scwrl_534188588.pdb > /var/tmp/scwrl_534188588.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_534188588.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 72 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_378599735.pdb -s /var/tmp/to_scwrl_378599735.seq -o /var/tmp/from_scwrl_378599735.pdb > /var/tmp/scwrl_378599735.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_378599735.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 27 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_219764673.pdb -s /var/tmp/to_scwrl_219764673.seq -o /var/tmp/from_scwrl_219764673.pdb > /var/tmp/scwrl_219764673.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_219764673.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 105 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_2093637795.pdb -s /var/tmp/to_scwrl_2093637795.seq -o /var/tmp/from_scwrl_2093637795.pdb > /var/tmp/scwrl_2093637795.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2093637795.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS2-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS3.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_505186897.pdb -s /var/tmp/to_scwrl_505186897.seq -o /var/tmp/from_scwrl_505186897.pdb > /var/tmp/scwrl_505186897.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_505186897.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 65 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1030329659.pdb -s /var/tmp/to_scwrl_1030329659.seq -o /var/tmp/from_scwrl_1030329659.pdb > /var/tmp/scwrl_1030329659.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1030329659.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 106 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1911962034.pdb -s /var/tmp/to_scwrl_1911962034.seq -o /var/tmp/from_scwrl_1911962034.pdb > /var/tmp/scwrl_1911962034.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1911962034.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 T0382 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_714447258.pdb -s /var/tmp/to_scwrl_714447258.seq -o /var/tmp/from_scwrl_714447258.pdb > /var/tmp/scwrl_714447258.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_714447258.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 T0382 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1716623539.pdb -s /var/tmp/to_scwrl_1716623539.seq -o /var/tmp/from_scwrl_1716623539.pdb > /var/tmp/scwrl_1716623539.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1716623539.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 T0382 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_2119964095.pdb -s /var/tmp/to_scwrl_2119964095.seq -o /var/tmp/from_scwrl_2119964095.pdb > /var/tmp/scwrl_2119964095.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2119964095.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 T0382 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1615602867.pdb -s /var/tmp/to_scwrl_1615602867.seq -o /var/tmp/from_scwrl_1615602867.pdb > /var/tmp/scwrl_1615602867.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1615602867.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 T0382 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_562634038.pdb -s /var/tmp/to_scwrl_562634038.seq -o /var/tmp/from_scwrl_562634038.pdb > /var/tmp/scwrl_562634038.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_562634038.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS5-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_expm_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0382 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1496408312.pdb -s /var/tmp/to_scwrl_1496408312.seq -o /var/tmp/from_scwrl_1496408312.pdb > /var/tmp/scwrl_1496408312.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1496408312.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_expm_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0382 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1604571215.pdb -s /var/tmp/to_scwrl_1604571215.seq -o /var/tmp/from_scwrl_1604571215.pdb > /var/tmp/scwrl_1604571215.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1604571215.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 T0382 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1309772564.pdb -s /var/tmp/to_scwrl_1309772564.seq -o /var/tmp/from_scwrl_1309772564.pdb > /var/tmp/scwrl_1309772564.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1309772564.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 Skipped atom 7, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz # WARNING: incomplete conformation T0382 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_736345191.pdb -s /var/tmp/to_scwrl_736345191.seq -o /var/tmp/from_scwrl_736345191.pdb > /var/tmp/scwrl_736345191.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_736345191.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 T0382 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1229047047.pdb -s /var/tmp/to_scwrl_1229047047.seq -o /var/tmp/from_scwrl_1229047047.pdb > /var/tmp/scwrl_1229047047.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1229047047.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 T0382 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_533456125.pdb -s /var/tmp/to_scwrl_533456125.seq -o /var/tmp/from_scwrl_533456125.pdb > /var/tmp/scwrl_533456125.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_533456125.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 115 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_630713678.pdb -s /var/tmp/to_scwrl_630713678.seq -o /var/tmp/from_scwrl_630713678.pdb > /var/tmp/scwrl_630713678.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_630713678.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 121 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1907214849.pdb -s /var/tmp/to_scwrl_1907214849.seq -o /var/tmp/from_scwrl_1907214849.pdb > /var/tmp/scwrl_1907214849.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1907214849.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 107 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_904307551.pdb -s /var/tmp/to_scwrl_904307551.seq -o /var/tmp/from_scwrl_904307551.pdb > /var/tmp/scwrl_904307551.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_904307551.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 121 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_310956490.pdb -s /var/tmp/to_scwrl_310956490.seq -o /var/tmp/from_scwrl_310956490.pdb > /var/tmp/scwrl_310956490.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_310956490.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 121 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_409266617.pdb -s /var/tmp/to_scwrl_409266617.seq -o /var/tmp/from_scwrl_409266617.pdb > /var/tmp/scwrl_409266617.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_409266617.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 122 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_914336328.pdb -s /var/tmp/to_scwrl_914336328.seq -o /var/tmp/from_scwrl_914336328.pdb > /var/tmp/scwrl_914336328.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_914336328.pdb # conformation set from SCWRL output # naming current conformation beautshot_TS1-scwrl # ReadConformPDB reading from PDB file servers/beautshotbase_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0382 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1546832773.pdb -s /var/tmp/to_scwrl_1546832773.seq -o /var/tmp/from_scwrl_1546832773.pdb > /var/tmp/scwrl_1546832773.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1546832773.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 T0382 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1106237073.pdb -s /var/tmp/to_scwrl_1106237073.seq -o /var/tmp/from_scwrl_1106237073.pdb > /var/tmp/scwrl_1106237073.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1106237073.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 T0382 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1406154745.pdb -s /var/tmp/to_scwrl_1406154745.seq -o /var/tmp/from_scwrl_1406154745.pdb > /var/tmp/scwrl_1406154745.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1406154745.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 T0382 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_402619656.pdb -s /var/tmp/to_scwrl_402619656.seq -o /var/tmp/from_scwrl_402619656.pdb > /var/tmp/scwrl_402619656.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_402619656.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 T0382 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_992159199.pdb -s /var/tmp/to_scwrl_992159199.seq -o /var/tmp/from_scwrl_992159199.pdb > /var/tmp/scwrl_992159199.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_992159199.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 T0382 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1629819720.pdb -s /var/tmp/to_scwrl_1629819720.seq -o /var/tmp/from_scwrl_1629819720.pdb > /var/tmp/scwrl_1629819720.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1629819720.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 101 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_508960705.pdb -s /var/tmp/to_scwrl_508960705.seq -o /var/tmp/from_scwrl_508960705.pdb > /var/tmp/scwrl_508960705.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_508960705.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS2.pdb.gz looking for model 1 # Found a chain break before 51 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1526347786.pdb -s /var/tmp/to_scwrl_1526347786.seq -o /var/tmp/from_scwrl_1526347786.pdb > /var/tmp/scwrl_1526347786.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1526347786.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 50 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_2008419455.pdb -s /var/tmp/to_scwrl_2008419455.seq -o /var/tmp/from_scwrl_2008419455.pdb > /var/tmp/scwrl_2008419455.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2008419455.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 # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_728725378.pdb -s /var/tmp/to_scwrl_728725378.seq -o /var/tmp/from_scwrl_728725378.pdb > /var/tmp/scwrl_728725378.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_728725378.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 # Found a chain break before 86 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1472501935.pdb -s /var/tmp/to_scwrl_1472501935.seq -o /var/tmp/from_scwrl_1472501935.pdb > /var/tmp/scwrl_1472501935.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1472501935.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS1.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_366122705.pdb -s /var/tmp/to_scwrl_366122705.seq -o /var/tmp/from_scwrl_366122705.pdb > /var/tmp/scwrl_366122705.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_366122705.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 120 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1759055037.pdb -s /var/tmp/to_scwrl_1759055037.seq -o /var/tmp/from_scwrl_1759055037.pdb > /var/tmp/scwrl_1759055037.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1759055037.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 WARNING: atoms too close: (T0382)P69.O and (T0382)N70.N only 0.000 apart, marking (T0382)N70.N as missing # WARNING: incomplete conformation T0382 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1236980322.pdb -s /var/tmp/to_scwrl_1236980322.seq -o /var/tmp/from_scwrl_1236980322.pdb > /var/tmp/scwrl_1236980322.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1236980322.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 WARNING: atoms too close: (T0382)L6.O and (T0382)H7.N only 0.000 apart, marking (T0382)H7.N as missing WARNING: atoms too close: (T0382)A108.O and (T0382)G109.N only 0.000 apart, marking (T0382)G109.N as missing WARNING: atoms too close: (T0382)L112.O and (T0382)D113.N only 0.000 apart, marking (T0382)D113.N as missing # WARNING: incomplete conformation T0382 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1080569963.pdb -s /var/tmp/to_scwrl_1080569963.seq -o /var/tmp/from_scwrl_1080569963.pdb > /var/tmp/scwrl_1080569963.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1080569963.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: (T0382)D113.O and (T0382)L114.N only 0.000 apart, marking (T0382)L114.N as missing # WARNING: incomplete conformation T0382 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 111 ; scwrl3 -i /var/tmp/to_scwrl_1328194929.pdb -s /var/tmp/to_scwrl_1328194929.seq -o /var/tmp/from_scwrl_1328194929.pdb > /var/tmp/scwrl_1328194929.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1328194929.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 T0382 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1209460770.pdb -s /var/tmp/to_scwrl_1209460770.seq -o /var/tmp/from_scwrl_1209460770.pdb > /var/tmp/scwrl_1209460770.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1209460770.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 T0382 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_548689184.pdb -s /var/tmp/to_scwrl_548689184.seq -o /var/tmp/from_scwrl_548689184.pdb > /var/tmp/scwrl_548689184.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_548689184.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 T0382 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1890828968.pdb -s /var/tmp/to_scwrl_1890828968.seq -o /var/tmp/from_scwrl_1890828968.pdb > /var/tmp/scwrl_1890828968.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1890828968.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 T0382 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_558385436.pdb -s /var/tmp/to_scwrl_558385436.seq -o /var/tmp/from_scwrl_558385436.pdb > /var/tmp/scwrl_558385436.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_558385436.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 T0382 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_5776753.pdb -s /var/tmp/to_scwrl_5776753.seq -o /var/tmp/from_scwrl_5776753.pdb > /var/tmp/scwrl_5776753.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_5776753.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS5-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1053117886.pdb -s /var/tmp/to_scwrl_1053117886.seq -o /var/tmp/from_scwrl_1053117886.pdb > /var/tmp/scwrl_1053117886.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1053117886.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 # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1294730626.pdb -s /var/tmp/to_scwrl_1294730626.seq -o /var/tmp/from_scwrl_1294730626.pdb > /var/tmp/scwrl_1294730626.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1294730626.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 # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1234823800.pdb -s /var/tmp/to_scwrl_1234823800.seq -o /var/tmp/from_scwrl_1234823800.pdb > /var/tmp/scwrl_1234823800.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1234823800.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1586574010.pdb -s /var/tmp/to_scwrl_1586574010.seq -o /var/tmp/from_scwrl_1586574010.pdb > /var/tmp/scwrl_1586574010.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1586574010.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 # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1925444304.pdb -s /var/tmp/to_scwrl_1925444304.seq -o /var/tmp/from_scwrl_1925444304.pdb > /var/tmp/scwrl_1925444304.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1925444304.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 T0382 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_994555004.pdb -s /var/tmp/to_scwrl_994555004.seq -o /var/tmp/from_scwrl_994555004.pdb > /var/tmp/scwrl_994555004.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_994555004.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 T0382 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_343397915.pdb -s /var/tmp/to_scwrl_343397915.seq -o /var/tmp/from_scwrl_343397915.pdb > /var/tmp/scwrl_343397915.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_343397915.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 T0382 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_88917147.pdb -s /var/tmp/to_scwrl_88917147.seq -o /var/tmp/from_scwrl_88917147.pdb > /var/tmp/scwrl_88917147.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_88917147.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 T0382 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1403821620.pdb -s /var/tmp/to_scwrl_1403821620.seq -o /var/tmp/from_scwrl_1403821620.pdb > /var/tmp/scwrl_1403821620.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1403821620.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 T0382 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1257734242.pdb -s /var/tmp/to_scwrl_1257734242.seq -o /var/tmp/from_scwrl_1257734242.pdb > /var/tmp/scwrl_1257734242.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1257734242.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 T0382 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_1635749920.pdb -s /var/tmp/to_scwrl_1635749920.seq -o /var/tmp/from_scwrl_1635749920.pdb > /var/tmp/scwrl_1635749920.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1635749920.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 T0382 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_362575048.pdb -s /var/tmp/to_scwrl_362575048.seq -o /var/tmp/from_scwrl_362575048.pdb > /var/tmp/scwrl_362575048.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_362575048.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 T0382 can't currently be optimized by undertaker # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 111 ; scwrl3 -i /var/tmp/to_scwrl_516405341.pdb -s /var/tmp/to_scwrl_516405341.seq -o /var/tmp/from_scwrl_516405341.pdb > /var/tmp/scwrl_516405341.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_516405341.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 83.753 sec, elapsed time= 408.699 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 57.877 real_cost = 147.602 shub_TS1 costs 57.832 real_cost = 147.101 panther2_TS1-scwrl costs 96.250 real_cost = 438.923 panther2_TS1 costs 96.286 real_cost = 423.165 nFOLD_TS5-scwrl costs 48.664 real_cost = 110.317 nFOLD_TS5 costs 48.639 real_cost = 165.353 nFOLD_TS4-scwrl costs 47.962 real_cost = 171.369 nFOLD_TS4 costs 47.941 real_cost = 232.582 nFOLD_TS3-scwrl costs 58.143 real_cost = 206.838 nFOLD_TS3 costs 58.143 real_cost = 266.528 nFOLD_TS2-scwrl costs 43.020 real_cost = 165.996 nFOLD_TS2 costs 43.020 real_cost = 229.102 nFOLD_TS1-scwrl costs 59.888 real_cost = 156.021 nFOLD_TS1 costs 59.738 real_cost = 203.503 mGen-3D_TS1-scwrl costs 59.888 real_cost = 156.021 mGen-3D_TS1 costs 59.738 real_cost = 203.503 keasar-server_TS5-scwrl costs 76.477 real_cost = 210.330 keasar-server_TS5 costs 76.477 real_cost = 220.243 keasar-server_TS4-scwrl costs 80.546 real_cost = 204.020 keasar-server_TS4 costs 80.546 real_cost = 199.305 keasar-server_TS3-scwrl costs 85.548 real_cost = 199.225 keasar-server_TS3 costs 85.548 real_cost = 207.980 keasar-server_TS2-scwrl costs 72.564 real_cost = 115.813 keasar-server_TS2 costs 72.564 real_cost = 121.794 keasar-server_TS1-scwrl costs 86.231 real_cost = 206.258 keasar-server_TS1 costs 86.231 real_cost = 209.476 karypis.srv_TS5-scwrl costs 77.098 real_cost = 195.824 karypis.srv_TS5 costs 77.109 real_cost = 193.372 karypis.srv_TS4-scwrl costs 75.174 real_cost = 275.818 karypis.srv_TS4 costs 75.203 real_cost = 270.602 karypis.srv_TS3-scwrl costs 67.037 real_cost = 196.743 karypis.srv_TS3 costs 66.879 real_cost = 194.641 karypis.srv_TS2-scwrl costs 92.898 real_cost = 246.711 karypis.srv_TS2 costs 92.910 real_cost = 243.864 karypis.srv_TS1-scwrl costs 79.168 real_cost = 179.824 karypis.srv_TS1 costs 79.152 real_cost = 177.282 karypis.srv.4_TS5-scwrl costs 154.267 real_cost = 288.708 karypis.srv.4_TS5 costs 154.267 real_cost = 288.707 karypis.srv.4_TS4-scwrl costs 143.245 real_cost = 262.145 karypis.srv.4_TS4 costs 143.245 real_cost = 264.632 karypis.srv.4_TS3-scwrl costs 146.521 real_cost = 265.463 karypis.srv.4_TS3 costs 146.521 real_cost = 266.223 karypis.srv.4_TS2-scwrl costs 127.974 real_cost = 271.949 karypis.srv.4_TS2 costs 127.974 real_cost = 271.949 karypis.srv.4_TS1-scwrl costs 148.163 real_cost = 293.287 karypis.srv.4_TS1 costs 148.163 real_cost = 293.287 karypis.srv.2_TS5-scwrl costs 68.008 real_cost = 224.836 karypis.srv.2_TS5 costs 68.008 real_cost = 225.833 karypis.srv.2_TS4-scwrl costs 65.673 real_cost = 206.829 karypis.srv.2_TS4 costs 65.673 real_cost = 206.840 karypis.srv.2_TS3-scwrl costs 78.998 real_cost = 250.699 karypis.srv.2_TS3 costs 78.998 real_cost = 250.709 karypis.srv.2_TS2-scwrl costs 80.972 real_cost = 252.178 karypis.srv.2_TS2 costs 80.972 real_cost = 252.178 karypis.srv.2_TS1-scwrl costs 72.462 real_cost = 182.666 karypis.srv.2_TS1 costs 72.462 real_cost = 183.124 forecast-s_AL5-scwrl costs 92.056 real_cost = 311.170 forecast-s_AL5 costs 92.009 real_cost = 342.383 forecast-s_AL4-scwrl costs 89.079 real_cost = 304.256 forecast-s_AL4 costs 89.209 real_cost = 338.282 forecast-s_AL3-scwrl costs 117.042 real_cost = 362.656 forecast-s_AL3 costs 117.093 real_cost = 399.808 forecast-s_AL2-scwrl costs 119.543 real_cost = 379.411 forecast-s_AL2 costs 119.535 real_cost = 407.307 forecast-s_AL1-scwrl costs 118.674 real_cost = 413.055 forecast-s_AL1 costs 118.635 real_cost = 408.653 beautshotbase_TS1-scwrl costs 45.761 real_cost = 148.746 beautshotbase_TS1 costs 45.738 real_cost = 149.695 beautshot_TS1-scwrl costs 72.165 real_cost = 152.235 beautshot_TS1 costs 72.165 real_cost = 155.213 Zhang-Server_TS5-scwrl costs 42.672 real_cost = 103.717 Zhang-Server_TS5 costs 42.672 real_cost = 109.719 Zhang-Server_TS4-scwrl costs 52.519 real_cost = 4.616 Zhang-Server_TS4 costs 52.519 real_cost = 10.055 Zhang-Server_TS3-scwrl costs 56.549 real_cost = 75.958 Zhang-Server_TS3 costs 56.549 real_cost = 84.907 Zhang-Server_TS2-scwrl costs 48.839 real_cost = 91.595 Zhang-Server_TS2 costs 48.839 real_cost = 93.342 Zhang-Server_TS1-scwrl costs 53.294 real_cost = 65.881 Zhang-Server_TS1 costs 53.294 real_cost = 67.725 UNI-EID_sfst_AL5-scwrl costs 60.522 real_cost = 225.042 UNI-EID_sfst_AL5 costs 60.583 real_cost = 274.076 UNI-EID_sfst_AL4-scwrl costs 65.799 real_cost = 208.482 UNI-EID_sfst_AL4 costs 65.845 real_cost = 265.120 UNI-EID_sfst_AL3-scwrl costs 59.394 real_cost = 209.613 UNI-EID_sfst_AL3 costs 59.371 real_cost = 259.271 UNI-EID_sfst_AL2-scwrl costs 78.425 real_cost = 244.716 UNI-EID_sfst_AL2 costs 78.404 real_cost = 288.234 UNI-EID_sfst_AL1-scwrl costs 66.872 real_cost = 227.774 UNI-EID_sfst_AL1 costs 66.844 real_cost = 282.106 UNI-EID_expm_TS1-scwrl costs 85.053 real_cost = 199.511 UNI-EID_expm_TS1 costs 85.017 real_cost = 249.730 UNI-EID_bnmx_TS5-scwrl costs 74.793 real_cost = 183.722 UNI-EID_bnmx_TS5 costs 74.839 real_cost = 250.985 UNI-EID_bnmx_TS4-scwrl costs 60.282 real_cost = 156.377 UNI-EID_bnmx_TS4 costs 60.276 real_cost = 225.678 UNI-EID_bnmx_TS3-scwrl costs 56.255 real_cost = 151.922 UNI-EID_bnmx_TS3 costs 56.243 real_cost = 221.395 UNI-EID_bnmx_TS2-scwrl costs 58.067 real_cost = 223.158 UNI-EID_bnmx_TS2 costs 58.126 real_cost = 282.166 UNI-EID_bnmx_TS1-scwrl costs 66.897 real_cost = 169.624 UNI-EID_bnmx_TS1 costs 66.851 real_cost = 229.678 SPARKS2_TS5-scwrl costs 62.725 real_cost = 203.007 SPARKS2_TS5 costs 62.725 real_cost = 214.146 SPARKS2_TS4-scwrl costs 50.281 real_cost = 201.812 SPARKS2_TS4 costs 50.281 real_cost = 206.864 SPARKS2_TS3-scwrl costs 47.812 real_cost = 166.785 SPARKS2_TS3 costs 47.812 real_cost = 166.529 SPARKS2_TS2-scwrl costs 60.967 real_cost = 161.285 SPARKS2_TS2 costs 60.967 real_cost = 169.347 SPARKS2_TS1-scwrl costs 54.127 real_cost = 205.432 SPARKS2_TS1 costs 54.127 real_cost = 205.447 SP4_TS5-scwrl costs 49.571 real_cost = 161.324 SP4_TS5 costs 49.571 real_cost = 167.189 SP4_TS4-scwrl costs 53.457 real_cost = 132.153 SP4_TS4 costs 53.457 real_cost = 132.921 SP4_TS3-scwrl costs 58.830 real_cost = 170.726 SP4_TS3 costs 58.830 real_cost = 171.404 SP4_TS2-scwrl costs 67.209 real_cost = 108.196 SP4_TS2 costs 67.209 real_cost = 120.107 SP4_TS1-scwrl costs 48.176 real_cost = 21.249 SP4_TS1 costs 48.176 real_cost = 27.363 SP3_TS5-scwrl costs 54.428 real_cost = 207.266 SP3_TS5 costs 54.428 real_cost = 202.783 SP3_TS4-scwrl costs 58.551 real_cost = 193.697 SP3_TS4 costs 58.551 real_cost = 187.950 SP3_TS3-scwrl costs 61.436 real_cost = 172.945 SP3_TS3 costs 61.436 real_cost = 173.060 SP3_TS2-scwrl costs 60.967 real_cost = 161.285 SP3_TS2 costs 60.967 real_cost = 169.347 SP3_TS1-scwrl costs 56.376 real_cost = 220.586 SP3_TS1 costs 56.376 real_cost = 222.885 SAM_T06_server_TS5-scwrl costs 82.527 real_cost = 232.641 SAM_T06_server_TS5 costs 82.489 real_cost = 204.286 SAM_T06_server_TS4-scwrl costs 62.038 real_cost = 193.073 SAM_T06_server_TS4 costs 62.016 real_cost = 185.648 SAM_T06_server_TS3-scwrl costs 99.132 real_cost = 308.812 SAM_T06_server_TS3 costs 99.093 real_cost = 278.048 SAM_T06_server_TS2-scwrl costs 47.637 real_cost = 134.010 SAM_T06_server_TS2 costs 47.645 real_cost = 130.385 SAM_T06_server_TS1-scwrl costs 48.444 real_cost = 60.252 SAM_T06_server_TS1 costs 48.444 real_cost = 59.719 SAM-T02_AL4-scwrl costs 179.734 real_cost = 364.166 SAM-T02_AL4 costs 179.667 real_cost = 444.549 SAM-T02_AL3-scwrl costs 52.842 real_cost = 131.844 SAM-T02_AL3 costs 52.820 real_cost = 197.024 SAM-T02_AL2-scwrl costs 115.665 real_cost = 332.888 SAM-T02_AL2 costs 115.741 real_cost = 324.744 SAM-T02_AL1-scwrl costs 112.737 real_cost = 294.268 SAM-T02_AL1 costs 112.791 real_cost = 295.588 ROKKY_TS5-scwrl costs 41.093 real_cost = 80.911 ROKKY_TS5 costs 41.093 real_cost = 174.070 ROKKY_TS4-scwrl costs 30.876 real_cost = 75.403 ROKKY_TS4 costs 30.876 real_cost = 168.954 ROKKY_TS3-scwrl costs 32.830 real_cost = 30.713 ROKKY_TS3 costs 32.830 real_cost = 126.526 ROKKY_TS2-scwrl costs 38.508 real_cost = 114.129 ROKKY_TS2 costs 38.508 real_cost = 206.241 ROKKY_TS1-scwrl costs 31.345 real_cost = 141.009 ROKKY_TS1 costs 31.345 real_cost = 233.536 ROBETTA_TS5-scwrl costs 55.058 real_cost = 150.834 ROBETTA_TS5 costs 55.058 real_cost = 152.518 ROBETTA_TS4-scwrl costs 30.916 real_cost = 40.747 ROBETTA_TS4 costs 30.916 real_cost = 43.767 ROBETTA_TS3-scwrl costs 72.598 real_cost = 181.596 ROBETTA_TS3 costs 72.598 real_cost = 179.867 ROBETTA_TS2-scwrl costs 33.440 real_cost = -33.446 ROBETTA_TS2 costs 33.440 real_cost = -33.219 ROBETTA_TS1-scwrl costs 67.917 real_cost = 169.605 ROBETTA_TS1 costs 67.917 real_cost = 174.196 RAPTOR_TS5-scwrl costs 57.384 real_cost = 171.963 RAPTOR_TS5 costs 57.384 real_cost = 176.693 RAPTOR_TS4-scwrl costs 63.590 real_cost = 133.670 RAPTOR_TS4 costs 63.590 real_cost = 140.335 RAPTOR_TS3-scwrl costs 64.268 real_cost = 104.578 RAPTOR_TS3 costs 64.268 real_cost = 108.951 RAPTOR_TS2-scwrl costs 70.225 real_cost = 112.597 RAPTOR_TS2 costs 70.225 real_cost = 116.350 RAPTOR_TS1-scwrl costs 52.043 real_cost = 19.016 RAPTOR_TS1 costs 52.043 real_cost = 19.085 RAPTORESS_TS5-scwrl costs 63.178 real_cost = 175.549 RAPTORESS_TS5 costs 63.178 real_cost = 184.653 RAPTORESS_TS4-scwrl costs 91.798 real_cost = 161.266 RAPTORESS_TS4 costs 91.798 real_cost = 169.701 RAPTORESS_TS3-scwrl costs 75.913 real_cost = 118.057 RAPTORESS_TS3 costs 75.913 real_cost = 114.915 RAPTORESS_TS2-scwrl costs 75.672 real_cost = 93.292 RAPTORESS_TS2 costs 75.672 real_cost = 103.060 RAPTORESS_TS1-scwrl costs 59.724 real_cost = 26.749 RAPTORESS_TS1 costs 59.724 real_cost = 31.864 RAPTOR-ACE_TS5-scwrl costs 58.025 real_cost = 47.845 RAPTOR-ACE_TS5 costs 58.025 real_cost = 54.323 RAPTOR-ACE_TS4-scwrl costs 58.315 real_cost = 75.208 RAPTOR-ACE_TS4 costs 58.315 real_cost = 86.475 RAPTOR-ACE_TS3-scwrl costs 61.682 real_cost = 114.406 RAPTOR-ACE_TS3 costs 61.682 real_cost = 125.893 RAPTOR-ACE_TS2-scwrl costs 50.714 real_cost = 114.924 RAPTOR-ACE_TS2 costs 50.714 real_cost = 117.182 RAPTOR-ACE_TS1-scwrl costs 47.799 real_cost = 123.729 RAPTOR-ACE_TS1 costs 47.799 real_cost = 131.632 Pmodeller6_TS5-scwrl costs 40.508 real_cost = 104.013 Pmodeller6_TS5 costs 40.512 real_cost = 101.360 Pmodeller6_TS4-scwrl costs 41.394 real_cost = 32.339 Pmodeller6_TS4 costs 41.394 real_cost = 32.270 Pmodeller6_TS3-scwrl costs 55.058 real_cost = 150.834 Pmodeller6_TS3 costs 55.058 real_cost = 152.518 Pmodeller6_TS2-scwrl costs 33.359 real_cost = 68.415 Pmodeller6_TS2 costs 33.359 real_cost = 71.141 Pmodeller6_TS1-scwrl costs 36.546 real_cost = 77.359 Pmodeller6_TS1 costs 36.546 real_cost = 77.829 Phyre-2_TS5-scwrl costs 41.060 real_cost = 164.281 Phyre-2_TS5 costs 41.060 real_cost = 163.901 Phyre-2_TS4-scwrl costs 56.494 real_cost = 189.562 Phyre-2_TS4 costs 56.494 real_cost = 186.559 Phyre-2_TS3-scwrl costs 49.659 real_cost = 157.353 Phyre-2_TS3 costs 49.659 real_cost = 150.310 Phyre-2_TS2-scwrl costs 35.116 real_cost = 175.532 Phyre-2_TS2 costs 35.116 real_cost = 172.171 Phyre-2_TS1-scwrl costs 96.235 real_cost = 226.959 Phyre-2_TS1 costs 96.235 real_cost = 226.971 Phyre-1_TS1-scwrl costs 80.592 real_cost = 227.240 Phyre-1_TS1 costs 80.600 real_cost = 224.342 Pcons6_TS5-scwrl costs 39.748 real_cost = 191.826 Pcons6_TS5 costs 39.748 real_cost = 191.826 Pcons6_TS4-scwrl costs 51.199 real_cost = 169.796 Pcons6_TS4 costs 51.214 real_cost = 167.711 Pcons6_TS3-scwrl costs 44.491 real_cost = 172.143 Pcons6_TS3 costs 44.500 real_cost = 170.583 Pcons6_TS2-scwrl costs 30.916 real_cost = 40.747 Pcons6_TS2 costs 30.916 real_cost = 43.767 Pcons6_TS1-scwrl costs 33.440 real_cost = -33.446 Pcons6_TS1 costs 33.440 real_cost = -33.219 PROTINFO_TS5-scwrl costs 63.389 real_cost = 164.765 PROTINFO_TS5 costs 63.389 real_cost = 168.658 PROTINFO_TS4-scwrl costs 72.611 real_cost = 174.405 PROTINFO_TS4 costs 72.611 real_cost = 179.271 PROTINFO_TS3-scwrl costs 56.994 real_cost = 143.265 PROTINFO_TS3 costs 56.994 real_cost = 142.836 PROTINFO_TS2-scwrl costs 42.560 real_cost = 161.661 PROTINFO_TS2 costs 42.560 real_cost = 163.733 PROTINFO_TS1-scwrl costs 53.248 real_cost = 138.722 PROTINFO_TS1 costs 53.248 real_cost = 144.127 PROTINFO-AB_TS5-scwrl costs 44.787 real_cost = 143.110 PROTINFO-AB_TS5 costs 44.787 real_cost = 151.885 PROTINFO-AB_TS4-scwrl costs 41.205 real_cost = 154.970 PROTINFO-AB_TS4 costs 41.205 real_cost = 159.157 PROTINFO-AB_TS3-scwrl costs 53.538 real_cost = 156.878 PROTINFO-AB_TS3 costs 53.538 real_cost = 157.566 PROTINFO-AB_TS2-scwrl costs 49.535 real_cost = 158.544 PROTINFO-AB_TS2 costs 49.535 real_cost = 168.933 PROTINFO-AB_TS1-scwrl costs 39.146 real_cost = 130.189 PROTINFO-AB_TS1 costs 39.146 real_cost = 149.514 POMYSL_TS5-scwrl costs 115.122 real_cost = 225.541 POMYSL_TS5 costs 115.122 real_cost = 226.058 POMYSL_TS4-scwrl costs 128.220 real_cost = 237.203 POMYSL_TS4 costs 128.220 real_cost = 244.684 POMYSL_TS3-scwrl costs 133.940 real_cost = 211.225 POMYSL_TS3 costs 133.940 real_cost = 221.945 POMYSL_TS2-scwrl costs 153.543 real_cost = 260.776 POMYSL_TS2 costs 153.543 real_cost = 261.619 POMYSL_TS1-scwrl costs 126.745 real_cost = 160.101 POMYSL_TS1 costs 126.745 real_cost = 185.959 NN_PUT_lab_TS1-scwrl costs 59.888 real_cost = 156.021 NN_PUT_lab_TS1 costs 59.738 real_cost = 203.503 MetaTasser_TS5-scwrl costs 86.874 real_cost = 162.370 MetaTasser_TS5 costs 86.874 real_cost = 180.008 MetaTasser_TS4-scwrl costs 58.899 real_cost = 104.284 MetaTasser_TS4 costs 58.899 real_cost = 104.761 MetaTasser_TS3-scwrl costs 43.302 real_cost = 48.043 MetaTasser_TS3 costs 43.302 real_cost = 49.979 MetaTasser_TS2-scwrl costs 93.598 real_cost = 193.001 MetaTasser_TS2 costs 93.598 real_cost = 190.466 MetaTasser_TS1-scwrl costs 59.106 real_cost = 162.081 MetaTasser_TS1 costs 59.106 real_cost = 168.496 Ma-OPUS-server_TS5-scwrl costs 50.202 real_cost = 179.058 Ma-OPUS-server_TS5 costs 50.202 real_cost = 181.405 Ma-OPUS-server_TS4-scwrl costs 74.316 real_cost = 107.461 Ma-OPUS-server_TS4 costs 74.316 real_cost = 110.934 Ma-OPUS-server_TS3-scwrl costs 62.398 real_cost = 148.622 Ma-OPUS-server_TS3 costs 62.398 real_cost = 146.976 Ma-OPUS-server_TS2-scwrl costs 57.997 real_cost = 168.031 Ma-OPUS-server_TS2 costs 57.997 real_cost = 168.038 Ma-OPUS-server_TS1-scwrl costs 53.150 real_cost = 147.695 Ma-OPUS-server_TS1 costs 53.150 real_cost = 149.425 Ma-OPUS-server2_TS5-scwrl costs 51.750 real_cost = 148.131 Ma-OPUS-server2_TS5 costs 51.750 real_cost = 152.784 Ma-OPUS-server2_TS4-scwrl costs 74.786 real_cost = 204.569 Ma-OPUS-server2_TS4 costs 74.786 real_cost = 203.075 Ma-OPUS-server2_TS3-scwrl costs 62.909 real_cost = 150.871 Ma-OPUS-server2_TS3 costs 62.909 real_cost = 157.750 Ma-OPUS-server2_TS2-scwrl costs 57.792 real_cost = 143.708 Ma-OPUS-server2_TS2 costs 57.792 real_cost = 144.355 Ma-OPUS-server2_TS1-scwrl costs 53.416 real_cost = 162.331 Ma-OPUS-server2_TS1 costs 53.416 real_cost = 166.913 MIG_FROST_AL1-scwrl costs 59.775 real_cost = 151.027 MIG_FROST_AL1 costs 59.766 real_cost = 231.233 LOOPP_TS5-scwrl costs 42.628 real_cost = 173.879 LOOPP_TS5 costs 42.617 real_cost = 171.151 LOOPP_TS4-scwrl costs 49.404 real_cost = 110.757 LOOPP_TS4 costs 49.404 real_cost = 117.656 LOOPP_TS3-scwrl costs 56.768 real_cost = 168.097 LOOPP_TS3 costs 56.772 real_cost = 171.925 LOOPP_TS2-scwrl costs 55.183 real_cost = 184.303 LOOPP_TS2 costs 55.183 real_cost = 189.717 LOOPP_TS1-scwrl costs 55.659 real_cost = 134.649 LOOPP_TS1 costs 55.796 real_cost = 137.683 Huber-Torda-Server_TS5-scwrl costs 79.796 real_cost = 252.185 Huber-Torda-Server_TS5 costs 79.800 real_cost = 276.703 Huber-Torda-Server_TS4-scwrl costs 98.283 real_cost = 285.089 Huber-Torda-Server_TS4 costs 98.399 real_cost = 303.997 Huber-Torda-Server_TS3-scwrl costs 65.288 real_cost = 218.218 Huber-Torda-Server_TS3 costs 65.338 real_cost = 256.049 Huber-Torda-Server_TS2-scwrl costs 75.358 real_cost = 244.375 Huber-Torda-Server_TS2 costs 75.390 real_cost = 275.003 Huber-Torda-Server_TS1-scwrl costs 70.592 real_cost = 164.235 Huber-Torda-Server_TS1 costs 70.429 real_cost = 201.439 HHpred3_TS1-scwrl costs 76.675 real_cost = 166.252 HHpred3_TS1 costs 76.675 real_cost = 169.540 HHpred2_TS1-scwrl costs 66.092 real_cost = 135.493 HHpred2_TS1 costs 66.092 real_cost = 148.935 HHpred1_TS1-scwrl costs 66.092 real_cost = 135.493 HHpred1_TS1 costs 66.092 real_cost = 148.935 GeneSilicoMetaServer_TS5-scwrl costs 46.823 real_cost = 123.850 GeneSilicoMetaServer_TS5 costs 46.823 real_cost = 131.922 GeneSilicoMetaServer_TS4-scwrl costs 111.251 real_cost = 241.828 GeneSilicoMetaServer_TS4 costs 111.252 real_cost = 243.482 GeneSilicoMetaServer_TS3-scwrl costs 68.454 real_cost = 338.187 GeneSilicoMetaServer_TS3 costs 68.452 real_cost = 337.258 GeneSilicoMetaServer_TS2-scwrl costs 59.540 real_cost = 74.270 GeneSilicoMetaServer_TS2 costs 59.554 real_cost = 82.044 GeneSilicoMetaServer_TS1-scwrl costs 62.156 real_cost = 104.091 GeneSilicoMetaServer_TS1 costs 62.164 real_cost = 109.127 Frankenstein_TS5-scwrl costs 117.115 real_cost = 230.539 Frankenstein_TS5 costs 117.115 real_cost = 236.901 Frankenstein_TS4-scwrl costs 109.714 real_cost = 231.327 Frankenstein_TS4 costs 109.714 real_cost = 231.021 Frankenstein_TS3-scwrl costs 60.953 real_cost = 191.001 Frankenstein_TS3 costs 60.953 real_cost = 193.835 Frankenstein_TS2-scwrl costs 64.848 real_cost = 193.748 Frankenstein_TS2 costs 64.848 real_cost = 196.960 Frankenstein_TS1-scwrl costs 151.931 real_cost = 315.043 Frankenstein_TS1 costs 151.931 real_cost = 319.792 FUNCTION_TS5-scwrl costs 60.482 real_cost = 180.414 FUNCTION_TS5 costs 60.482 real_cost = 180.825 FUNCTION_TS4-scwrl costs 62.673 real_cost = 140.347 FUNCTION_TS4 costs 62.673 real_cost = 151.026 FUNCTION_TS3-scwrl costs 83.272 real_cost = 194.344 FUNCTION_TS3 costs 83.272 real_cost = 195.491 FUNCTION_TS2-scwrl costs 59.414 real_cost = 130.027 FUNCTION_TS2 costs 59.414 real_cost = 125.305 FUNCTION_TS1-scwrl costs 56.600 real_cost = 170.915 FUNCTION_TS1 costs 56.600 real_cost = 175.688 FUGUE_AL5-scwrl costs 164.832 real_cost = 332.457 FUGUE_AL5 costs 164.782 real_cost = 408.913 FUGUE_AL4-scwrl costs 50.997 real_cost = 219.474 FUGUE_AL4 costs 51.032 real_cost = 303.762 FUGUE_AL3-scwrl costs 66.091 real_cost = 269.234 FUGUE_AL3 costs 66.091 real_cost = 264.484 FUGUE_AL2-scwrl costs 104.525 real_cost = 302.877 FUGUE_AL2 costs 104.614 real_cost = 359.078 FUGUE_AL1-scwrl costs 63.038 real_cost = 328.281 FUGUE_AL1 costs 63.038 real_cost = 325.077 FUGMOD_TS5-scwrl costs 154.847 real_cost = 308.676 FUGMOD_TS5 costs 154.845 real_cost = 316.675 FUGMOD_TS4-scwrl costs 60.332 real_cost = 239.645 FUGMOD_TS4 costs 60.340 real_cost = 243.760 FUGMOD_TS3-scwrl costs 68.246 real_cost = 199.800 FUGMOD_TS3 costs 68.246 real_cost = 190.809 FUGMOD_TS2-scwrl costs 106.598 real_cost = 225.172 FUGMOD_TS2 costs 106.598 real_cost = 231.465 FUGMOD_TS1-scwrl costs 60.289 real_cost = 229.847 FUGMOD_TS1 costs 60.289 real_cost = 235.294 FPSOLVER-SERVER_TS5-scwrl costs 160.012 real_cost = 284.088 FPSOLVER-SERVER_TS5 costs 160.012 real_cost = 288.179 FPSOLVER-SERVER_TS4-scwrl costs 128.231 real_cost = 271.948 FPSOLVER-SERVER_TS4 costs 128.231 real_cost = 278.338 FPSOLVER-SERVER_TS3-scwrl costs 150.891 real_cost = 250.252 FPSOLVER-SERVER_TS3 costs 150.891 real_cost = 257.065 FPSOLVER-SERVER_TS2-scwrl costs 156.221 real_cost = 280.387 FPSOLVER-SERVER_TS2 costs 156.221 real_cost = 285.437 FPSOLVER-SERVER_TS1-scwrl costs 161.764 real_cost = 316.357 FPSOLVER-SERVER_TS1 costs 161.764 real_cost = 316.550 FORTE2_AL5-scwrl costs 60.848 real_cost = 202.287 FORTE2_AL5 costs 60.891 real_cost = 282.344 FORTE2_AL4-scwrl costs 76.665 real_cost = 212.698 FORTE2_AL4 costs 76.642 real_cost = 298.965 FORTE2_AL3-scwrl costs 58.985 real_cost = 196.317 FORTE2_AL3 costs 58.998 real_cost = 268.142 FORTE2_AL2-scwrl costs 72.780 real_cost = 212.794 FORTE2_AL2 costs 72.788 real_cost = 277.188 FORTE2_AL1-scwrl costs 58.349 real_cost = 182.223 FORTE2_AL1 costs 58.404 real_cost = 253.879 FORTE1_AL5-scwrl costs 60.848 real_cost = 202.287 FORTE1_AL5 costs 60.891 real_cost = 282.344 FORTE1_AL4-scwrl costs 76.665 real_cost = 212.698 FORTE1_AL4 costs 76.642 real_cost = 298.965 FORTE1_AL3-scwrl costs 58.985 real_cost = 196.317 FORTE1_AL3 costs 58.998 real_cost = 268.142 FORTE1_AL2-scwrl costs 72.780 real_cost = 212.794 FORTE1_AL2 costs 72.788 real_cost = 277.188 FORTE1_AL1-scwrl costs 58.349 real_cost = 182.223 FORTE1_AL1 costs 58.404 real_cost = 253.879 FOLDpro_TS5-scwrl costs 104.707 real_cost = 245.951 FOLDpro_TS5 costs 104.707 real_cost = 258.191 FOLDpro_TS4-scwrl costs 84.760 real_cost = 202.212 FOLDpro_TS4 costs 84.760 real_cost = 204.649 FOLDpro_TS3-scwrl costs 70.991 real_cost = 215.488 FOLDpro_TS3 costs 70.991 real_cost = 216.588 FOLDpro_TS2-scwrl costs 81.481 real_cost = 235.072 FOLDpro_TS2 costs 81.481 real_cost = 238.367 FOLDpro_TS1-scwrl costs 91.496 real_cost = 250.384 FOLDpro_TS1 costs 91.496 real_cost = 249.392 FAMS_TS5-scwrl costs 52.606 real_cost = 177.354 FAMS_TS5 costs 52.606 real_cost = 182.326 FAMS_TS4-scwrl costs 54.864 real_cost = 216.589 FAMS_TS4 costs 54.864 real_cost = 218.833 FAMS_TS3-scwrl costs 48.619 real_cost = 215.870 FAMS_TS3 costs 48.619 real_cost = 218.120 FAMS_TS2-scwrl costs 48.648 real_cost = 169.246 FAMS_TS2 costs 48.648 real_cost = 174.927 FAMS_TS1-scwrl costs 44.048 real_cost = 165.087 FAMS_TS1 costs 44.048 real_cost = 175.149 FAMSD_TS5-scwrl costs 55.611 real_cost = 193.148 FAMSD_TS5 costs 55.615 real_cost = 191.428 FAMSD_TS4-scwrl costs 54.951 real_cost = 136.536 FAMSD_TS4 costs 54.941 real_cost = 135.821 FAMSD_TS3-scwrl costs 53.550 real_cost = 159.390 FAMSD_TS3 costs 53.550 real_cost = 166.641 FAMSD_TS2-scwrl costs 62.891 real_cost = 175.174 FAMSD_TS2 costs 62.900 real_cost = 179.798 FAMSD_TS1-scwrl costs 59.311 real_cost = 173.223 FAMSD_TS1 costs 59.311 real_cost = 175.994 Distill_TS5-scwrl costs 245.991 real_cost = 372.550 Distill_TS4-scwrl costs 245.898 real_cost = 382.627 Distill_TS3-scwrl costs 248.230 real_cost = 369.398 Distill_TS2-scwrl costs 243.641 real_cost = 368.229 Distill_TS1-scwrl costs 243.979 real_cost = 385.377 CaspIta-FOX_TS5-scwrl costs 73.519 real_cost = 196.755 CaspIta-FOX_TS5 costs 73.519 real_cost = 198.542 CaspIta-FOX_TS4-scwrl costs 114.362 real_cost = 276.757 CaspIta-FOX_TS4 costs 114.359 real_cost = 266.377 CaspIta-FOX_TS3-scwrl costs 123.628 real_cost = 364.139 CaspIta-FOX_TS3 costs 123.616 real_cost = 354.150 CaspIta-FOX_TS2-scwrl costs 93.535 real_cost = 239.246 CaspIta-FOX_TS2 costs 93.526 real_cost = 238.147 CaspIta-FOX_TS1-scwrl costs 69.103 real_cost = 227.812 CaspIta-FOX_TS1 costs 69.114 real_cost = 228.432 CIRCLE_TS5-scwrl costs 60.384 real_cost = 143.367 CIRCLE_TS5 costs 60.384 real_cost = 146.028 CIRCLE_TS4-scwrl costs 67.569 real_cost = 73.793 CIRCLE_TS4 costs 67.569 real_cost = 79.394 CIRCLE_TS3-scwrl costs 64.065 real_cost = 188.403 CIRCLE_TS3 costs 64.065 real_cost = 191.514 CIRCLE_TS2-scwrl costs 60.198 real_cost = 194.101 CIRCLE_TS2 costs 60.198 real_cost = 187.743 CIRCLE_TS1-scwrl costs 58.306 real_cost = 47.478 CIRCLE_TS1 costs 58.306 real_cost = 52.907 Bilab-ENABLE_TS5-scwrl costs 43.831 real_cost = 190.629 Bilab-ENABLE_TS5 costs 43.831 real_cost = 190.629 Bilab-ENABLE_TS4-scwrl costs 44.591 real_cost = 190.994 Bilab-ENABLE_TS4 costs 44.591 real_cost = 190.994 Bilab-ENABLE_TS3-scwrl costs 44.782 real_cost = 180.225 Bilab-ENABLE_TS3 costs 44.782 real_cost = 180.225 Bilab-ENABLE_TS2-scwrl costs 165.999 real_cost = 382.162 Bilab-ENABLE_TS2 costs 165.999 real_cost = 382.162 Bilab-ENABLE_TS1-scwrl costs 59.009 real_cost = 176.021 Bilab-ENABLE_TS1 costs 59.009 real_cost = 176.021 BayesHH_TS1-scwrl costs 68.196 real_cost = 157.524 BayesHH_TS1 costs 68.196 real_cost = 163.291 ABIpro_TS5-scwrl costs 51.620 real_cost = 220.142 ABIpro_TS5 costs 51.620 real_cost = 220.135 ABIpro_TS4-scwrl costs 61.774 real_cost = 201.767 ABIpro_TS4 costs 61.774 real_cost = 201.779 ABIpro_TS3-scwrl costs 55.461 real_cost = 176.471 ABIpro_TS3 costs 55.461 real_cost = 176.471 ABIpro_TS2-scwrl costs 58.185 real_cost = 221.611 ABIpro_TS2 costs 58.185 real_cost = 221.611 ABIpro_TS1-scwrl costs 60.218 real_cost = 204.400 ABIpro_TS1 costs 60.218 real_cost = 204.397 3Dpro_TS5-scwrl costs 84.760 real_cost = 202.212 3Dpro_TS5 costs 84.760 real_cost = 204.649 3Dpro_TS4-scwrl costs 70.991 real_cost = 215.488 3Dpro_TS4 costs 70.991 real_cost = 216.588 3Dpro_TS3-scwrl costs 81.481 real_cost = 235.072 3Dpro_TS3 costs 81.481 real_cost = 238.367 3Dpro_TS2-scwrl costs 91.496 real_cost = 250.384 3Dpro_TS2 costs 91.496 real_cost = 249.392 3Dpro_TS1-scwrl costs 60.218 real_cost = 204.400 3Dpro_TS1 costs 60.218 real_cost = 204.397 3D-JIGSAW_TS2-scwrl costs 85.565 real_cost = 237.073 3D-JIGSAW_TS2 costs 85.565 real_cost = 244.821 3D-JIGSAW_TS1-scwrl costs 74.255 real_cost = 212.747 3D-JIGSAW_TS1 costs 74.265 real_cost = 209.473 3D-JIGSAW_RECOM_TS5-scwrl costs 85.565 real_cost = 237.046 3D-JIGSAW_RECOM_TS5 costs 85.565 real_cost = 244.789 3D-JIGSAW_RECOM_TS4-scwrl costs 85.565 real_cost = 236.519 3D-JIGSAW_RECOM_TS4 costs 85.565 real_cost = 244.252 3D-JIGSAW_RECOM_TS3-scwrl costs 85.565 real_cost = 236.505 3D-JIGSAW_RECOM_TS3 costs 85.565 real_cost = 244.251 3D-JIGSAW_RECOM_TS2-scwrl costs 85.565 real_cost = 237.043 3D-JIGSAW_RECOM_TS2 costs 85.565 real_cost = 244.811 3D-JIGSAW_RECOM_TS1-scwrl costs 85.565 real_cost = 236.775 3D-JIGSAW_RECOM_TS1 costs 85.565 real_cost = 236.793 3D-JIGSAW_POPULUS_TS5-scwrl costs 76.436 real_cost = 196.076 3D-JIGSAW_POPULUS_TS5 costs 76.434 real_cost = 194.345 3D-JIGSAW_POPULUS_TS4-scwrl costs 80.135 real_cost = 197.326 3D-JIGSAW_POPULUS_TS4 costs 80.135 real_cost = 195.782 3D-JIGSAW_POPULUS_TS3-scwrl costs 81.989 real_cost = 190.941 3D-JIGSAW_POPULUS_TS3 costs 82.030 real_cost = 191.219 3D-JIGSAW_POPULUS_TS2-scwrl costs 74.261 real_cost = 194.842 3D-JIGSAW_POPULUS_TS2 costs 74.240 real_cost = 191.804 3D-JIGSAW_POPULUS_TS1-scwrl costs 69.761 real_cost = 195.757 3D-JIGSAW_POPULUS_TS1 costs 69.745 real_cost = 197.898 T0382.try9-opt2.repack-nonPC.pdb.gz costs 44.016 real_cost = 103.010 T0382.try9-opt2.pdb.gz costs 44.016 real_cost = 103.221 T0382.try9-opt2.gromacs0.repack-nonPC.pdb.gz costs 37.635 real_cost = 104.199 T0382.try9-opt2.gromacs0.pdb.gz costs 37.635 real_cost = 103.643 T0382.try9-opt1.pdb.gz costs 40.006 real_cost = 104.042 T0382.try9-opt1-scwrl.pdb.gz costs 40.006 real_cost = 105.595 T0382.try8-opt2.repack-nonPC.pdb.gz costs 50.039 real_cost = 135.827 T0382.try8-opt2.pdb.gz costs 50.039 real_cost = 134.056 T0382.try8-opt2.gromacs0.repack-nonPC.pdb.gz costs 42.044 real_cost = 133.932 T0382.try8-opt2.gromacs0.pdb.gz costs 42.044 real_cost = 132.484 T0382.try8-opt1.pdb.gz costs 45.430 real_cost = 136.213 T0382.try8-opt1-scwrl.pdb.gz costs 45.430 real_cost = 137.710 T0382.try7-opt2.repack-nonPC.pdb.gz costs 46.255 real_cost = 135.271 T0382.try7-opt2.pdb.gz costs 46.255 real_cost = 133.636 T0382.try7-opt2.gromacs0.repack-nonPC.pdb.gz costs 38.142 real_cost = 133.238 T0382.try7-opt2.gromacs0.pdb.gz costs 38.142 real_cost = 131.756 T0382.try7-opt1.pdb.gz costs 42.865 real_cost = 134.962 T0382.try7-opt1-scwrl.pdb.gz costs 42.865 real_cost = 134.706 T0382.try6-opt2.repack-nonPC.pdb.gz costs 65.816 real_cost = 171.639 T0382.try6-opt2.pdb.gz costs 65.816 real_cost = 169.314 T0382.try6-opt2.gromacs0.repack-nonPC.pdb.gz costs 42.154 real_cost = 165.798 T0382.try6-opt2.gromacs0.pdb.gz costs 42.154 real_cost = 163.902 T0382.try6-opt1.pdb.gz costs 60.848 real_cost = 169.942 T0382.try6-opt1-scwrl.pdb.gz costs 60.848 real_cost = 169.547 T0382.try5-opt2.repack-nonPC.pdb.gz costs 44.895 real_cost = 128.649 T0382.try5-opt2.pdb.gz costs 44.895 real_cost = 128.209 T0382.try5-opt2.gromacs0.repack-nonPC.pdb.gz costs 38.675 real_cost = 122.837 T0382.try5-opt2.gromacs0.pdb.gz costs 38.675 real_cost = 127.307 T0382.try5-opt1.pdb.gz costs 43.746 real_cost = 124.446 T0382.try5-opt1-scwrl.pdb.gz costs 43.746 real_cost = 124.063 T0382.try4-opt2.repack-nonPC.pdb.gz costs 49.356 real_cost = 122.546 T0382.try4-opt2.pdb.gz costs 49.356 real_cost = 121.557 T0382.try4-opt2.gromacs0.repack-nonPC.pdb.gz costs 40.716 real_cost = 119.039 T0382.try4-opt2.gromacs0.pdb.gz costs 40.716 real_cost = 120.400 T0382.try4-opt1.pdb.gz costs 47.441 real_cost = 116.312 T0382.try4-opt1-scwrl.pdb.gz costs 47.441 real_cost = 116.707 T0382.try3-opt2.repack-nonPC.pdb.gz costs 40.351 real_cost = 41.090 T0382.try3-opt2.pdb.gz costs 40.351 real_cost = 50.995 T0382.try3-opt2.gromacs0.repack-nonPC.pdb.gz costs 29.922 real_cost = 41.068 T0382.try3-opt2.gromacs0.pdb.gz costs 29.922 real_cost = 51.762 T0382.try3-opt1.pdb.gz costs 36.443 real_cost = 47.948 T0382.try3-opt1-scwrl.pdb.gz costs 36.443 real_cost = 48.795 T0382.try2-opt2.repack-nonPC.pdb.gz costs 36.155 real_cost = 75.288 T0382.try2-opt2.pdb.gz costs 36.155 real_cost = 79.756 T0382.try2-opt2.gromacs0.repack-nonPC.pdb.gz costs 33.333 real_cost = 76.965 T0382.try2-opt2.gromacs0.pdb.gz costs 33.333 real_cost = 80.489 T0382.try2-opt1.pdb.gz costs 37.659 real_cost = 78.815 T0382.try2-opt1-scwrl.pdb.gz costs 37.659 real_cost = 79.334 T0382.try13-opt2.repack-nonPC.pdb.gz costs 39.443 real_cost = 89.488 T0382.try13-opt2.pdb.gz costs 39.443 real_cost = 87.567 T0382.try13-opt2.gromacs0.repack-nonPC.pdb.gz costs 34.573 real_cost = 93.198 T0382.try13-opt2.gromacs0.pdb.gz costs 34.573 real_cost = 88.469 T0382.try13-opt1.pdb.gz costs 34.210 real_cost = 100.314 T0382.try13-opt1-scwrl.pdb.gz costs 34.210 real_cost = 101.497 T0382.try12-opt2.repack-nonPC.pdb.gz costs 40.204 real_cost = 74.713 T0382.try12-opt2.pdb.gz costs 40.204 real_cost = 74.490 T0382.try12-opt2.gromacs0.repack-nonPC.pdb.gz costs 30.555 real_cost = 74.629 T0382.try12-opt2.gromacs0.pdb.gz costs 30.555 real_cost = 73.854 T0382.try12-opt1.pdb.gz costs 37.952 real_cost = 76.220 T0382.try12-opt1-scwrl.pdb.gz costs 37.952 real_cost = 75.790 T0382.try11-opt2.repack-nonPC.pdb.gz costs 55.333 real_cost = 106.753 T0382.try11-opt2.pdb.gz costs 55.333 real_cost = 104.090 T0382.try11-opt2.gromacs0.repack-nonPC.pdb.gz costs 45.066 real_cost = 107.285 T0382.try11-opt2.gromacs0.pdb.gz costs 45.066 real_cost = 102.675 T0382.try11-opt1.pdb.gz costs 50.919 real_cost = 105.271 T0382.try11-opt1-scwrl.pdb.gz costs 50.919 real_cost = 107.819 T0382.try10-opt2.repack-nonPC.pdb.gz costs 51.082 real_cost = 157.010 T0382.try10-opt2.pdb.gz costs 51.082 real_cost = 155.211 T0382.try10-opt2.gromacs0.repack-nonPC.pdb.gz costs 41.154 real_cost = 156.085 T0382.try10-opt2.gromacs0.pdb.gz costs 41.154 real_cost = 151.748 T0382.try10-opt1.pdb.gz costs 49.374 real_cost = 156.573 T0382.try10-opt1-scwrl.pdb.gz costs 49.374 real_cost = 156.602 T0382.try1-opt2.repack-nonPC.pdb.gz costs 46.533 real_cost = 131.100 T0382.try1-opt2.pdb.gz costs 46.533 real_cost = 135.336 T0382.try1-opt2.gromacs0.repack-nonPC.pdb.gz costs 37.007 real_cost = 132.219 T0382.try1-opt2.gromacs0.pdb.gz costs 37.007 real_cost = 136.429 T0382.try1-opt1.pdb.gz costs 40.345 real_cost = 133.329 T0382.try1-opt1-scwrl.pdb.gz costs 40.345 real_cost = 132.169 ../model5.ts-submitted costs 46.255 real_cost = 133.462 ../model4.ts-submitted costs 49.356 real_cost = 121.148 ../model3.ts-submitted costs 40.204 real_cost = 74.627 ../model2.ts-submitted costs 36.155 real_cost = 79.749 ../model1.ts-submitted costs 40.351 real_cost = 50.994 align5 costs 62.056 real_cost = 275.679 align4 costs 125.536 real_cost = 402.261 align3 costs 130.746 real_cost = 389.464 align2 costs 62.304 real_cost = 285.698 align1 costs 49.390 real_cost = 119.072 T0382.try1-opt2.pdb costs 46.533 real_cost = 135.343 model5-scwrl costs 46.255 real_cost = 132.344 model5.ts-submitted costs 46.255 real_cost = 133.462 model4-scwrl costs 49.356 real_cost = 116.463 model4.ts-submitted costs 49.356 real_cost = 121.148 model3-scwrl costs 40.204 real_cost = 78.191 model3.ts-submitted costs 40.204 real_cost = 74.627 model2-scwrl costs 36.155 real_cost = 77.291 model2.ts-submitted costs 36.155 real_cost = 79.749 model1-scwrl costs 40.351 real_cost = 46.309 model1.ts-submitted costs 40.351 real_cost = 50.994 2i9cA costs 33.886 real_cost = -888.600 # command:CPU_time= 796.277 sec, elapsed time= 1124.176 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/T0382'