make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0374' /projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0374.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/T0374.} ;\ 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/T0374/ -e s/START_COL/1/ \ -e s/COSTFCN/anglevector/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2i6cA/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1182620805 # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/atoms-inputs/ # command:# reading monomeric-50pc.atoms # #computed average backbone with maximum peptide_sq_deviance = 0.002 # computed average trans backbone unit from 8101 examples # computed average cis backbone unit from 20 examples # computed average trans backbone unit before proline from 332 examples # trans (non-proline) backbone unit: # CA= -2.2101 1.0129 -0.0033 # O= -0.1508 2.2440 0.0016 # C= -0.6897 1.1364 -0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4583 -0.0000 -0.0000 # cis backbone unit: # CA= -0.1438 2.4522 0.0007 # O= -2.0283 0.9702 0.0005 # C= -0.8017 1.0759 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4664 -0.0000 0.0000 # trans backbone unit before proline: # CA= -2.2110 1.0636 -0.0014 # O= -0.1234 2.2469 0.0075 # C= -0.6877 1.1518 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4665 0.0000 0.0000 # After reading monomeric-50pc.atoms have 448 chains in training database # Count of chains,residues,atoms: 448,112605,876684 # 111048 residues have no bad marker # 665 residues lack atoms needed to compute omega # 322 residues have cis peptide # number of each bad type: # NON_STANDARD_RESIDUE 6 # HAS_OXT 325 # TOO_MANY_ATOMS 1 # TOO_FEW_ATOMS 523 # HAS_UNKNOWN_ATOMS 2 # HAS_DUPLICATE_ATOMS 0 # CHAIN_BREAK_BEFORE 208 # NON_PLANAR_PEPTIDE 143 # BAD_PEPTIDE 685 # Note: may sum to more than number of residues, # because one residue may have multiple problems # command:# Reading rotamer library from dunbrack-1332.rot # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # command:# ReadAtomType exp-pdb.types Read AtomType exp-pdb with 49 types. # command:# ReadClashTable exp-pdb-2191-2symm.clash # Read ClashTable exp-pdb-2191-2symm checking bonds symmetric at MaxSep 2 # command:# command:CPU_time= 9.469 sec, elapsed time= 9.583 sec. # command:# Reading spots from monomeric-50pc-dry-5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-5.hist # created burial cost function dry5 with radius 5.000 with spots at monomeric-50pc-dry-5.spot # command:# Reading spots from monomeric-50pc-wet-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-wet-6.5.hist # created burial cost function wet6.5 with radius 6.500 with spots at monomeric-50pc-wet-6.5.spot # command:# Reading spots from monomeric-50pc-dry-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-6.5.hist # created burial cost function dry6.5 with radius 6.500 with spots at monomeric-50pc-dry-6.5.spot # command:# Reading spots from monomeric-50pc-generic-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-generic-6.5.hist # created burial cost function gen6.5 with radius 6.500 with spots at monomeric-50pc-generic-6.5.spot # command:# Reading spots from near-backbone-center.spot # reading histogram from smoothed-near-backbone-2spot.hist # Reading spots from near-backbone-count.spot # created burial cost function near_backbone with radius 9.650 with spots at near-backbone-center.spot counting only near-backbone-count.spot # command:# Reading spots from way-back-center.spot # reading histogram from smoothed-way-back-2spot.hist # Reading spots from way-back-count.spot # created burial cost function way_back with radius 8.900 with spots at way-back-center.spot counting only way-back-count.spot # command:# Reading spots from monomeric-50pc-dry-8.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-8.hist # created burial cost function dry8 with radius 8.000 with spots at monomeric-50pc-dry-8.spot # command:# Reading spots from monomeric-50pc-dry-10.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-10.hist # created burial cost function dry10 with radius 10.000 with spots at monomeric-50pc-dry-10.spot # command:# Reading spots from monomeric-50pc-dry-12.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-12.hist # created burial cost function dry12 with radius 12.000 with spots at monomeric-50pc-dry-12.spot # command:# reading histogram from dunbrack-2191-alpha.hist # created alpha cost function alpha with offset 0 and 360 bins # command:# reading histogram from dunbrack-2191-alpha-1.hist # created alpha cost function alpha_prev with offset -1 and 360 bins # command:# Prefix for input files set to /projects/compbio/lib/alphabet/ # command:# Read 3 alphabets from alpha.alphabet # command:CPU_time= 9.586 sec, elapsed time= 9.723 sec. # command:# Prefix for input files set to # command:# Making conformation for sequence T0374 numbered 1 through 160 Created new target T0374 from T0374.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2i6cA expands to /projects/compbio/data/pdb/2i6c.pdb.gz 2i6cA: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 10, because occupancy 0.5 <= existing 0.500 in 2i6cA Skipped atom 12, because occupancy 0.500 <= existing 0.500 in 2i6cA Skipped atom 14, because occupancy 0.500 <= existing 0.500 in 2i6cA Skipped atom 16, because occupancy 0.500 <= existing 0.500 in 2i6cA Skipped atom 18, because occupancy 0.500 <= existing 0.500 in 2i6cA Skipped atom 20, because occupancy 0.500 <= existing 0.500 in 2i6cA Skipped atom 22, because occupancy 0.500 <= existing 0.500 in 2i6cA Skipped atom 24, because occupancy 0.500 <= existing 0.500 in 2i6cA Skipped atom 26, because occupancy 0.500 <= existing 0.500 in 2i6cA Skipped atom 178, because occupancy 0.500 <= existing 0.500 in 2i6cA Skipped atom 180, because occupancy 0.500 <= existing 0.500 in 2i6cA Skipped atom 182, because occupancy 0.500 <= existing 0.500 in 2i6cA Skipped atom 184, because occupancy 0.500 <= existing 0.500 in 2i6cA Skipped atom 186, because occupancy 0.500 <= existing 0.500 in 2i6cA Skipped atom 188, because occupancy 0.500 <= existing 0.500 in 2i6cA Skipped atom 190, because occupancy 0.500 <= existing 0.500 in 2i6cA Skipped atom 192, because occupancy 0.500 <= existing 0.500 in 2i6cA Skipped atom 194, because occupancy 0.500 <= existing 0.500 in 2i6cA Skipped atom 196, because occupancy 0.500 <= existing 0.500 in 2i6cA Skipped atom 198, because occupancy 0.500 <= existing 0.500 in 2i6cA 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 658, because occupancy 0.500 <= existing 0.500 in 2i6cA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 660, because occupancy 0.500 <= existing 0.500 in 2i6cA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 662, because occupancy 0.500 <= existing 0.500 in 2i6cA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 664, because occupancy 0.500 <= existing 0.500 in 2i6cA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 666, because occupancy 0.500 <= existing 0.500 in 2i6cA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 668, because occupancy 0.500 <= existing 0.500 in 2i6cA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 670, because occupancy 0.500 <= existing 0.500 in 2i6cA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 672, because occupancy 0.500 <= existing 0.500 in 2i6cA Skipped atom 742, because occupancy 0.500 <= existing 0.500 in 2i6cA Skipped atom 744, because occupancy 0.500 <= existing 0.500 in 2i6cA Skipped atom 746, because occupancy 0.500 <= existing 0.500 in 2i6cA Skipped atom 748, because occupancy 0.500 <= existing 0.500 in 2i6cA Skipped atom 750, because occupancy 0.500 <= existing 0.500 in 2i6cA Skipped atom 752, because occupancy 0.500 <= existing 0.500 in 2i6cA Skipped atom 754, because occupancy 0.500 <= existing 0.500 in 2i6cA Skipped atom 756, because occupancy 0.500 <= existing 0.500 in 2i6cA Skipped atom 758, because occupancy 0.500 <= existing 0.500 in 2i6cA Skipped atom 760, because occupancy 0.500 <= existing 0.500 in 2i6cA Skipped atom 762, because occupancy 0.500 <= existing 0.500 in 2i6cA 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 852, because occupancy 0.500 <= existing 0.500 in 2i6cA Skipped atom 854, because occupancy 0.500 <= existing 0.500 in 2i6cA Skipped atom 856, because occupancy 0.500 <= existing 0.500 in 2i6cA Skipped atom 858, because occupancy 0.500 <= existing 0.500 in 2i6cA Skipped atom 860, because occupancy 0.500 <= existing 0.500 in 2i6cA Skipped atom 862, because occupancy 0.500 <= existing 0.500 in 2i6cA Skipped atom 864, because occupancy 0.500 <= existing 0.500 in 2i6cA Skipped atom 866, because occupancy 0.500 <= existing 0.500 in 2i6cA Skipped atom 868, because occupancy 0.500 <= existing 0.500 in 2i6cA 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 1196, because occupancy 0.500 <= existing 0.500 in 2i6cA Skipped atom 1198, because occupancy 0.500 <= existing 0.500 in 2i6cA Skipped atom 1200, because occupancy 0.500 <= existing 0.500 in 2i6cA Skipped atom 1202, because occupancy 0.500 <= existing 0.500 in 2i6cA Skipped atom 1204, because occupancy 0.500 <= existing 0.500 in 2i6cA Skipped atom 1206, because occupancy 0.500 <= existing 0.500 in 2i6cA Skipped atom 1208, because occupancy 0.500 <= existing 0.500 in 2i6cA Skipped atom 1210, because occupancy 0.500 <= existing 0.500 in 2i6cA Skipped atom 1212, because occupancy 0.500 <= existing 0.500 in 2i6cA Skipped atom 1214, because occupancy 0.500 <= existing 0.500 in 2i6cA Skipped atom 1216, because occupancy 0.500 <= existing 0.500 in 2i6cA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Read 160 residues and 1251 atoms. # command:# Saving current conformation as real # command:# Prefix for output files set to decoys/ # command:# SetRealCost created real_cost = # ( 50.000 * real_hbond + 50.000 * real_hbond_u + 50.000 * decoy_hbond + 50.000 * decoy_hbond_u + 10.000 * real_NO_hbond + 10.000 * real_NO_hbond_u + 10.000 * decoy_NO_hbond + 10.000 * decoy_NO_hbond_u + 10.000 * knot + 200.000 * clens + 0.000 * rmsd + 35.000 * log_rmsd + 0.000 * rmsd_ca + 30.000 * log_rmsd_ca + 1.000 * GDT + 1.000 * smooth_GDT + 0.200 * missing_atoms ) # command:# SetCost created cost = # ) # command:# reading script from file anglevector.costfcn # Prefix for input files set to /projects/compbio/lib/alphabet/ # Read 2 alphabets from anglevector.alphabet # Prefix for input files set to # CreateCombinedNNet created CombinedNNet bys_t2k # CreateCombinedNNet created CombinedNNet bys_t04 # CreateCombinedNNet created CombinedNNet bys_t06 # CreateCombinedNNet created CombinedNNet bys_mean # created predicted AngleVectorPredCostFcn pred_bys_t2k # created predicted AngleVectorPredCostFcn pred_bys_t04 # created predicted AngleVectorPredCostFcn pred_bys_t06 # created predicted AngleVectorPredCostFcn pred_bys_mean # CreateCombinedNNet created CombinedNNet pb_t2k # CreateCombinedNNet created CombinedNNet pb_t04 # CreateCombinedNNet created CombinedNNet pb_t06 # CreateCombinedNNet created CombinedNNet pb_mean # created predicted AngleVectorPredCostFcn pred_pb_t2k # created predicted AngleVectorPredCostFcn pred_pb_t04 # created predicted AngleVectorPredCostFcn pred_pb_t06 # created predicted AngleVectorPredCostFcn pred_pb_mean # SetCost created cost = # ( 5.000 * bystroff + 5.000 * pred_bys_t2k + 5.000 * pred_bys_t04 + 5.000 * pred_bys_t06 + 5.000 * pred_bys_mean + 5.000 * pred_pb_t2k + 5.000 * pred_pb_t04 + 5.000 * pred_pb_t06 + 5.000 * pred_pb_mean ) # command:CPU_time= 13.718 sec, elapsed time= 14.021 sec. # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file model1.ts-submitted looking for model 1 # choosing archetypes in rotamer library # Found a chain break before 154 # 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 = -71.250 # GDT_score(maxd=8.000,maxw=2.900)= -74.513 # GDT_score(maxd=8.000,maxw=3.200)= -70.933 # GDT_score(maxd=8.000,maxw=3.500)= -67.683 # GDT_score(maxd=10.000,maxw=3.800)= -70.563 # GDT_score(maxd=10.000,maxw=4.000)= -68.526 # GDT_score(maxd=10.000,maxw=4.200)= -66.451 # GDT_score(maxd=12.000,maxw=4.300)= -70.093 # GDT_score(maxd=12.000,maxw=4.500)= -68.051 # GDT_score(maxd=12.000,maxw=4.700)= -65.948 # GDT_score(maxd=14.000,maxw=5.200)= -64.693 # GDT_score(maxd=14.000,maxw=5.500)= -61.812 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0374.model1-real.pdb for output Error: Couldn't open file T0374.model1-real.pdb for output superimposing iter= 0 total_weight= 1890.000 rmsd (weighted)= 4.020 (unweighted)= 4.459 superimposing iter= 1 total_weight= 5483.971 rmsd (weighted)= 1.739 (unweighted)= 4.485 superimposing iter= 2 total_weight= 2620.053 rmsd (weighted)= 1.160 (unweighted)= 4.531 superimposing iter= 3 total_weight= 1756.876 rmsd (weighted)= 0.967 (unweighted)= 4.565 superimposing iter= 4 total_weight= 1407.159 rmsd (weighted)= 0.905 (unweighted)= 4.589 superimposing iter= 5 total_weight= 1336.134 rmsd (weighted)= 0.872 (unweighted)= 4.605 EXPDTA model1.ts-submitted MODEL 1 REMARK 44 REMARK 44 model 1 is called model1.ts-submitted ATOM 1 N MET A 1 19.863 33.422 8.303 1.00 0.00 ATOM 2 CA MET A 1 21.185 32.841 7.937 1.00 0.00 ATOM 3 CB MET A 1 21.668 31.873 9.034 1.00 0.00 ATOM 4 CG MET A 1 21.386 30.392 8.772 1.00 0.00 ATOM 5 SD MET A 1 22.055 29.213 10.164 1.00 0.00 ATOM 6 CE MET A 1 23.790 28.797 9.430 1.00 0.00 ATOM 7 O MET A 1 19.962 31.973 6.060 1.00 0.00 ATOM 8 C MET A 1 21.057 32.110 6.601 1.00 0.00 ATOM 9 N GLN A 2 22.174 31.647 6.053 1.00 0.00 ATOM 10 CA GLN A 2 22.134 30.943 4.778 1.00 0.00 ATOM 11 CB GLN A 2 23.819 30.483 4.704 1.00 0.00 ATOM 12 CG GLN A 2 24.790 31.260 5.571 1.00 0.00 ATOM 13 CD GLN A 2 24.902 32.705 5.149 1.00 0.00 ATOM 14 OE1 GLN A 2 23.982 33.499 5.363 1.00 0.00 ATOM 15 NE2 GLN A 2 26.026 33.055 4.535 1.00 0.00 ATOM 16 O GLN A 2 20.753 29.246 3.910 1.00 0.00 ATOM 17 C GLN A 2 21.345 29.661 4.889 1.00 0.00 ATOM 18 N LEU A 3 21.304 29.050 6.068 1.00 0.00 ATOM 19 CA LEU A 3 20.553 27.825 6.275 1.00 0.00 ATOM 20 CB LEU A 3 21.431 26.791 7.022 1.00 0.00 ATOM 21 CG LEU A 3 22.663 26.311 6.246 1.00 0.00 ATOM 22 CD1 LEU A 3 23.545 25.474 7.172 1.00 0.00 ATOM 23 CD2 LEU A 3 22.271 25.550 4.987 1.00 0.00 ATOM 24 O LEU A 3 19.418 28.862 8.105 1.00 0.00 ATOM 25 C LEU A 3 19.339 28.094 7.148 1.00 0.00 ATOM 26 N SER A 4 18.252 27.413 6.838 1.00 0.00 ATOM 27 CA SER A 4 17.026 27.543 7.630 1.00 0.00 ATOM 28 CB SER A 4 16.108 28.566 6.960 1.00 0.00 ATOM 29 OG SER A 4 16.719 29.842 6.905 1.00 0.00 ATOM 30 O SER A 4 16.394 25.373 6.839 1.00 0.00 ATOM 31 C SER A 4 16.307 26.208 7.739 1.00 0.00 ATOM 32 N HIS A 5 15.557 26.034 8.819 1.00 0.00 ATOM 33 CA HIS A 5 14.831 24.799 9.047 1.00 0.00 ATOM 34 CB HIS A 5 15.356 24.042 10.274 1.00 0.00 ATOM 35 CG HIS A 5 15.326 24.856 11.533 1.00 0.00 ATOM 36 CD2 HIS A 5 16.226 25.698 12.104 1.00 0.00 ATOM 37 ND1 HIS A 5 14.210 24.929 12.350 1.00 0.00 ATOM 38 CE1 HIS A 5 14.427 25.739 13.362 1.00 0.00 ATOM 39 NE2 HIS A 5 15.659 26.205 13.219 1.00 0.00 ATOM 40 O HIS A 5 13.068 26.196 9.878 1.00 0.00 ATOM 41 C HIS A 5 13.376 25.146 9.308 1.00 0.00 ATOM 42 N ARG A 6 12.478 24.217 8.440 1.00 0.00 ATOM 43 CA ARG A 6 11.044 24.470 8.531 1.00 0.00 ATOM 44 CB ARG A 6 10.514 25.023 7.208 1.00 0.00 ATOM 45 CG ARG A 6 11.110 26.363 6.810 1.00 0.00 ATOM 46 CD ARG A 6 10.620 27.477 7.721 1.00 0.00 ATOM 47 NE ARG A 6 11.104 28.788 7.291 1.00 0.00 ATOM 48 CZ ARG A 6 12.270 29.312 7.657 1.00 0.00 ATOM 49 NH1 ARG A 6 12.626 30.510 7.216 1.00 0.00 ATOM 50 NH2 ARG A 6 13.075 28.634 8.463 1.00 0.00 ATOM 51 O ARG A 6 10.560 22.138 8.266 1.00 0.00 ATOM 52 C ARG A 6 10.274 23.192 8.837 1.00 0.00 ATOM 53 N PRO A 7 9.294 23.289 9.730 1.00 0.00 ATOM 54 CA PRO A 7 8.476 22.132 10.076 1.00 0.00 ATOM 55 CB PRO A 7 7.721 22.576 11.332 1.00 0.00 ATOM 56 CG PRO A 7 7.669 24.064 11.229 1.00 0.00 ATOM 57 CD PRO A 7 8.935 24.478 10.529 1.00 0.00 ATOM 58 O PRO A 7 6.928 22.755 8.353 1.00 0.00 ATOM 59 C PRO A 7 7.552 21.844 8.898 1.00 0.00 ATOM 60 N ALA A 8 7.477 20.578 8.501 1.00 0.00 ATOM 61 CA ALA A 8 6.641 20.186 7.370 1.00 0.00 ATOM 62 CB ALA A 8 6.989 18.776 6.918 1.00 0.00 ATOM 63 O ALA A 8 4.719 19.812 8.762 1.00 0.00 ATOM 64 C ALA A 8 5.147 20.204 7.679 1.00 0.00 ATOM 65 N GLU A 9 4.357 20.662 6.713 1.00 0.00 ATOM 66 CA GLU A 9 2.907 20.706 6.873 1.00 0.00 ATOM 67 CB GLU A 9 2.391 22.141 6.736 1.00 0.00 ATOM 68 CG GLU A 9 2.954 23.105 7.767 1.00 0.00 ATOM 69 CD GLU A 9 2.420 22.846 9.162 1.00 0.00 ATOM 70 OE1 GLU A 9 1.467 22.051 9.293 1.00 0.00 ATOM 71 OE2 GLU A 9 2.958 23.436 10.120 1.00 0.00 ATOM 72 O GLU A 9 2.953 19.211 4.999 1.00 0.00 ATOM 73 C GLU A 9 2.265 19.845 5.803 1.00 0.00 ATOM 74 N THR A 10 0.869 19.800 5.811 1.00 0.00 ATOM 75 CA THR A 10 0.137 18.989 4.859 1.00 0.00 ATOM 76 CB THR A 10 -1.385 19.138 5.042 1.00 0.00 ATOM 77 CG2 THR A 10 -2.130 18.311 4.006 1.00 0.00 ATOM 78 OG1 THR A 10 -1.758 18.689 6.351 1.00 0.00 ATOM 79 O THR A 10 0.487 18.534 2.535 1.00 0.00 ATOM 80 C THR A 10 0.452 19.386 3.418 1.00 0.00 ATOM 81 N GLY A 11 0.689 20.671 3.182 1.00 0.00 ATOM 82 CA GLY A 11 0.990 21.141 1.834 1.00 0.00 ATOM 83 O GLY A 11 2.677 20.843 0.156 1.00 0.00 ATOM 84 C GLY A 11 2.379 20.742 1.346 1.00 0.00 ATOM 85 N ASP A 12 3.224 20.279 2.262 1.00 0.00 ATOM 86 CA ASP A 12 4.579 19.859 1.909 1.00 0.00 ATOM 87 CB ASP A 12 5.533 20.078 3.086 1.00 0.00 ATOM 88 CG ASP A 12 5.667 21.541 3.465 1.00 0.00 ATOM 89 OD1 ASP A 12 5.882 22.372 2.559 1.00 0.00 ATOM 90 OD2 ASP A 12 5.554 21.855 4.668 1.00 0.00 ATOM 91 O ASP A 12 5.721 17.850 1.302 1.00 0.00 ATOM 92 C ASP A 12 4.644 18.381 1.549 1.00 0.00 ATOM 93 N LEU A 13 3.488 17.725 1.522 1.00 0.00 ATOM 94 CA LEU A 13 3.409 16.297 1.222 1.00 0.00 ATOM 95 CB LEU A 13 2.003 15.780 1.062 1.00 0.00 ATOM 96 CG LEU A 13 1.110 16.033 2.290 1.00 0.00 ATOM 97 CD1 LEU A 13 -0.203 15.350 2.049 1.00 0.00 ATOM 98 CD2 LEU A 13 1.743 15.543 3.559 1.00 0.00 ATOM 99 O LEU A 13 4.933 14.948 -0.042 1.00 0.00 ATOM 100 C LEU A 13 4.125 15.874 -0.056 1.00 0.00 ATOM 101 N GLU A 14 3.822 16.545 -1.165 1.00 0.00 ATOM 102 CA GLU A 14 4.440 16.201 -2.438 1.00 0.00 ATOM 103 CB GLU A 14 3.874 17.073 -3.561 1.00 0.00 ATOM 104 CG GLU A 14 2.433 16.754 -3.929 1.00 0.00 ATOM 105 CD GLU A 14 1.868 17.716 -4.956 1.00 0.00 ATOM 106 OE1 GLU A 14 2.578 18.675 -5.325 1.00 0.00 ATOM 107 OE2 GLU A 14 0.715 17.510 -5.392 1.00 0.00 ATOM 108 O GLU A 14 6.697 15.535 -2.912 1.00 0.00 ATOM 109 C GLU A 14 5.954 16.392 -2.431 1.00 0.00 ATOM 110 N THR A 15 6.407 17.516 -1.890 1.00 0.00 ATOM 111 CA THR A 15 7.839 17.798 -1.822 1.00 0.00 ATOM 112 CB THR A 15 8.027 19.307 -1.455 1.00 0.00 ATOM 113 CG2 THR A 15 9.508 19.651 -1.280 1.00 0.00 ATOM 114 OG1 THR A 15 7.458 20.080 -2.501 1.00 0.00 ATOM 115 O THR A 15 9.666 16.371 -1.211 1.00 0.00 ATOM 116 C THR A 15 8.563 16.821 -0.909 1.00 0.00 ATOM 117 N VAL A 16 7.933 16.510 0.198 1.00 0.00 ATOM 118 CA VAL A 16 8.535 15.581 1.142 1.00 0.00 ATOM 119 CB VAL A 16 7.665 15.390 2.398 1.00 0.00 ATOM 120 CG1 VAL A 16 8.196 14.244 3.244 1.00 0.00 ATOM 121 CG2 VAL A 16 7.668 16.655 3.244 1.00 0.00 ATOM 122 O VAL A 16 9.715 13.573 0.578 1.00 0.00 ATOM 123 C VAL A 16 8.683 14.224 0.456 1.00 0.00 ATOM 124 N ALA A 17 7.650 13.812 -0.274 1.00 0.00 ATOM 125 CA ALA A 17 7.672 12.526 -0.969 1.00 0.00 ATOM 126 CB ALA A 17 6.327 12.264 -1.637 1.00 0.00 ATOM 127 O ALA A 17 9.483 11.421 -2.089 1.00 0.00 ATOM 128 C ALA A 17 8.780 12.448 -1.998 1.00 0.00 ATOM 129 N GLY A 18 8.973 13.468 -2.800 1.00 0.00 ATOM 130 CA GLY A 18 10.014 13.452 -3.805 1.00 0.00 ATOM 131 O GLY A 18 12.300 12.761 -3.633 1.00 0.00 ATOM 132 C GLY A 18 11.406 13.479 -3.192 1.00 0.00 ATOM 133 N PHE A 19 11.636 14.334 -2.154 1.00 0.00 ATOM 134 CA PHE A 19 12.943 14.413 -1.505 1.00 0.00 ATOM 135 CB PHE A 19 12.937 15.533 -0.463 1.00 0.00 ATOM 136 CG PHE A 19 12.832 16.908 -1.055 1.00 0.00 ATOM 137 CD1 PHE A 19 13.105 17.126 -2.394 1.00 0.00 ATOM 138 CD2 PHE A 19 12.459 17.989 -0.271 1.00 0.00 ATOM 139 CE1 PHE A 19 13.009 18.392 -2.938 1.00 0.00 ATOM 140 CE2 PHE A 19 12.363 19.256 -0.814 1.00 0.00 ATOM 141 CZ PHE A 19 12.635 19.459 -2.143 1.00 0.00 ATOM 142 O PHE A 19 14.410 12.630 -0.826 1.00 0.00 ATOM 143 C PHE A 19 13.266 13.087 -0.808 1.00 0.00 ATOM 144 N PRO A 20 12.256 12.477 -0.190 1.00 0.00 ATOM 145 CA PRO A 20 12.447 11.194 0.500 1.00 0.00 ATOM 146 CB PRO A 20 11.069 10.885 1.091 1.00 0.00 ATOM 147 CG PRO A 20 10.454 12.222 1.327 1.00 0.00 ATOM 148 CD PRO A 20 10.848 13.075 0.153 1.00 0.00 ATOM 149 O PRO A 20 13.828 9.342 -0.184 1.00 0.00 ATOM 150 C PRO A 20 12.895 10.096 -0.467 1.00 0.00 ATOM 151 N GLN A 21 12.229 10.022 -1.615 1.00 0.00 ATOM 152 CA GLN A 21 12.552 9.017 -2.622 1.00 0.00 ATOM 153 CB GLN A 21 11.638 9.097 -3.793 1.00 0.00 ATOM 154 CG GLN A 21 11.831 7.986 -4.791 1.00 0.00 ATOM 155 CD GLN A 21 10.732 7.987 -5.847 1.00 0.00 ATOM 156 OE1 GLN A 21 10.721 8.844 -6.717 1.00 0.00 ATOM 157 NE2 GLN A 21 9.762 7.088 -5.726 1.00 0.00 ATOM 158 O GLN A 21 14.725 8.206 -3.252 1.00 0.00 ATOM 159 C GLN A 21 13.964 9.173 -3.194 1.00 0.00 ATOM 160 N ASP A 22 14.322 10.396 -3.574 1.00 0.00 ATOM 161 CA ASP A 22 15.633 10.672 -4.152 1.00 0.00 ATOM 162 CB ASP A 22 15.752 12.150 -4.531 1.00 0.00 ATOM 163 CG ASP A 22 14.938 12.504 -5.759 1.00 0.00 ATOM 164 OD1 ASP A 22 14.476 11.574 -6.454 1.00 0.00 ATOM 165 OD2 ASP A 22 14.760 13.710 -6.026 1.00 0.00 ATOM 166 O ASP A 22 17.686 9.601 -3.519 1.00 0.00 ATOM 167 C ASP A 22 16.768 10.351 -3.185 1.00 0.00 ATOM 168 N ARG A 23 16.704 10.913 -1.984 1.00 0.00 ATOM 169 CA ARG A 23 17.762 10.682 -1.008 1.00 0.00 ATOM 170 CB ARG A 23 17.529 11.532 0.244 1.00 0.00 ATOM 171 CG ARG A 23 17.703 13.025 0.020 1.00 0.00 ATOM 172 CD ARG A 23 17.559 13.799 1.320 1.00 0.00 ATOM 173 NE ARG A 23 17.613 15.242 1.105 1.00 0.00 ATOM 174 CZ ARG A 23 16.548 16.007 0.888 1.00 0.00 ATOM 175 NH1 ARG A 23 16.694 17.311 0.704 1.00 0.00 ATOM 176 NH2 ARG A 23 15.338 15.463 0.853 1.00 0.00 ATOM 177 O ARG A 23 18.983 8.711 -0.405 1.00 0.00 ATOM 178 C ARG A 23 17.875 9.222 -0.569 1.00 0.00 ATOM 179 N ASP A 24 16.725 8.548 -0.367 1.00 0.00 ATOM 180 CA ASP A 24 16.734 7.148 0.052 1.00 0.00 ATOM 181 CB ASP A 24 15.307 6.661 0.310 1.00 0.00 ATOM 182 CG ASP A 24 15.259 5.232 0.826 1.00 0.00 ATOM 183 OD1 ASP A 24 15.483 4.297 0.026 1.00 0.00 ATOM 184 OD2 ASP A 24 14.998 5.047 2.034 1.00 0.00 ATOM 185 O ASP A 24 18.272 5.436 -0.628 1.00 0.00 ATOM 186 C ASP A 24 17.429 6.267 -0.978 1.00 0.00 ATOM 187 N GLU A 25 17.081 6.450 -2.246 1.00 0.00 ATOM 188 CA GLU A 25 17.692 5.664 -3.318 1.00 0.00 ATOM 189 CB GLU A 25 17.169 6.171 -4.654 1.00 0.00 ATOM 190 CG GLU A 25 17.746 5.579 -5.914 1.00 0.00 ATOM 191 CD GLU A 25 16.980 6.015 -7.170 1.00 0.00 ATOM 192 OE1 GLU A 25 16.403 7.151 -7.187 1.00 0.00 ATOM 193 OE2 GLU A 25 16.959 5.225 -8.150 1.00 0.00 ATOM 194 O GLU A 25 19.912 4.788 -3.516 1.00 0.00 ATOM 195 C GLU A 25 19.208 5.784 -3.337 1.00 0.00 ATOM 196 N LEU A 26 19.708 6.996 -3.150 1.00 0.00 ATOM 197 CA LEU A 26 21.144 7.222 -3.154 1.00 0.00 ATOM 198 CB LEU A 26 21.452 8.715 -3.344 1.00 0.00 ATOM 199 CG LEU A 26 20.917 9.324 -4.645 1.00 0.00 ATOM 200 CD1 LEU A 26 21.386 10.763 -4.767 1.00 0.00 ATOM 201 CD2 LEU A 26 21.401 8.510 -5.842 1.00 0.00 ATOM 202 O LEU A 26 22.922 6.163 -1.943 1.00 0.00 ATOM 203 C LEU A 26 21.809 6.686 -1.890 1.00 0.00 ATOM 204 N PHE A 27 21.139 6.792 -0.752 1.00 0.00 ATOM 205 CA PHE A 27 21.703 6.284 0.493 1.00 0.00 ATOM 206 CB PHE A 27 21.585 7.256 1.614 1.00 0.00 ATOM 207 CG PHE A 27 22.344 8.533 1.368 1.00 0.00 ATOM 208 CD1 PHE A 27 23.657 8.495 0.908 1.00 0.00 ATOM 209 CD2 PHE A 27 21.749 9.769 1.593 1.00 0.00 ATOM 210 CE1 PHE A 27 24.367 9.669 0.675 1.00 0.00 ATOM 211 CE2 PHE A 27 22.452 10.952 1.362 1.00 0.00 ATOM 212 CZ PHE A 27 23.763 10.901 0.901 1.00 0.00 ATOM 213 O PHE A 27 21.696 4.032 1.298 1.00 0.00 ATOM 214 C PHE A 27 21.030 5.004 0.935 1.00 0.00 ATOM 215 N TYR A 28 19.651 5.046 1.151 1.00 0.00 ATOM 216 CA TYR A 28 18.904 3.926 1.649 1.00 0.00 ATOM 217 CB TYR A 28 17.807 4.379 2.625 1.00 0.00 ATOM 218 CG TYR A 28 18.324 4.727 4.005 1.00 0.00 ATOM 219 CD1 TYR A 28 18.907 5.957 4.274 1.00 0.00 ATOM 220 CD2 TYR A 28 18.201 3.829 5.047 1.00 0.00 ATOM 221 CE1 TYR A 28 19.409 6.251 5.533 1.00 0.00 ATOM 222 CE2 TYR A 28 18.673 4.110 6.323 1.00 0.00 ATOM 223 CZ TYR A 28 19.279 5.329 6.543 1.00 0.00 ATOM 224 OH TYR A 28 19.757 5.611 7.812 1.00 0.00 ATOM 225 O TYR A 28 18.225 3.768 -0.624 1.00 0.00 ATOM 226 C TYR A 28 18.272 3.227 0.468 1.00 0.00 ATOM 227 N CYS A 29 17.810 2.004 0.719 1.00 0.00 ATOM 228 CA CYS A 29 17.140 1.245 -0.326 1.00 0.00 ATOM 229 CB CYS A 29 17.070 -0.215 0.069 1.00 0.00 ATOM 230 SG CYS A 29 18.672 -1.023 0.159 1.00 0.00 ATOM 231 O CYS A 29 15.460 1.968 -1.830 1.00 0.00 ATOM 232 C CYS A 29 15.758 1.830 -0.635 1.00 0.00 ATOM 233 N TYR A 30 14.996 0.197 -1.659 1.00 0.00 ATOM 234 CA TYR A 30 13.948 0.193 -2.672 1.00 0.00 ATOM 235 CB TYR A 30 14.102 -1.014 -3.598 1.00 0.00 ATOM 236 CG TYR A 30 13.027 -1.116 -4.657 1.00 0.00 ATOM 237 CD1 TYR A 30 13.088 -0.342 -5.808 1.00 0.00 ATOM 238 CD2 TYR A 30 11.957 -1.988 -4.503 1.00 0.00 ATOM 239 CE1 TYR A 30 12.109 -0.428 -6.780 1.00 0.00 ATOM 240 CE2 TYR A 30 10.970 -2.087 -5.465 1.00 0.00 ATOM 241 CZ TYR A 30 11.055 -1.298 -6.611 1.00 0.00 ATOM 242 OH TYR A 30 10.080 -1.385 -7.578 1.00 0.00 ATOM 243 O TYR A 30 11.655 0.861 -2.392 1.00 0.00 ATOM 244 C TYR A 30 12.571 0.125 -2.018 1.00 0.00 ATOM 245 N PRO A 31 12.429 -0.769 -1.045 1.00 0.00 ATOM 246 CA PRO A 31 11.160 -0.938 -0.343 1.00 0.00 ATOM 247 CB PRO A 31 11.376 -2.091 0.594 1.00 0.00 ATOM 248 CG PRO A 31 12.382 -2.939 -0.106 1.00 0.00 ATOM 249 CD PRO A 31 13.347 -1.907 -0.692 1.00 0.00 ATOM 250 O PRO A 31 9.586 0.758 0.310 1.00 0.00 ATOM 251 C PRO A 31 10.737 0.331 0.400 1.00 0.00 ATOM 252 N LYS A 32 11.670 0.944 1.119 1.00 0.00 ATOM 253 CA LYS A 32 11.358 2.156 1.868 1.00 0.00 ATOM 254 CB LYS A 32 12.554 2.565 2.715 1.00 0.00 ATOM 255 CG LYS A 32 12.752 1.697 3.918 1.00 0.00 ATOM 256 CD LYS A 32 14.009 2.077 4.703 1.00 0.00 ATOM 257 CE LYS A 32 14.061 1.227 5.968 1.00 0.00 ATOM 258 NZ LYS A 32 15.239 1.574 6.790 1.00 0.00 ATOM 259 O LYS A 32 10.122 4.139 1.266 1.00 0.00 ATOM 260 C LYS A 32 11.028 3.351 0.969 1.00 0.00 ATOM 261 N ALA A 33 11.777 3.495 -0.121 1.00 0.00 ATOM 262 CA ALA A 33 11.532 4.576 -1.064 1.00 0.00 ATOM 263 CB ALA A 33 12.530 4.501 -2.210 1.00 0.00 ATOM 264 O ALA A 33 9.420 5.483 -1.783 1.00 0.00 ATOM 265 C ALA A 33 10.123 4.476 -1.645 1.00 0.00 ATOM 266 N ILE A 34 9.687 3.252 -1.932 1.00 0.00 ATOM 267 CA ILE A 34 8.358 3.040 -2.490 1.00 0.00 ATOM 268 CB ILE A 34 8.194 1.605 -3.025 1.00 0.00 ATOM 269 CG1 ILE A 34 9.184 1.342 -4.161 1.00 0.00 ATOM 270 CG2 ILE A 34 6.783 1.392 -3.554 1.00 0.00 ATOM 271 CD1 ILE A 34 9.038 2.292 -5.328 1.00 0.00 ATOM 272 O ILE A 34 6.153 3.736 -1.797 1.00 0.00 ATOM 273 C ILE A 34 7.239 3.257 -1.468 1.00 0.00 ATOM 274 N TRP A 35 7.299 2.434 -0.262 1.00 0.00 ATOM 275 CA TRP A 35 6.176 2.340 0.665 1.00 0.00 ATOM 276 CB TRP A 35 6.156 0.851 1.232 1.00 0.00 ATOM 277 CG TRP A 35 4.988 0.636 2.126 1.00 0.00 ATOM 278 CD1 TRP A 35 3.690 0.348 1.786 1.00 0.00 ATOM 279 CD2 TRP A 35 4.990 0.772 3.557 1.00 0.00 ATOM 280 CE2 TRP A 35 3.673 0.550 4.016 1.00 0.00 ATOM 281 CE3 TRP A 35 5.990 1.070 4.485 1.00 0.00 ATOM 282 NE1 TRP A 35 2.912 0.261 2.914 1.00 0.00 ATOM 283 CZ2 TRP A 35 3.319 0.594 5.354 1.00 0.00 ATOM 284 CZ3 TRP A 35 5.636 1.124 5.805 1.00 0.00 ATOM 285 CH2 TRP A 35 4.330 0.905 6.271 1.00 0.00 ATOM 286 O TRP A 35 5.235 3.964 2.158 1.00 0.00 ATOM 287 C TRP A 35 6.219 3.281 1.878 1.00 0.00 ATOM 288 N PRO A 36 7.359 3.343 2.595 1.00 0.00 ATOM 289 CA PRO A 36 7.456 4.235 3.757 1.00 0.00 ATOM 290 CB PRO A 36 8.720 3.772 4.572 1.00 0.00 ATOM 291 CG PRO A 36 9.125 2.517 3.856 1.00 0.00 ATOM 292 CD PRO A 36 8.351 2.339 2.563 1.00 0.00 ATOM 293 O PRO A 36 6.900 6.492 4.338 1.00 0.00 ATOM 294 C PRO A 36 7.322 5.721 3.474 1.00 0.00 ATOM 295 N PHE A 37 7.654 6.131 2.259 1.00 0.00 ATOM 296 CA PHE A 37 7.623 7.549 1.942 1.00 0.00 ATOM 297 CB PHE A 37 9.074 7.990 1.562 1.00 0.00 ATOM 298 CG PHE A 37 10.102 7.737 2.637 1.00 0.00 ATOM 299 CD1 PHE A 37 11.045 6.725 2.508 1.00 0.00 ATOM 300 CD2 PHE A 37 10.084 8.477 3.808 1.00 0.00 ATOM 301 CE1 PHE A 37 11.979 6.482 3.520 1.00 0.00 ATOM 302 CE2 PHE A 37 11.009 8.233 4.820 1.00 0.00 ATOM 303 CZ PHE A 37 11.957 7.234 4.673 1.00 0.00 ATOM 304 O PHE A 37 6.775 9.061 0.285 1.00 0.00 ATOM 305 C PHE A 37 6.604 8.007 0.907 1.00 0.00 ATOM 306 N SER A 38 5.555 7.220 0.690 1.00 0.00 ATOM 307 CA SER A 38 4.548 7.633 -0.262 1.00 0.00 ATOM 308 CB SER A 38 3.576 6.486 -0.547 1.00 0.00 ATOM 309 OG SER A 38 2.799 6.177 0.595 1.00 0.00 ATOM 310 O SER A 38 4.143 9.263 1.443 1.00 0.00 ATOM 311 C SER A 38 3.909 8.899 0.294 1.00 0.00 ATOM 312 N VAL A 39 3.095 9.585 -0.475 1.00 0.00 ATOM 313 CA VAL A 39 2.432 10.794 -0.005 1.00 0.00 ATOM 314 CB VAL A 39 1.619 11.439 -1.192 1.00 0.00 ATOM 315 CG1 VAL A 39 0.656 12.506 -0.731 1.00 0.00 ATOM 316 CG2 VAL A 39 2.513 11.967 -2.251 1.00 0.00 ATOM 317 O VAL A 39 1.531 11.245 2.172 1.00 0.00 ATOM 318 C VAL A 39 1.479 10.539 1.161 1.00 0.00 ATOM 319 N ALA A 40 0.648 9.554 1.036 1.00 0.00 ATOM 320 CA ALA A 40 -0.311 9.223 2.091 1.00 0.00 ATOM 321 CB ALA A 40 -1.179 8.050 1.658 1.00 0.00 ATOM 322 O ALA A 40 0.029 9.237 4.469 1.00 0.00 ATOM 323 C ALA A 40 0.426 8.851 3.362 1.00 0.00 ATOM 324 N GLN A 41 1.491 8.038 3.215 1.00 0.00 ATOM 325 CA GLN A 41 2.234 7.639 4.373 1.00 0.00 ATOM 326 CB GLN A 41 3.363 6.724 3.894 1.00 0.00 ATOM 327 CG GLN A 41 4.231 6.174 5.012 1.00 0.00 ATOM 328 CD GLN A 41 3.468 5.253 5.945 1.00 0.00 ATOM 329 OE1 GLN A 41 2.725 4.379 5.498 1.00 0.00 ATOM 330 NE2 GLN A 41 3.650 5.447 7.244 1.00 0.00 ATOM 331 O GLN A 41 2.808 8.963 6.282 1.00 0.00 ATOM 332 C GLN A 41 2.871 8.840 5.060 1.00 0.00 ATOM 333 N LEU A 42 3.473 9.747 4.280 1.00 0.00 ATOM 334 CA LEU A 42 4.106 10.927 4.861 1.00 0.00 ATOM 335 CB LEU A 42 4.881 11.696 3.788 1.00 0.00 ATOM 336 CG LEU A 42 6.132 11.010 3.234 1.00 0.00 ATOM 337 CD1 LEU A 42 6.705 11.801 2.068 1.00 0.00 ATOM 338 CD2 LEU A 42 7.204 10.902 4.308 1.00 0.00 ATOM 339 O LEU A 42 3.368 12.464 6.530 1.00 0.00 ATOM 340 C LEU A 42 3.117 11.857 5.487 1.00 0.00 ATOM 341 N ALA A 43 1.949 11.963 4.882 1.00 0.00 ATOM 342 CA ALA A 43 0.913 12.829 5.413 1.00 0.00 ATOM 343 CB ALA A 43 -0.304 12.815 4.501 1.00 0.00 ATOM 344 O ALA A 43 0.350 13.142 7.737 1.00 0.00 ATOM 345 C ALA A 43 0.524 12.341 6.813 1.00 0.00 ATOM 346 N ALA A 44 0.406 11.024 6.970 1.00 0.00 ATOM 347 CA ALA A 44 0.057 10.431 8.259 1.00 0.00 ATOM 348 CB ALA A 44 -0.092 8.924 8.128 1.00 0.00 ATOM 349 O ALA A 44 0.833 11.131 10.423 1.00 0.00 ATOM 350 C ALA A 44 1.133 10.711 9.301 1.00 0.00 ATOM 351 N ALA A 45 2.390 10.488 8.923 1.00 0.00 ATOM 352 CA ALA A 45 3.512 10.682 9.837 1.00 0.00 ATOM 353 CB ALA A 45 4.818 10.297 9.163 1.00 0.00 ATOM 354 O ALA A 45 3.921 12.457 11.403 1.00 0.00 ATOM 355 C ALA A 45 3.605 12.150 10.256 1.00 0.00 ATOM 356 N ILE A 46 3.415 13.039 9.322 1.00 0.00 ATOM 357 CA ILE A 46 3.533 14.459 9.600 1.00 0.00 ATOM 358 CB ILE A 46 3.334 15.287 8.308 1.00 0.00 ATOM 359 CG1 ILE A 46 4.584 15.081 7.422 1.00 0.00 ATOM 360 CG2 ILE A 46 3.129 16.775 8.600 1.00 0.00 ATOM 361 CD1 ILE A 46 4.302 15.382 5.939 1.00 0.00 ATOM 362 O ILE A 46 2.834 15.672 11.549 1.00 0.00 ATOM 363 C ILE A 46 2.520 14.895 10.644 1.00 0.00 ATOM 364 N ALA A 47 1.309 14.386 10.513 1.00 0.00 ATOM 365 CA ALA A 47 0.284 14.766 11.496 1.00 0.00 ATOM 366 CB ALA A 47 -1.076 14.165 11.095 1.00 0.00 ATOM 367 O ALA A 47 0.574 15.061 13.861 1.00 0.00 ATOM 368 C ALA A 47 0.708 14.316 12.883 1.00 0.00 ATOM 369 N GLU A 48 1.236 13.098 12.974 1.00 0.00 ATOM 370 CA GLU A 48 1.658 12.641 14.306 1.00 0.00 ATOM 371 CB GLU A 48 2.069 11.156 14.233 1.00 0.00 ATOM 372 CG GLU A 48 0.917 10.173 13.974 1.00 0.00 ATOM 373 CD GLU A 48 0.007 9.918 15.148 1.00 0.00 ATOM 374 OE1 GLU A 48 0.146 10.594 16.174 1.00 0.00 ATOM 375 OE2 GLU A 48 -0.849 9.003 14.996 1.00 0.00 ATOM 376 O GLU A 48 2.884 13.804 16.051 1.00 0.00 ATOM 377 C GLU A 48 2.808 13.497 14.833 1.00 0.00 ATOM 378 N ARG A 49 2.675 11.714 16.363 1.00 0.00 ATOM 379 CA ARG A 49 3.933 11.409 17.036 1.00 0.00 ATOM 380 CB ARG A 49 3.585 10.377 18.174 1.00 0.00 ATOM 381 CG ARG A 49 4.548 10.335 19.342 1.00 0.00 ATOM 382 CD ARG A 49 4.017 9.405 20.419 1.00 0.00 ATOM 383 NE ARG A 49 3.847 8.046 19.915 1.00 0.00 ATOM 384 CZ ARG A 49 3.087 7.124 20.494 1.00 0.00 ATOM 385 NH1 ARG A 49 2.418 7.413 21.601 1.00 0.00 ATOM 386 NH2 ARG A 49 2.995 5.909 19.964 1.00 0.00 ATOM 387 O ARG A 49 6.245 10.989 16.549 1.00 0.00 ATOM 388 C ARG A 49 5.166 11.427 16.143 1.00 0.00 ATOM 389 N ARG A 50 4.993 11.943 14.930 1.00 0.00 ATOM 390 CA ARG A 50 6.073 12.055 13.957 1.00 0.00 ATOM 391 CB ARG A 50 5.913 11.013 12.856 1.00 0.00 ATOM 392 CG ARG A 50 5.987 9.602 13.394 1.00 0.00 ATOM 393 CD ARG A 50 6.004 8.540 12.317 1.00 0.00 ATOM 394 NE ARG A 50 5.953 7.217 12.923 1.00 0.00 ATOM 395 CZ ARG A 50 5.817 6.089 12.238 1.00 0.00 ATOM 396 NH1 ARG A 50 5.707 6.121 10.914 1.00 0.00 ATOM 397 NH2 ARG A 50 5.783 4.931 12.885 1.00 0.00 ATOM 398 O ARG A 50 5.139 14.152 13.272 1.00 0.00 ATOM 399 C ARG A 50 6.161 13.485 13.446 1.00 0.00 ATOM 400 N GLY A 51 7.380 13.956 13.213 1.00 0.00 ATOM 401 CA GLY A 51 7.563 15.307 12.715 1.00 0.00 ATOM 402 O GLY A 51 9.768 14.744 11.923 1.00 0.00 ATOM 403 C GLY A 51 8.704 15.332 11.703 1.00 0.00 ATOM 404 N SER A 52 8.456 15.993 10.576 1.00 0.00 ATOM 405 CA SER A 52 9.439 16.122 9.505 1.00 0.00 ATOM 406 CB SER A 52 8.832 15.672 8.176 1.00 0.00 ATOM 407 OG SER A 52 9.725 15.906 7.101 1.00 0.00 ATOM 408 O SER A 52 9.048 18.473 9.572 1.00 0.00 ATOM 409 C SER A 52 9.869 17.578 9.403 1.00 0.00 ATOM 410 N THR A 53 11.146 17.804 9.104 1.00 0.00 ATOM 411 CA THR A 53 11.678 19.152 8.931 1.00 0.00 ATOM 412 CB THR A 53 12.516 19.592 10.144 1.00 0.00 ATOM 413 CG2 THR A 53 13.047 21.004 9.941 1.00 0.00 ATOM 414 OG1 THR A 53 11.701 19.569 11.324 1.00 0.00 ATOM 415 O THR A 53 13.196 18.201 7.336 1.00 0.00 ATOM 416 C THR A 53 12.518 19.169 7.660 1.00 0.00 ATOM 417 N VAL A 54 12.479 20.279 6.938 1.00 0.00 ATOM 418 CA VAL A 54 13.273 20.444 5.728 1.00 0.00 ATOM 419 CB VAL A 54 12.490 21.010 4.529 1.00 0.00 ATOM 420 CG1 VAL A 54 13.426 21.274 3.358 1.00 0.00 ATOM 421 CG2 VAL A 54 11.422 20.026 4.078 1.00 0.00 ATOM 422 O VAL A 54 14.044 22.511 6.736 1.00 0.00 ATOM 423 C VAL A 54 14.335 21.525 6.046 1.00 0.00 ATOM 424 N ALA A 55 15.531 21.265 5.642 1.00 0.00 ATOM 425 CA ALA A 55 16.616 22.236 5.815 1.00 0.00 ATOM 426 CB ALA A 55 17.841 21.538 6.368 1.00 0.00 ATOM 427 O ALA A 55 17.007 22.136 3.447 1.00 0.00 ATOM 428 C ALA A 55 16.954 22.842 4.455 1.00 0.00 ATOM 429 N VAL A 56 17.133 24.157 4.433 1.00 0.00 ATOM 430 CA VAL A 56 17.433 24.879 3.199 1.00 0.00 ATOM 431 CB VAL A 56 16.320 25.887 2.856 1.00 0.00 ATOM 432 CG1 VAL A 56 15.005 25.165 2.607 1.00 0.00 ATOM 433 CG2 VAL A 56 16.120 26.869 4.001 1.00 0.00 ATOM 434 O VAL A 56 19.089 26.185 4.339 1.00 0.00 ATOM 435 C VAL A 56 18.707 25.700 3.276 1.00 0.00 ATOM 436 N HIS A 57 19.363 25.848 2.131 1.00 0.00 ATOM 437 CA HIS A 57 20.569 26.649 2.024 1.00 0.00 ATOM 438 CB HIS A 57 21.776 25.732 1.827 1.00 0.00 ATOM 439 CG HIS A 57 23.084 26.457 1.771 1.00 0.00 ATOM 440 CD2 HIS A 57 24.004 26.858 0.717 1.00 0.00 ATOM 441 ND1 HIS A 57 23.720 26.934 2.896 1.00 0.00 ATOM 442 CE1 HIS A 57 24.866 27.537 2.530 1.00 0.00 ATOM 443 NE2 HIS A 57 25.041 27.494 1.223 1.00 0.00 ATOM 444 O HIS A 57 20.138 27.072 -0.298 1.00 0.00 ATOM 445 C HIS A 57 20.337 27.554 0.817 1.00 0.00 ATOM 446 N ASP A 58 20.291 28.860 1.057 1.00 0.00 ATOM 447 CA ASP A 58 20.060 29.820 -0.014 1.00 0.00 ATOM 448 CB ASP A 58 21.176 29.715 -1.056 1.00 0.00 ATOM 449 CG ASP A 58 22.531 30.095 -0.497 1.00 0.00 ATOM 450 OD1 ASP A 58 22.639 31.176 0.119 1.00 0.00 ATOM 451 OD2 ASP A 58 23.488 29.312 -0.674 1.00 0.00 ATOM 452 O ASP A 58 18.581 29.763 -1.914 1.00 0.00 ATOM 453 C ASP A 58 18.711 29.585 -0.700 1.00 0.00 ATOM 454 N GLY A 59 17.698 29.182 0.070 1.00 0.00 ATOM 455 CA GLY A 59 16.365 28.940 -0.455 1.00 0.00 ATOM 456 O GLY A 59 15.143 27.296 -1.703 1.00 0.00 ATOM 457 C GLY A 59 16.218 27.612 -1.194 1.00 0.00 ATOM 458 N GLN A 60 17.263 26.871 -1.261 1.00 0.00 ATOM 459 CA GLN A 60 17.246 25.577 -1.938 1.00 0.00 ATOM 460 CB GLN A 60 18.569 25.417 -2.689 1.00 0.00 ATOM 461 CG GLN A 60 18.664 26.492 -3.783 1.00 0.00 ATOM 462 CD GLN A 60 17.468 26.384 -4.715 1.00 0.00 ATOM 463 OE1 GLN A 60 17.238 25.329 -5.317 1.00 0.00 ATOM 464 NE2 GLN A 60 16.696 27.459 -4.831 1.00 0.00 ATOM 465 O GLN A 60 17.965 24.385 0.008 1.00 0.00 ATOM 466 C GLN A 60 17.208 24.408 -0.957 1.00 0.00 ATOM 467 N VAL A 61 16.320 23.446 -1.207 1.00 0.00 ATOM 468 CA VAL A 61 16.192 22.278 -0.339 1.00 0.00 ATOM 469 CB VAL A 61 15.050 21.354 -0.800 1.00 0.00 ATOM 470 CG1 VAL A 61 14.998 20.100 0.057 1.00 0.00 ATOM 471 CG2 VAL A 61 13.710 22.068 -0.689 1.00 0.00 ATOM 472 O VAL A 61 17.986 21.054 -1.434 1.00 0.00 ATOM 473 C VAL A 61 17.503 21.502 -0.360 1.00 0.00 ATOM 474 N LEU A 62 18.102 21.363 0.820 1.00 0.00 ATOM 475 CA LEU A 62 19.355 20.611 0.961 1.00 0.00 ATOM 476 CB LEU A 62 20.365 21.431 1.766 1.00 0.00 ATOM 477 CG LEU A 62 20.736 22.802 1.194 1.00 0.00 ATOM 478 CD1 LEU A 62 21.680 23.539 2.134 1.00 0.00 ATOM 479 CD2 LEU A 62 21.426 22.653 -0.153 1.00 0.00 ATOM 480 O LEU A 62 20.178 18.447 1.559 1.00 0.00 ATOM 481 C LEU A 62 19.263 19.257 1.663 1.00 0.00 ATOM 482 N GLY A 63 18.144 19.192 2.563 1.00 0.00 ATOM 483 CA GLY A 63 17.927 17.899 3.186 1.00 0.00 ATOM 484 O GLY A 63 16.030 18.901 4.221 1.00 0.00 ATOM 485 C GLY A 63 16.752 17.913 4.136 1.00 0.00 ATOM 486 N PHE A 64 16.534 16.814 4.845 1.00 0.00 ATOM 487 CA PHE A 64 15.420 16.769 5.782 1.00 0.00 ATOM 488 CB PHE A 64 14.098 16.328 5.142 1.00 0.00 ATOM 489 CG PHE A 64 13.946 14.864 4.818 1.00 0.00 ATOM 490 CD1 PHE A 64 14.716 14.254 3.821 1.00 0.00 ATOM 491 CD2 PHE A 64 13.048 14.058 5.519 1.00 0.00 ATOM 492 CE1 PHE A 64 14.565 12.906 3.543 1.00 0.00 ATOM 493 CE2 PHE A 64 12.871 12.724 5.229 1.00 0.00 ATOM 494 CZ PHE A 64 13.650 12.167 4.243 1.00 0.00 ATOM 495 O PHE A 64 16.592 14.956 6.834 1.00 0.00 ATOM 496 C PHE A 64 15.657 15.758 6.886 1.00 0.00 ATOM 497 N ALA A 65 14.803 15.828 7.898 1.00 0.00 ATOM 498 CA ALA A 65 14.859 14.911 9.022 1.00 0.00 ATOM 499 CB ALA A 65 15.612 15.538 10.189 1.00 0.00 ATOM 500 O ALA A 65 12.591 15.391 9.544 1.00 0.00 ATOM 501 C ALA A 65 13.453 14.521 9.460 1.00 0.00 ATOM 502 N ASN A 66 13.272 13.244 9.755 1.00 0.00 ATOM 503 CA ASN A 66 11.995 12.761 10.284 1.00 0.00 ATOM 504 CB ASN A 66 11.521 11.588 9.449 1.00 0.00 ATOM 505 CG ASN A 66 10.171 11.091 9.917 1.00 0.00 ATOM 506 ND2 ASN A 66 9.383 10.568 8.980 1.00 0.00 ATOM 507 OD1 ASN A 66 9.843 11.156 11.097 1.00 0.00 ATOM 508 O ASN A 66 13.055 11.248 11.796 1.00 0.00 ATOM 509 C ASN A 66 12.259 12.179 11.656 1.00 0.00 ATOM 510 N PHE A 67 11.580 12.711 12.668 1.00 0.00 ATOM 511 CA PHE A 67 11.738 12.220 14.032 1.00 0.00 ATOM 512 CB PHE A 67 12.149 13.362 14.963 1.00 0.00 ATOM 513 CG PHE A 67 11.116 14.442 15.091 1.00 0.00 ATOM 514 CD1 PHE A 67 10.140 14.374 16.072 1.00 0.00 ATOM 515 CD2 PHE A 67 11.116 15.527 14.233 1.00 0.00 ATOM 516 CE1 PHE A 67 9.187 15.369 16.190 1.00 0.00 ATOM 517 CE2 PHE A 67 10.163 16.521 14.350 1.00 0.00 ATOM 518 CZ PHE A 67 9.202 16.445 15.323 1.00 0.00 ATOM 519 O PHE A 67 9.345 12.023 14.103 1.00 0.00 ATOM 520 C PHE A 67 10.427 11.610 14.529 1.00 0.00 ATOM 521 N TYR A 68 10.537 10.647 15.451 1.00 0.00 ATOM 522 CA TYR A 68 9.385 9.983 16.039 1.00 0.00 ATOM 523 CB TYR A 68 9.268 8.532 15.553 1.00 0.00 ATOM 524 CG TYR A 68 8.137 7.769 16.208 1.00 0.00 ATOM 525 CD1 TYR A 68 6.807 8.156 16.025 1.00 0.00 ATOM 526 CD2 TYR A 68 8.392 6.660 17.011 1.00 0.00 ATOM 527 CE1 TYR A 68 5.760 7.457 16.623 1.00 0.00 ATOM 528 CE2 TYR A 68 7.349 5.951 17.619 1.00 0.00 ATOM 529 CZ TYR A 68 6.041 6.354 17.418 1.00 0.00 ATOM 530 OH TYR A 68 5.019 5.651 18.011 1.00 0.00 ATOM 531 O TYR A 68 10.534 9.664 18.111 1.00 0.00 ATOM 532 C TYR A 68 9.577 10.172 17.537 1.00 0.00 ATOM 533 N GLN A 69 8.681 10.930 18.153 1.00 0.00 ATOM 534 CA GLN A 69 8.777 11.221 19.573 1.00 0.00 ATOM 535 CB GLN A 69 8.592 12.728 19.801 1.00 0.00 ATOM 536 CG GLN A 69 9.280 13.300 21.028 1.00 0.00 ATOM 537 CD GLN A 69 8.672 12.895 22.364 1.00 0.00 ATOM 538 OE1 GLN A 69 9.401 12.698 23.336 1.00 0.00 ATOM 539 NE2 GLN A 69 7.339 12.801 22.433 1.00 0.00 ATOM 540 O GLN A 69 6.581 10.548 20.256 1.00 0.00 ATOM 541 C GLN A 69 7.796 10.439 20.423 1.00 0.00 ATOM 542 N TRP A 70 8.218 9.439 21.294 1.00 0.00 ATOM 543 CA TRP A 70 7.366 8.638 22.155 1.00 0.00 ATOM 544 CB TRP A 70 8.057 7.305 22.329 1.00 0.00 ATOM 545 CG TRP A 70 7.358 6.250 23.179 1.00 0.00 ATOM 546 CD1 TRP A 70 6.235 6.452 23.950 1.00 0.00 ATOM 547 CD2 TRP A 70 7.736 4.898 23.273 1.00 0.00 ATOM 548 CE2 TRP A 70 6.821 4.281 24.176 1.00 0.00 ATOM 549 CE3 TRP A 70 8.744 4.114 22.701 1.00 0.00 ATOM 550 NE1 TRP A 70 5.969 5.239 24.593 1.00 0.00 ATOM 551 CZ2 TRP A 70 6.968 2.960 24.562 1.00 0.00 ATOM 552 CZ3 TRP A 70 8.824 2.774 23.005 1.00 0.00 ATOM 553 CH2 TRP A 70 7.938 2.210 23.953 1.00 0.00 ATOM 554 O TRP A 70 8.099 9.360 24.321 1.00 0.00 ATOM 555 C TRP A 70 7.235 9.429 23.445 1.00 0.00 ATOM 556 N GLN A 71 6.161 10.202 23.543 1.00 0.00 ATOM 557 CA GLN A 71 5.923 11.042 24.709 1.00 0.00 ATOM 558 CB GLN A 71 4.672 11.909 24.497 1.00 0.00 ATOM 559 CG GLN A 71 4.704 12.787 23.254 1.00 0.00 ATOM 560 CD GLN A 71 3.359 13.454 23.018 1.00 0.00 ATOM 561 OE1 GLN A 71 3.038 13.864 21.898 1.00 0.00 ATOM 562 NE2 GLN A 71 2.574 13.555 24.085 1.00 0.00 ATOM 563 O GLN A 71 5.950 10.762 27.085 1.00 0.00 ATOM 564 C GLN A 71 5.688 10.259 25.997 1.00 0.00 ATOM 565 N HIS A 72 5.216 9.021 25.864 1.00 0.00 ATOM 566 CA HIS A 72 4.940 8.167 27.017 1.00 0.00 ATOM 567 CB HIS A 72 3.918 7.084 26.589 1.00 0.00 ATOM 568 CG HIS A 72 2.549 7.623 26.319 1.00 0.00 ATOM 569 CD2 HIS A 72 2.023 8.210 25.221 1.00 0.00 ATOM 570 ND1 HIS A 72 1.551 7.621 27.269 1.00 0.00 ATOM 571 CE1 HIS A 72 0.462 8.171 26.760 1.00 0.00 ATOM 572 NE2 HIS A 72 0.723 8.538 25.517 1.00 0.00 ATOM 573 O HIS A 72 6.155 7.378 28.924 1.00 0.00 ATOM 574 C HIS A 72 6.204 7.717 27.743 1.00 0.00 ATOM 575 N GLY A 73 7.338 7.739 27.047 1.00 0.00 ATOM 576 CA GLY A 73 8.606 7.324 27.649 1.00 0.00 ATOM 577 O GLY A 73 10.814 8.216 27.977 1.00 0.00 ATOM 578 C GLY A 73 9.705 8.374 27.467 1.00 0.00 ATOM 579 N ASP A 74 9.216 9.493 26.774 1.00 0.00 ATOM 580 CA ASP A 74 10.191 10.557 26.554 1.00 0.00 ATOM 581 CB ASP A 74 10.515 11.302 27.892 1.00 0.00 ATOM 582 CG ASP A 74 9.337 11.738 28.705 1.00 0.00 ATOM 583 OD1 ASP A 74 8.253 12.040 28.186 1.00 0.00 ATOM 584 OD2 ASP A 74 9.373 11.792 29.946 1.00 0.00 ATOM 585 O ASP A 74 12.568 10.283 26.263 1.00 0.00 ATOM 586 C ASP A 74 11.437 10.048 25.837 1.00 0.00 ATOM 587 N PHE A 75 11.202 9.309 24.758 1.00 0.00 ATOM 588 CA PHE A 75 12.263 8.764 23.917 1.00 0.00 ATOM 589 CB PHE A 75 11.762 7.191 23.812 1.00 0.00 ATOM 590 CG PHE A 75 12.219 6.388 24.991 1.00 0.00 ATOM 591 CD1 PHE A 75 13.506 5.855 25.026 1.00 0.00 ATOM 592 CD2 PHE A 75 11.380 6.194 26.081 1.00 0.00 ATOM 593 CE1 PHE A 75 13.948 5.142 26.141 1.00 0.00 ATOM 594 CE2 PHE A 75 11.816 5.485 27.200 1.00 0.00 ATOM 595 CZ PHE A 75 13.102 4.958 27.227 1.00 0.00 ATOM 596 O PHE A 75 10.958 8.941 21.930 1.00 0.00 ATOM 597 C PHE A 75 12.072 9.160 22.436 1.00 0.00 ATOM 598 N CYS A 76 13.322 9.568 21.859 1.00 0.00 ATOM 599 CA CYS A 76 13.109 9.961 20.464 1.00 0.00 ATOM 600 CB CYS A 76 13.324 11.488 20.304 1.00 0.00 ATOM 601 SG CYS A 76 12.612 12.514 21.597 1.00 0.00 ATOM 602 O CYS A 76 15.087 8.929 19.623 1.00 0.00 ATOM 603 C CYS A 76 13.924 9.244 19.403 1.00 0.00 ATOM 604 N ALA A 77 13.308 8.965 18.263 1.00 0.00 ATOM 605 CA ALA A 77 14.003 8.288 17.182 1.00 0.00 ATOM 606 CB ALA A 77 13.191 7.098 16.694 1.00 0.00 ATOM 607 O ALA A 77 13.330 9.925 15.560 1.00 0.00 ATOM 608 C ALA A 77 14.225 9.182 15.962 1.00 0.00 ATOM 609 N LEU A 78 15.430 9.124 15.400 1.00 0.00 ATOM 610 CA LEU A 78 15.722 9.842 14.169 1.00 0.00 ATOM 611 CB LEU A 78 17.037 10.630 14.359 1.00 0.00 ATOM 612 CG LEU A 78 17.205 11.488 15.612 1.00 0.00 ATOM 613 CD1 LEU A 78 18.609 12.119 15.580 1.00 0.00 ATOM 614 CD2 LEU A 78 16.083 12.540 15.689 1.00 0.00 ATOM 615 O LEU A 78 16.346 7.850 12.996 1.00 0.00 ATOM 616 C LEU A 78 15.486 8.710 13.174 1.00 0.00 ATOM 617 N GLY A 79 14.306 8.687 12.561 1.00 0.00 ATOM 618 CA GLY A 79 13.964 7.625 11.626 1.00 0.00 ATOM 619 O GLY A 79 15.058 6.877 9.625 1.00 0.00 ATOM 620 C GLY A 79 14.588 7.832 10.256 1.00 0.00 ATOM 621 N ASN A 80 14.587 9.084 9.805 1.00 0.00 ATOM 622 CA ASN A 80 15.139 9.449 8.507 1.00 0.00 ATOM 623 CB ASN A 80 14.020 9.659 7.487 1.00 0.00 ATOM 624 CG ASN A 80 13.204 8.401 7.252 1.00 0.00 ATOM 625 ND2 ASN A 80 12.017 8.348 7.846 1.00 0.00 ATOM 626 OD1 ASN A 80 13.638 7.491 6.547 1.00 0.00 ATOM 627 O ASN A 80 15.524 11.685 9.260 1.00 0.00 ATOM 628 C ASN A 80 15.931 10.744 8.590 1.00 0.00 ATOM 629 N MET A 81 17.083 10.769 7.927 1.00 0.00 ATOM 630 CA MET A 81 17.911 11.963 7.878 1.00 0.00 ATOM 631 CB MET A 81 18.881 11.944 9.051 1.00 0.00 ATOM 632 CG MET A 81 19.717 13.185 9.201 1.00 0.00 ATOM 633 SD MET A 81 18.771 14.592 9.800 1.00 0.00 ATOM 634 CE MET A 81 18.602 14.249 11.551 1.00 0.00 ATOM 635 O MET A 81 19.449 10.941 6.320 1.00 0.00 ATOM 636 C MET A 81 18.681 11.878 6.568 1.00 0.00 ATOM 637 N MET A 82 18.422 12.852 5.703 1.00 0.00 ATOM 638 CA MET A 82 19.015 12.864 4.376 1.00 0.00 ATOM 639 CB MET A 82 18.153 11.979 3.412 1.00 0.00 ATOM 640 CG MET A 82 18.110 10.520 3.794 1.00 0.00 ATOM 641 SD MET A 82 17.272 9.483 2.574 1.00 0.00 ATOM 642 CE MET A 82 15.572 10.028 2.796 1.00 0.00 ATOM 643 O MET A 82 18.643 15.170 3.951 1.00 0.00 ATOM 644 C MET A 82 19.419 14.228 3.869 1.00 0.00 ATOM 645 N VAL A 83 20.612 14.308 3.295 1.00 0.00 ATOM 646 CA VAL A 83 21.091 15.540 2.699 1.00 0.00 ATOM 647 CB VAL A 83 22.366 16.042 3.401 1.00 0.00 ATOM 648 CG1 VAL A 83 22.875 17.313 2.738 1.00 0.00 ATOM 649 CG2 VAL A 83 22.084 16.343 4.864 1.00 0.00 ATOM 650 O VAL A 83 22.047 14.190 0.958 1.00 0.00 ATOM 651 C VAL A 83 21.390 15.196 1.243 1.00 0.00 ATOM 652 N ALA A 84 20.905 16.028 0.325 1.00 0.00 ATOM 653 CA ALA A 84 21.145 15.809 -1.097 1.00 0.00 ATOM 654 CB ALA A 84 20.552 16.944 -1.919 1.00 0.00 ATOM 655 O ALA A 84 23.418 16.287 -0.609 1.00 0.00 ATOM 656 C ALA A 84 22.635 15.626 -1.260 1.00 0.00 ATOM 657 N PRO A 85 23.069 14.806 -2.194 1.00 0.00 ATOM 658 CA PRO A 85 24.489 14.621 -2.437 1.00 0.00 ATOM 659 CB PRO A 85 24.515 13.770 -3.711 1.00 0.00 ATOM 660 CG PRO A 85 23.313 13.008 -3.623 1.00 0.00 ATOM 661 CD PRO A 85 22.253 13.906 -3.021 1.00 0.00 ATOM 662 O PRO A 85 26.239 16.166 -1.842 1.00 0.00 ATOM 663 C PRO A 85 25.264 15.922 -2.567 1.00 0.00 ATOM 664 N ALA A 86 24.832 16.798 -3.506 1.00 0.00 ATOM 665 CA ALA A 86 25.514 18.081 -3.695 1.00 0.00 ATOM 666 CB ALA A 86 24.830 18.875 -4.800 1.00 0.00 ATOM 667 O ALA A 86 26.478 19.701 -2.205 1.00 0.00 ATOM 668 C ALA A 86 25.538 18.936 -2.427 1.00 0.00 ATOM 669 N ALA A 87 24.312 18.706 -1.778 1.00 0.00 ATOM 670 CA ALA A 87 24.148 19.504 -0.568 1.00 0.00 ATOM 671 CB ALA A 87 22.722 19.752 -0.100 1.00 0.00 ATOM 672 O ALA A 87 24.882 19.552 1.690 1.00 0.00 ATOM 673 C ALA A 87 24.894 18.947 0.624 1.00 0.00 ATOM 674 N ARG A 88 25.503 17.804 0.429 1.00 0.00 ATOM 675 CA ARG A 88 26.249 17.202 1.539 1.00 0.00 ATOM 676 CB ARG A 88 27.126 16.239 0.956 1.00 0.00 ATOM 677 CG ARG A 88 26.418 14.936 1.207 1.00 0.00 ATOM 678 CD ARG A 88 26.283 14.613 2.680 1.00 0.00 ATOM 679 NE ARG A 88 25.599 13.332 2.821 1.00 0.00 ATOM 680 CZ ARG A 88 24.707 13.051 3.760 1.00 0.00 ATOM 681 NH1 ARG A 88 24.377 13.954 4.676 1.00 0.00 ATOM 682 NH2 ARG A 88 24.097 11.877 3.741 1.00 0.00 ATOM 683 O ARG A 88 28.008 18.721 0.915 1.00 0.00 ATOM 684 C ARG A 88 27.564 17.951 1.771 1.00 0.00 ATOM 685 N GLY A 89 28.171 17.726 2.933 1.00 0.00 ATOM 686 CA GLY A 89 29.447 18.347 3.314 1.00 0.00 ATOM 687 O GLY A 89 30.390 20.552 3.243 1.00 0.00 ATOM 688 C GLY A 89 29.390 19.866 3.465 1.00 0.00 ATOM 689 N LEU A 90 28.239 20.384 3.886 1.00 0.00 ATOM 690 CA LEU A 90 28.066 21.819 4.080 1.00 0.00 ATOM 691 CB LEU A 90 27.148 22.399 3.001 1.00 0.00 ATOM 692 CG LEU A 90 27.683 22.368 1.567 1.00 0.00 ATOM 693 CD1 LEU A 90 26.597 22.774 0.581 1.00 0.00 ATOM 694 CD2 LEU A 90 28.852 23.329 1.410 1.00 0.00 ATOM 695 O LEU A 90 27.071 23.302 5.678 1.00 0.00 ATOM 696 C LEU A 90 27.480 22.163 5.441 1.00 0.00 ATOM 697 N GLY A 91 27.431 21.177 6.330 1.00 0.00 ATOM 698 CA GLY A 91 26.901 21.414 7.658 1.00 0.00 ATOM 699 O GLY A 91 24.850 21.494 8.863 1.00 0.00 ATOM 700 C GLY A 91 25.399 21.239 7.791 1.00 0.00 ATOM 701 N VAL A 92 24.718 20.806 6.744 1.00 0.00 ATOM 702 CA VAL A 92 23.265 20.624 6.794 1.00 0.00 ATOM 703 CB VAL A 92 22.710 20.393 5.397 1.00 0.00 ATOM 704 CG1 VAL A 92 21.265 19.905 5.431 1.00 0.00 ATOM 705 CG2 VAL A 92 22.806 21.658 4.578 1.00 0.00 ATOM 706 O VAL A 92 21.943 19.620 8.533 1.00 0.00 ATOM 707 C VAL A 92 22.892 19.490 7.746 1.00 0.00 ATOM 708 N ALA A 93 23.585 18.374 7.668 1.00 0.00 ATOM 709 CA ALA A 93 23.293 17.247 8.569 1.00 0.00 ATOM 710 CB ALA A 93 24.156 16.064 8.222 1.00 0.00 ATOM 711 O ALA A 93 22.744 17.256 10.915 1.00 0.00 ATOM 712 C ALA A 93 23.510 17.668 10.018 1.00 0.00 ATOM 713 N ARG A 94 24.550 18.436 10.294 1.00 0.00 ATOM 714 CA ARG A 94 24.820 18.879 11.658 1.00 0.00 ATOM 715 CB ARG A 94 26.113 19.678 11.706 1.00 0.00 ATOM 716 CG ARG A 94 26.388 20.305 13.047 1.00 0.00 ATOM 717 CD ARG A 94 27.637 21.194 12.982 1.00 0.00 ATOM 718 NE ARG A 94 28.035 21.827 14.220 1.00 0.00 ATOM 719 CZ ARG A 94 27.583 23.030 14.578 1.00 0.00 ATOM 720 NH1 ARG A 94 26.733 23.707 13.799 1.00 0.00 ATOM 721 NH2 ARG A 94 27.965 23.578 15.720 1.00 0.00 ATOM 722 O ARG A 94 23.208 19.580 13.296 1.00 0.00 ATOM 723 C ARG A 94 23.653 19.738 12.160 1.00 0.00 ATOM 724 N TYR A 95 23.209 20.694 11.362 1.00 0.00 ATOM 725 CA TYR A 95 22.163 21.616 11.774 1.00 0.00 ATOM 726 CB TYR A 95 21.583 22.264 10.347 1.00 0.00 ATOM 727 CG TYR A 95 20.880 23.595 10.436 1.00 0.00 ATOM 728 CD1 TYR A 95 21.663 24.741 10.327 1.00 0.00 ATOM 729 CD2 TYR A 95 19.509 23.719 10.630 1.00 0.00 ATOM 730 CE1 TYR A 95 21.111 25.993 10.398 1.00 0.00 ATOM 731 CE2 TYR A 95 18.937 24.983 10.707 1.00 0.00 ATOM 732 CZ TYR A 95 19.744 26.103 10.584 1.00 0.00 ATOM 733 OH TYR A 95 19.178 27.357 10.676 1.00 0.00 ATOM 734 O TYR A 95 20.147 21.076 12.976 1.00 0.00 ATOM 735 C TYR A 95 20.829 20.896 11.963 1.00 0.00 ATOM 736 N LEU A 96 20.458 20.069 11.007 1.00 0.00 ATOM 737 CA LEU A 96 19.195 19.346 11.118 1.00 0.00 ATOM 738 CB LEU A 96 18.931 18.532 9.849 1.00 0.00 ATOM 739 CG LEU A 96 18.611 19.331 8.585 1.00 0.00 ATOM 740 CD1 LEU A 96 18.551 18.416 7.371 1.00 0.00 ATOM 741 CD2 LEU A 96 17.268 20.033 8.716 1.00 0.00 ATOM 742 O LEU A 96 18.201 18.351 13.062 1.00 0.00 ATOM 743 C LEU A 96 19.176 18.400 12.311 1.00 0.00 ATOM 744 N ILE A 97 20.260 17.649 12.476 1.00 0.00 ATOM 745 CA ILE A 97 20.347 16.712 13.583 1.00 0.00 ATOM 746 CB ILE A 97 21.635 15.868 13.533 1.00 0.00 ATOM 747 CG1 ILE A 97 21.617 14.946 12.312 1.00 0.00 ATOM 748 CG2 ILE A 97 21.760 15.011 14.783 1.00 0.00 ATOM 749 CD1 ILE A 97 22.945 14.275 12.036 1.00 0.00 ATOM 750 O ILE A 97 19.602 17.036 15.840 1.00 0.00 ATOM 751 C ILE A 97 20.316 17.452 14.934 1.00 0.00 ATOM 752 N GLY A 98 21.057 18.515 15.051 1.00 0.00 ATOM 753 CA GLY A 98 21.066 19.272 16.300 1.00 0.00 ATOM 754 O GLY A 98 19.263 19.924 17.751 1.00 0.00 ATOM 755 C GLY A 98 19.672 19.818 16.590 1.00 0.00 ATOM 756 N VAL A 99 18.938 20.185 15.546 1.00 0.00 ATOM 757 CA VAL A 99 17.592 20.692 15.732 1.00 0.00 ATOM 758 CB VAL A 99 17.004 21.150 14.383 1.00 0.00 ATOM 759 CG1 VAL A 99 15.544 21.539 14.543 1.00 0.00 ATOM 760 CG2 VAL A 99 17.766 22.353 13.853 1.00 0.00 ATOM 761 O VAL A 99 15.936 19.806 17.223 1.00 0.00 ATOM 762 C VAL A 99 16.743 19.571 16.322 1.00 0.00 ATOM 763 N MET A 100 16.957 18.344 15.847 1.00 0.00 ATOM 764 CA MET A 100 16.207 17.193 16.366 1.00 0.00 ATOM 765 CB MET A 100 16.570 15.924 15.593 1.00 0.00 ATOM 766 CG MET A 100 16.105 15.925 14.144 1.00 0.00 ATOM 767 SD MET A 100 14.312 16.032 13.990 1.00 0.00 ATOM 768 CE MET A 100 14.103 17.784 13.683 1.00 0.00 ATOM 769 O MET A 100 15.681 16.685 18.650 1.00 0.00 ATOM 770 C MET A 100 16.552 16.995 17.838 1.00 0.00 ATOM 771 N GLU A 101 17.798 17.205 18.171 1.00 0.00 ATOM 772 CA GLU A 101 18.230 17.057 19.562 1.00 0.00 ATOM 773 CB GLU A 101 19.752 17.186 19.668 1.00 0.00 ATOM 774 CG GLU A 101 20.518 16.020 19.065 1.00 0.00 ATOM 775 CD GLU A 101 22.016 16.239 19.077 1.00 0.00 ATOM 776 OE1 GLU A 101 22.453 17.332 19.492 1.00 0.00 ATOM 777 OE2 GLU A 101 22.755 15.316 18.673 1.00 0.00 ATOM 778 O GLU A 101 17.292 17.780 21.643 1.00 0.00 ATOM 779 C GLU A 101 17.656 18.102 20.512 1.00 0.00 ATOM 780 N ASN A 102 17.523 19.387 20.087 1.00 0.00 ATOM 781 CA ASN A 102 16.979 20.449 20.929 1.00 0.00 ATOM 782 CB ASN A 102 17.204 21.757 20.168 1.00 0.00 ATOM 783 CG ASN A 102 18.657 22.191 20.171 1.00 0.00 ATOM 784 ND2 ASN A 102 19.018 23.053 19.230 1.00 0.00 ATOM 785 OD1 ASN A 102 19.442 21.755 21.013 1.00 0.00 ATOM 786 O ASN A 102 14.982 20.504 22.261 1.00 0.00 ATOM 787 C ASN A 102 15.483 20.251 21.167 1.00 0.00 ATOM 788 N LEU A 103 14.770 19.810 20.139 1.00 0.00 ATOM 789 CA LEU A 103 13.337 19.567 20.260 1.00 0.00 ATOM 790 CB LEU A 103 12.728 19.289 18.882 1.00 0.00 ATOM 791 CG LEU A 103 12.728 20.474 17.911 1.00 0.00 ATOM 792 CD1 LEU A 103 12.229 20.025 16.545 1.00 0.00 ATOM 793 CD2 LEU A 103 11.848 21.588 18.466 1.00 0.00 ATOM 794 O LEU A 103 11.880 18.333 21.713 1.00 0.00 ATOM 795 C LEU A 103 13.004 18.425 21.214 1.00 0.00 ATOM 796 N ALA A 104 13.973 17.541 21.443 1.00 0.00 ATOM 797 CA ALA A 104 13.777 16.404 22.334 1.00 0.00 ATOM 798 CB ALA A 104 14.177 15.120 21.731 1.00 0.00 ATOM 799 O ALA A 104 14.108 16.329 24.707 1.00 0.00 ATOM 800 C ALA A 104 14.533 16.722 23.622 1.00 0.00 ATOM 801 N ARG A 105 15.689 17.542 23.523 1.00 0.00 ATOM 802 CA ARG A 105 16.486 17.901 24.695 1.00 0.00 ATOM 803 CB ARG A 105 17.528 18.861 24.517 1.00 0.00 ATOM 804 CG ARG A 105 18.299 19.150 25.796 1.00 0.00 ATOM 805 CD ARG A 105 19.613 19.858 25.496 1.00 0.00 ATOM 806 NE ARG A 105 19.428 21.027 24.662 1.00 0.00 ATOM 807 CZ ARG A 105 20.414 21.670 24.022 1.00 0.00 ATOM 808 NH1 ARG A 105 21.680 21.287 24.140 1.00 0.00 ATOM 809 NH2 ARG A 105 20.119 22.720 23.271 1.00 0.00 ATOM 810 O ARG A 105 15.149 18.229 26.662 1.00 0.00 ATOM 811 C ARG A 105 15.677 18.743 25.677 1.00 0.00 ATOM 812 N GLU A 106 15.571 20.039 25.393 1.00 0.00 ATOM 813 CA GLU A 106 14.827 20.941 26.254 1.00 0.00 ATOM 814 CB GLU A 106 15.450 22.339 26.219 1.00 0.00 ATOM 815 CG GLU A 106 16.565 22.557 27.229 1.00 0.00 ATOM 816 CD GLU A 106 17.578 23.600 26.768 1.00 0.00 ATOM 817 OE1 GLU A 106 18.744 23.226 26.496 1.00 0.00 ATOM 818 OE2 GLU A 106 17.209 24.792 26.675 1.00 0.00 ATOM 819 O GLU A 106 12.538 21.477 26.643 1.00 0.00 ATOM 820 C GLU A 106 13.368 21.044 25.854 1.00 0.00 ATOM 821 N GLN A 107 13.045 20.600 24.647 1.00 0.00 ATOM 822 CA GLN A 107 11.678 20.696 24.159 1.00 0.00 ATOM 823 CB GLN A 107 11.835 20.940 22.606 1.00 0.00 ATOM 824 CG GLN A 107 10.557 20.790 21.797 1.00 0.00 ATOM 825 CD GLN A 107 9.496 21.879 21.902 1.00 0.00 ATOM 826 OE1 GLN A 107 9.247 22.476 22.978 1.00 0.00 ATOM 827 NE2 GLN A 107 8.815 22.051 20.753 1.00 0.00 ATOM 828 O GLN A 107 9.581 19.817 24.927 1.00 0.00 ATOM 829 C GLN A 107 10.728 19.566 24.543 1.00 0.00 ATOM 830 N TYR A 108 11.187 18.328 24.436 1.00 0.00 ATOM 831 CA TYR A 108 10.320 17.203 24.749 1.00 0.00 ATOM 832 CB TYR A 108 10.137 16.310 23.512 1.00 0.00 ATOM 833 CG TYR A 108 9.130 16.889 22.511 1.00 0.00 ATOM 834 CD1 TYR A 108 7.747 16.617 22.621 1.00 0.00 ATOM 835 CD2 TYR A 108 9.565 17.782 21.496 1.00 0.00 ATOM 836 CE1 TYR A 108 6.845 17.224 21.770 1.00 0.00 ATOM 837 CE2 TYR A 108 8.659 18.395 20.625 1.00 0.00 ATOM 838 CZ TYR A 108 7.330 18.125 20.765 1.00 0.00 ATOM 839 OH TYR A 108 6.466 18.767 19.930 1.00 0.00 ATOM 840 O TYR A 108 10.037 15.462 26.370 1.00 0.00 ATOM 841 C TYR A 108 10.708 16.425 26.000 1.00 0.00 ATOM 842 N LYS A 109 11.791 16.806 26.643 1.00 0.00 ATOM 843 CA LYS A 109 12.259 16.131 27.845 1.00 0.00 ATOM 844 CB LYS A 109 11.858 16.805 29.109 1.00 0.00 ATOM 845 CG LYS A 109 12.813 17.960 29.403 1.00 0.00 ATOM 846 CD LYS A 109 12.221 18.889 30.460 1.00 0.00 ATOM 847 CE LYS A 109 11.038 19.672 29.883 1.00 0.00 ATOM 848 NZ LYS A 109 9.737 18.990 30.202 1.00 0.00 ATOM 849 O LYS A 109 12.150 13.824 28.525 1.00 0.00 ATOM 850 C LYS A 109 12.492 14.627 27.655 1.00 0.00 ATOM 851 N ALA A 110 13.079 14.247 26.524 1.00 0.00 ATOM 852 CA ALA A 110 13.358 12.834 26.270 1.00 0.00 ATOM 853 CB ALA A 110 13.345 12.553 24.773 1.00 0.00 ATOM 854 O ALA A 110 15.708 13.189 26.611 1.00 0.00 ATOM 855 C ALA A 110 14.733 12.465 26.821 1.00 0.00 ATOM 856 N ARG A 111 14.812 11.320 27.497 1.00 0.00 ATOM 857 CA ARG A 111 16.055 10.839 28.103 1.00 0.00 ATOM 858 CB ARG A 111 15.696 9.747 29.216 1.00 0.00 ATOM 859 CG ARG A 111 16.895 9.144 29.829 1.00 0.00 ATOM 860 CD ARG A 111 16.595 8.271 31.074 1.00 0.00 ATOM 861 NE ARG A 111 17.811 7.589 31.502 1.00 0.00 ATOM 862 CZ ARG A 111 17.991 7.085 32.721 1.00 0.00 ATOM 863 NH1 ARG A 111 17.027 7.173 33.630 1.00 0.00 ATOM 864 NH2 ARG A 111 19.139 6.499 33.026 1.00 0.00 ATOM 865 O ARG A 111 18.306 10.772 27.288 1.00 0.00 ATOM 866 C ARG A 111 17.125 10.522 27.064 1.00 0.00 ATOM 867 N LEU A 112 16.736 9.906 25.954 1.00 0.00 ATOM 868 CA LEU A 112 17.723 9.594 24.938 1.00 0.00 ATOM 869 CB LEU A 112 18.166 8.144 25.135 1.00 0.00 ATOM 870 CG LEU A 112 17.067 7.082 25.052 1.00 0.00 ATOM 871 CD1 LEU A 112 16.815 6.683 23.606 1.00 0.00 ATOM 872 CD2 LEU A 112 17.463 5.835 25.827 1.00 0.00 ATOM 873 O LEU A 112 16.028 9.785 23.263 1.00 0.00 ATOM 874 C LEU A 112 17.227 9.712 23.513 1.00 0.00 ATOM 875 N MET A 113 18.175 9.795 22.588 1.00 0.00 ATOM 876 CA MET A 113 17.878 9.929 21.173 1.00 0.00 ATOM 877 CB MET A 113 18.464 11.229 20.626 1.00 0.00 ATOM 878 CG MET A 113 17.957 12.468 21.331 1.00 0.00 ATOM 879 SD MET A 113 16.200 12.741 21.052 1.00 0.00 ATOM 880 CE MET A 113 16.262 14.004 19.790 1.00 0.00 ATOM 881 O MET A 113 19.674 8.383 20.817 1.00 0.00 ATOM 882 C MET A 113 18.562 8.767 20.462 1.00 0.00 ATOM 883 N LYS A 114 17.895 8.204 19.459 1.00 0.00 ATOM 884 CA LYS A 114 18.450 7.055 18.752 1.00 0.00 ATOM 885 CB LYS A 114 17.921 5.758 19.371 1.00 0.00 ATOM 886 CG LYS A 114 16.422 5.561 19.211 1.00 0.00 ATOM 887 CD LYS A 114 15.963 4.267 19.860 1.00 0.00 ATOM 888 CE LYS A 114 14.459 4.086 19.732 1.00 0.00 ATOM 889 NZ LYS A 114 14.007 2.780 20.289 1.00 0.00 ATOM 890 O LYS A 114 16.788 7.320 17.054 1.00 0.00 ATOM 891 C LYS A 114 17.943 6.989 17.322 1.00 0.00 ATOM 892 N ILE A 115 18.800 6.652 16.274 1.00 0.00 ATOM 893 CA ILE A 115 18.442 6.614 14.865 1.00 0.00 ATOM 894 CB ILE A 115 19.098 7.806 14.144 1.00 0.00 ATOM 895 CG1 ILE A 115 18.540 7.944 12.725 1.00 0.00 ATOM 896 CG2 ILE A 115 20.604 7.610 14.051 1.00 0.00 ATOM 897 CD1 ILE A 115 18.855 9.273 12.072 1.00 0.00 ATOM 898 O ILE A 115 19.763 4.609 14.889 1.00 0.00 ATOM 899 C ILE A 115 18.974 5.318 14.262 1.00 0.00 ATOM 900 N SER A 116 18.500 5.053 13.068 1.00 0.00 ATOM 901 CA SER A 116 18.923 3.852 12.355 1.00 0.00 ATOM 902 CB SER A 116 17.732 2.978 11.952 1.00 0.00 ATOM 903 OG SER A 116 17.096 2.429 13.092 1.00 0.00 ATOM 904 O SER A 116 19.031 5.088 10.313 1.00 0.00 ATOM 905 C SER A 116 19.598 4.301 11.064 1.00 0.00 ATOM 906 N CYS A 117 20.817 3.832 10.810 1.00 0.00 ATOM 907 CA CYS A 117 21.542 4.221 9.606 1.00 0.00 ATOM 908 CB CYS A 117 22.652 5.198 10.005 1.00 0.00 ATOM 909 SG CYS A 117 23.629 5.824 8.621 1.00 0.00 ATOM 910 O CYS A 117 22.748 2.147 9.477 1.00 0.00 ATOM 911 C CYS A 117 22.190 3.057 8.867 1.00 0.00 ATOM 912 N PHE A 118 21.988 3.031 7.553 1.00 0.00 ATOM 913 CA PHE A 118 22.545 1.987 6.693 1.00 0.00 ATOM 914 CB PHE A 118 22.260 2.339 5.236 1.00 0.00 ATOM 915 CG PHE A 118 22.747 1.341 4.225 1.00 0.00 ATOM 916 CD1 PHE A 118 22.378 -0.002 4.298 1.00 0.00 ATOM 917 CD2 PHE A 118 23.586 1.688 3.182 1.00 0.00 ATOM 918 CE1 PHE A 118 22.843 -0.956 3.403 1.00 0.00 ATOM 919 CE2 PHE A 118 24.013 0.733 2.302 1.00 0.00 ATOM 920 CZ PHE A 118 23.619 -0.590 2.344 1.00 0.00 ATOM 921 O PHE A 118 24.748 2.947 6.756 1.00 0.00 ATOM 922 C PHE A 118 24.060 1.931 6.882 1.00 0.00 ATOM 923 N ASN A 119 24.589 0.679 7.188 1.00 0.00 ATOM 924 CA ASN A 119 26.020 0.504 7.434 1.00 0.00 ATOM 925 CB ASN A 119 26.352 -0.977 7.634 1.00 0.00 ATOM 926 CG ASN A 119 27.776 -1.196 8.107 1.00 0.00 ATOM 927 ND2 ASN A 119 28.568 -1.886 7.297 1.00 0.00 ATOM 928 OD1 ASN A 119 28.155 -0.748 9.190 1.00 0.00 ATOM 929 O ASN A 119 28.043 1.463 6.586 1.00 0.00 ATOM 930 C ASN A 119 26.922 1.035 6.326 1.00 0.00 ATOM 931 N ALA A 120 26.440 0.976 5.051 1.00 0.00 ATOM 932 CA ALA A 120 27.212 1.435 3.906 1.00 0.00 ATOM 933 CB ALA A 120 26.655 0.846 2.621 1.00 0.00 ATOM 934 O ALA A 120 27.648 3.336 2.534 1.00 0.00 ATOM 935 C ALA A 120 27.204 2.911 3.598 1.00 0.00 ATOM 936 N ASN A 121 26.570 3.716 4.563 1.00 0.00 ATOM 937 CA ASN A 121 26.474 5.128 4.484 1.00 0.00 ATOM 938 CB ASN A 121 25.126 5.697 4.930 1.00 0.00 ATOM 939 CG ASN A 121 25.037 7.198 4.741 1.00 0.00 ATOM 940 ND2 ASN A 121 24.122 7.831 5.466 1.00 0.00 ATOM 941 OD1 ASN A 121 25.782 7.779 3.953 1.00 0.00 ATOM 942 O ASN A 121 27.295 6.185 6.494 1.00 0.00 ATOM 943 C ASN A 121 27.570 5.655 5.417 1.00 0.00 ATOM 944 N ALA A 122 28.820 5.498 4.984 1.00 0.00 ATOM 945 CA ALA A 122 29.973 5.930 5.766 1.00 0.00 ATOM 946 CB ALA A 122 31.316 5.705 4.959 1.00 0.00 ATOM 947 O ALA A 122 30.385 7.814 7.161 1.00 0.00 ATOM 948 C ALA A 122 29.982 7.418 6.071 1.00 0.00 ATOM 949 N ALA A 123 29.551 8.237 5.117 1.00 0.00 ATOM 950 CA ALA A 123 29.519 9.682 5.334 1.00 0.00 ATOM 951 CB ALA A 123 29.010 10.395 4.090 1.00 0.00 ATOM 952 O ALA A 123 28.971 10.846 7.362 1.00 0.00 ATOM 953 C ALA A 123 28.600 10.052 6.499 1.00 0.00 ATOM 954 N GLY A 124 27.402 9.477 6.523 1.00 0.00 ATOM 955 CA GLY A 124 26.450 9.763 7.581 1.00 0.00 ATOM 956 O GLY A 124 26.714 9.875 9.963 1.00 0.00 ATOM 957 C GLY A 124 26.923 9.232 8.933 1.00 0.00 ATOM 958 N LEU A 125 27.510 8.039 8.936 1.00 0.00 ATOM 959 CA LEU A 125 28.008 7.445 10.173 1.00 0.00 ATOM 960 CB LEU A 125 28.614 6.067 9.902 1.00 0.00 ATOM 961 CG LEU A 125 27.633 4.956 9.521 1.00 0.00 ATOM 962 CD1 LEU A 125 28.379 3.702 9.094 1.00 0.00 ATOM 963 CD2 LEU A 125 26.739 4.600 10.700 1.00 0.00 ATOM 964 O LEU A 125 29.055 8.610 11.996 1.00 0.00 ATOM 965 C LEU A 125 29.077 8.336 10.793 1.00 0.00 ATOM 966 N LEU A 126 30.006 8.800 9.964 1.00 0.00 ATOM 967 CA LEU A 126 31.086 9.669 10.422 1.00 0.00 ATOM 968 CB LEU A 126 32.027 10.010 9.266 1.00 0.00 ATOM 969 CG LEU A 126 32.888 8.861 8.731 1.00 0.00 ATOM 970 CD1 LEU A 126 33.634 9.289 7.475 1.00 0.00 ATOM 971 CD2 LEU A 126 33.912 8.430 9.770 1.00 0.00 ATOM 972 O LEU A 126 31.024 11.487 11.985 1.00 0.00 ATOM 973 C LEU A 126 30.526 10.975 10.987 1.00 0.00 ATOM 974 N LEU A 127 29.504 11.512 10.327 1.00 0.00 ATOM 975 CA LEU A 127 28.854 12.745 10.773 1.00 0.00 ATOM 976 CB LEU A 127 27.808 13.233 9.892 1.00 0.00 ATOM 977 CG LEU A 127 28.208 13.872 8.588 1.00 0.00 ATOM 978 CD1 LEU A 127 26.964 14.221 7.790 1.00 0.00 ATOM 979 CD2 LEU A 127 29.007 15.184 8.774 1.00 0.00 ATOM 980 O LEU A 127 28.468 13.293 13.084 1.00 0.00 ATOM 981 C LEU A 127 28.224 12.524 12.152 1.00 0.00 ATOM 982 N TYR A 128 27.435 11.462 12.285 1.00 0.00 ATOM 983 CA TYR A 128 26.783 11.166 13.562 1.00 0.00 ATOM 984 CB TYR A 128 25.963 9.878 13.460 1.00 0.00 ATOM 985 CG TYR A 128 24.746 9.996 12.572 1.00 0.00 ATOM 986 CD1 TYR A 128 24.264 11.241 12.189 1.00 0.00 ATOM 987 CD2 TYR A 128 24.082 8.863 12.121 1.00 0.00 ATOM 988 CE1 TYR A 128 23.151 11.356 11.375 1.00 0.00 ATOM 989 CE2 TYR A 128 22.969 8.960 11.308 1.00 0.00 ATOM 990 CZ TYR A 128 22.506 10.222 10.937 1.00 0.00 ATOM 991 OH TYR A 128 21.399 10.335 10.129 1.00 0.00 ATOM 992 O TYR A 128 27.529 11.389 15.804 1.00 0.00 ATOM 993 C TYR A 128 27.768 10.935 14.681 1.00 0.00 ATOM 994 N THR A 129 28.865 10.265 14.472 1.00 0.00 ATOM 995 CA THR A 129 29.892 10.050 15.475 1.00 0.00 ATOM 996 CB THR A 129 31.021 9.136 14.968 1.00 0.00 ATOM 997 CG2 THR A 129 32.071 8.934 16.053 1.00 0.00 ATOM 998 OG1 THR A 129 30.481 7.860 14.603 1.00 0.00 ATOM 999 O THR A 129 30.784 11.575 17.110 1.00 0.00 ATOM 1000 C THR A 129 30.513 11.373 15.927 1.00 0.00 ATOM 1001 N GLN A 130 30.735 12.267 14.975 1.00 0.00 ATOM 1002 CA GLN A 130 31.284 13.578 15.297 1.00 0.00 ATOM 1003 CB GLN A 130 31.543 14.381 14.021 1.00 0.00 ATOM 1004 CG GLN A 130 32.677 13.840 13.167 1.00 0.00 ATOM 1005 CD GLN A 130 32.832 14.591 11.858 1.00 0.00 ATOM 1006 OE1 GLN A 130 32.025 15.464 11.534 1.00 0.00 ATOM 1007 NE2 GLN A 130 33.870 14.256 11.104 1.00 0.00 ATOM 1008 O GLN A 130 30.705 15.227 16.947 1.00 0.00 ATOM 1009 C GLN A 130 30.301 14.384 16.141 1.00 0.00 ATOM 1010 N LEU A 131 29.015 14.114 15.954 1.00 0.00 ATOM 1011 CA LEU A 131 27.959 14.794 16.693 1.00 0.00 ATOM 1012 CB LEU A 131 26.678 14.929 15.882 1.00 0.00 ATOM 1013 CG LEU A 131 26.792 15.720 14.577 1.00 0.00 ATOM 1014 CD1 LEU A 131 25.433 15.708 13.873 1.00 0.00 ATOM 1015 CD2 LEU A 131 27.259 17.135 14.840 1.00 0.00 ATOM 1016 O LEU A 131 26.812 14.663 18.806 1.00 0.00 ATOM 1017 C LEU A 131 27.668 14.174 18.064 1.00 0.00 ATOM 1018 N GLY A 132 28.379 13.092 18.389 1.00 0.00 ATOM 1019 CA GLY A 132 28.317 12.489 19.712 1.00 0.00 ATOM 1020 O GLY A 132 27.262 10.709 20.893 1.00 0.00 ATOM 1021 C GLY A 132 27.497 11.220 19.793 1.00 0.00 ATOM 1022 N TYR A 133 27.030 10.713 18.660 1.00 0.00 ATOM 1023 CA TYR A 133 26.248 9.478 18.668 1.00 0.00 ATOM 1024 CB TYR A 133 25.354 9.408 17.429 1.00 0.00 ATOM 1025 CG TYR A 133 24.179 10.359 17.463 1.00 0.00 ATOM 1026 CD1 TYR A 133 24.234 11.579 16.804 1.00 0.00 ATOM 1027 CD2 TYR A 133 23.020 10.032 18.154 1.00 0.00 ATOM 1028 CE1 TYR A 133 23.166 12.455 16.832 1.00 0.00 ATOM 1029 CE2 TYR A 133 21.943 10.894 18.192 1.00 0.00 ATOM 1030 CZ TYR A 133 22.024 12.113 17.523 1.00 0.00 ATOM 1031 OH TYR A 133 20.956 12.983 17.552 1.00 0.00 ATOM 1032 O TYR A 133 28.269 8.339 18.081 1.00 0.00 ATOM 1033 C TYR A 133 27.186 8.274 18.655 1.00 0.00 ATOM 1034 N GLN A 134 26.745 7.174 19.261 1.00 0.00 ATOM 1035 CA GLN A 134 27.538 5.948 19.325 1.00 0.00 ATOM 1036 CB GLN A 134 28.064 5.726 20.744 1.00 0.00 ATOM 1037 CG GLN A 134 29.004 6.815 21.235 1.00 0.00 ATOM 1038 CD GLN A 134 29.543 6.536 22.624 1.00 0.00 ATOM 1039 OE1 GLN A 134 29.123 5.587 23.284 1.00 0.00 ATOM 1040 NE2 GLN A 134 30.482 7.365 23.071 1.00 0.00 ATOM 1041 O GLN A 134 25.495 4.681 19.195 1.00 0.00 ATOM 1042 C GLN A 134 26.695 4.738 18.929 1.00 0.00 ATOM 1043 N PRO A 135 27.329 3.750 18.313 1.00 0.00 ATOM 1044 CA PRO A 135 26.610 2.557 17.897 1.00 0.00 ATOM 1045 CB PRO A 135 27.569 1.870 16.922 1.00 0.00 ATOM 1046 CG PRO A 135 28.925 2.318 17.353 1.00 0.00 ATOM 1047 CD PRO A 135 28.759 3.724 17.857 1.00 0.00 ATOM 1048 O PRO A 135 27.215 1.248 19.820 1.00 0.00 ATOM 1049 C PRO A 135 26.305 1.681 19.106 1.00 0.00 ATOM 1050 N ARG A 136 25.021 1.419 19.328 1.00 0.00 ATOM 1051 CA ARG A 136 24.586 0.592 20.450 1.00 0.00 ATOM 1052 CB ARG A 136 23.562 1.374 21.300 1.00 0.00 ATOM 1053 CG ARG A 136 23.081 0.598 22.520 1.00 0.00 ATOM 1054 CD ARG A 136 22.174 1.434 23.404 1.00 0.00 ATOM 1055 NE ARG A 136 21.745 0.697 24.590 1.00 0.00 ATOM 1056 CZ ARG A 136 20.980 1.210 25.549 1.00 0.00 ATOM 1057 NH1 ARG A 136 20.558 2.466 25.460 1.00 0.00 ATOM 1058 NH2 ARG A 136 20.641 0.472 26.600 1.00 0.00 ATOM 1059 O ARG A 136 24.210 -1.749 20.657 1.00 0.00 ATOM 1060 C ARG A 136 24.172 -0.766 19.901 1.00 0.00 ATOM 1061 N ALA A 137 23.718 -0.858 18.584 1.00 0.00 ATOM 1062 CA ALA A 137 23.268 -2.123 18.021 1.00 0.00 ATOM 1063 CB ALA A 137 21.833 -2.389 18.449 1.00 0.00 ATOM 1064 O ALA A 137 23.637 -1.149 15.858 1.00 0.00 ATOM 1065 C ALA A 137 23.293 -2.139 16.504 1.00 0.00 ATOM 1066 N ILE A 138 22.878 -3.259 15.929 1.00 0.00 ATOM 1067 CA ILE A 138 22.852 -3.411 14.484 1.00 0.00 ATOM 1068 CB ILE A 138 24.264 -3.639 13.913 1.00 0.00 ATOM 1069 CG1 ILE A 138 24.231 -3.629 12.383 1.00 0.00 ATOM 1070 CG2 ILE A 138 24.815 -4.979 14.376 1.00 0.00 ATOM 1071 CD1 ILE A 138 25.597 -3.521 11.744 1.00 0.00 ATOM 1072 O ILE A 138 22.064 -5.638 14.844 1.00 0.00 ATOM 1073 C ILE A 138 21.968 -4.607 14.179 1.00 0.00 ATOM 1074 N ALA A 139 21.125 -4.480 13.167 1.00 0.00 ATOM 1075 CA ALA A 139 20.230 -5.561 12.785 1.00 0.00 ATOM 1076 CB ALA A 139 18.756 -5.158 13.017 1.00 0.00 ATOM 1077 O ALA A 139 20.885 -5.103 10.518 1.00 0.00 ATOM 1078 C ALA A 139 20.460 -5.906 11.319 1.00 0.00 ATOM 1079 N GLU A 140 20.161 -7.119 10.991 1.00 0.00 ATOM 1080 CA GLU A 140 20.405 -7.574 9.661 1.00 0.00 ATOM 1081 CB GLU A 140 19.841 -9.250 9.842 1.00 0.00 ATOM 1082 CG GLU A 140 19.855 -9.942 11.205 1.00 0.00 ATOM 1083 CD GLU A 140 21.230 -10.451 11.602 1.00 0.00 ATOM 1084 OE1 GLU A 140 22.020 -10.812 10.708 1.00 0.00 ATOM 1085 OE2 GLU A 140 21.519 -10.505 12.817 1.00 0.00 ATOM 1086 O GLU A 140 20.008 -7.125 7.333 1.00 0.00 ATOM 1087 C GLU A 140 19.595 -6.997 8.469 1.00 0.00 ATOM 1088 N ARG A 141 18.299 -6.506 8.854 1.00 0.00 ATOM 1089 CA ARG A 141 17.496 -6.143 7.703 1.00 0.00 ATOM 1090 CB ARG A 141 16.334 -7.102 7.562 1.00 0.00 ATOM 1091 CG ARG A 141 15.281 -6.634 6.582 1.00 0.00 ATOM 1092 CD ARG A 141 14.324 -7.743 6.213 1.00 0.00 ATOM 1093 NE ARG A 141 13.291 -7.246 5.311 1.00 0.00 ATOM 1094 CZ ARG A 141 12.527 -8.013 4.537 1.00 0.00 ATOM 1095 NH1 ARG A 141 12.664 -9.331 4.542 1.00 0.00 ATOM 1096 NH2 ARG A 141 11.623 -7.451 3.748 1.00 0.00 ATOM 1097 O ARG A 141 16.741 -4.482 9.204 1.00 0.00 ATOM 1098 C ARG A 141 16.851 -4.841 8.036 1.00 0.00 ATOM 1099 N HIS A 142 17.511 -4.706 6.728 1.00 0.00 ATOM 1100 CA HIS A 142 16.616 -3.984 5.830 1.00 0.00 ATOM 1101 CB HIS A 142 17.257 -2.653 5.523 1.00 0.00 ATOM 1102 CG HIS A 142 16.538 -1.922 4.395 1.00 0.00 ATOM 1103 CD2 HIS A 142 16.986 -1.393 3.244 1.00 0.00 ATOM 1104 ND1 HIS A 142 15.165 -1.695 4.437 1.00 0.00 ATOM 1105 CE1 HIS A 142 14.825 -1.033 3.334 1.00 0.00 ATOM 1106 NE2 HIS A 142 15.905 -0.824 2.602 1.00 0.00 ATOM 1107 O HIS A 142 17.671 -5.415 4.259 1.00 0.00 ATOM 1108 C HIS A 142 16.734 -4.630 4.469 1.00 0.00 ATOM 1109 N ASP A 143 15.729 -4.331 3.642 1.00 0.00 ATOM 1110 CA ASP A 143 15.760 -4.857 2.278 1.00 0.00 ATOM 1111 CB ASP A 143 14.470 -5.679 2.031 1.00 0.00 ATOM 1112 CG ASP A 143 14.465 -6.423 0.716 1.00 0.00 ATOM 1113 OD1 ASP A 143 15.539 -6.861 0.268 1.00 0.00 ATOM 1114 OD2 ASP A 143 13.364 -6.582 0.143 1.00 0.00 ATOM 1115 O ASP A 143 15.169 -3.620 0.306 1.00 0.00 ATOM 1116 C ASP A 143 16.074 -4.081 1.003 1.00 0.00 ATOM 1117 N PRO A 144 17.365 -3.922 0.725 1.00 0.00 ATOM 1118 CA PRO A 144 17.827 -3.251 -0.486 1.00 0.00 ATOM 1119 CB PRO A 144 19.293 -3.048 -0.096 1.00 0.00 ATOM 1120 CG PRO A 144 19.657 -4.289 0.646 1.00 0.00 ATOM 1121 CD PRO A 144 18.403 -4.745 1.338 1.00 0.00 ATOM 1122 O PRO A 144 18.312 -5.141 -1.899 1.00 0.00 ATOM 1123 C PRO A 144 17.688 -4.075 -1.765 1.00 0.00 ATOM 1124 N ASP A 145 16.784 -3.580 -2.621 1.00 0.00 ATOM 1125 CA ASP A 145 16.419 -4.308 -3.840 1.00 0.00 ATOM 1126 CB ASP A 145 17.724 -4.664 -4.553 1.00 0.00 ATOM 1127 CG ASP A 145 18.398 -3.456 -5.176 1.00 0.00 ATOM 1128 OD1 ASP A 145 17.746 -2.395 -5.271 1.00 0.00 ATOM 1129 OD2 ASP A 145 19.579 -3.568 -5.567 1.00 0.00 ATOM 1130 O ASP A 145 14.464 -5.543 -3.255 1.00 0.00 ATOM 1131 C ASP A 145 15.661 -5.583 -3.529 1.00 0.00 ATOM 1132 N GLY A 146 16.475 -6.778 -3.572 1.00 0.00 ATOM 1133 CA GLY A 146 15.830 -8.057 -3.301 1.00 0.00 ATOM 1134 O GLY A 146 16.428 -10.042 -2.093 1.00 0.00 ATOM 1135 C GLY A 146 16.634 -8.843 -2.268 1.00 0.00 ATOM 1136 N ARG A 147 17.438 -7.967 -1.396 1.00 0.00 ATOM 1137 CA ARG A 147 18.589 -8.493 -0.661 1.00 0.00 ATOM 1138 CB ARG A 147 19.878 -8.083 -1.359 1.00 0.00 ATOM 1139 CG ARG A 147 21.149 -8.375 -0.574 1.00 0.00 ATOM 1140 CD ARG A 147 22.388 -8.171 -1.436 1.00 0.00 ATOM 1141 NE ARG A 147 22.421 -6.860 -2.084 1.00 0.00 ATOM 1142 CZ ARG A 147 22.950 -5.764 -1.544 1.00 0.00 ATOM 1143 NH1 ARG A 147 23.498 -5.807 -0.335 1.00 0.00 ATOM 1144 NH2 ARG A 147 22.939 -4.621 -2.216 1.00 0.00 ATOM 1145 O ARG A 147 18.239 -6.761 0.960 1.00 0.00 ATOM 1146 C ARG A 147 18.687 -7.881 0.735 1.00 0.00 ATOM 1147 N ARG A 148 19.242 -8.625 1.686 1.00 0.00 ATOM 1148 CA ARG A 148 19.370 -8.099 3.037 1.00 0.00 ATOM 1149 CB ARG A 148 19.148 -9.264 4.057 1.00 0.00 ATOM 1150 CG ARG A 148 17.800 -9.945 3.963 1.00 0.00 ATOM 1151 CD ARG A 148 17.786 -11.233 4.752 1.00 0.00 ATOM 1152 NE ARG A 148 16.560 -11.982 4.497 1.00 0.00 ATOM 1153 CZ ARG A 148 15.479 -11.925 5.265 1.00 0.00 ATOM 1154 NH1 ARG A 148 15.471 -11.158 6.347 1.00 0.00 ATOM 1155 NH2 ARG A 148 14.403 -12.632 4.947 1.00 0.00 ATOM 1156 O ARG A 148 21.676 -7.504 2.638 1.00 0.00 ATOM 1157 C ARG A 148 20.611 -7.231 3.208 1.00 0.00 ATOM 1158 N VAL A 149 20.454 -6.190 4.016 1.00 0.00 ATOM 1159 CA VAL A 149 21.535 -5.270 4.334 1.00 0.00 ATOM 1160 CB VAL A 149 21.379 -3.891 3.683 1.00 0.00 ATOM 1161 CG1 VAL A 149 21.517 -3.989 2.164 1.00 0.00 ATOM 1162 CG2 VAL A 149 20.061 -3.216 4.058 1.00 0.00 ATOM 1163 O VAL A 149 20.496 -5.297 6.478 1.00 0.00 ATOM 1164 C VAL A 149 21.512 -5.044 5.836 1.00 0.00 ATOM 1165 N ALA A 150 22.547 -4.405 6.367 1.00 0.00 ATOM 1166 CA ALA A 150 22.605 -4.158 7.804 1.00 0.00 ATOM 1167 CB ALA A 150 23.999 -4.492 8.315 1.00 0.00 ATOM 1168 O ALA A 150 22.799 -1.778 7.575 1.00 0.00 ATOM 1169 C ALA A 150 22.274 -2.717 8.175 1.00 0.00 ATOM 1170 N LEU A 151 21.433 -2.569 9.193 1.00 0.00 ATOM 1171 CA LEU A 151 21.047 -1.252 9.687 1.00 0.00 ATOM 1172 CB LEU A 151 19.526 -1.174 9.826 1.00 0.00 ATOM 1173 CG LEU A 151 18.963 0.126 10.403 1.00 0.00 ATOM 1174 CD1 LEU A 151 19.248 1.295 9.469 1.00 0.00 ATOM 1175 CD2 LEU A 151 17.456 0.024 10.590 1.00 0.00 ATOM 1176 O LEU A 151 21.484 -1.899 11.943 1.00 0.00 ATOM 1177 C LEU A 151 21.703 -1.081 11.057 1.00 0.00 ATOM 1178 N ILE A 152 22.501 -0.034 11.239 1.00 0.00 ATOM 1179 CA ILE A 152 23.138 0.188 12.529 1.00 0.00 ATOM 1180 CB ILE A 152 24.504 0.889 12.341 1.00 0.00 ATOM 1181 CG1 ILE A 152 25.441 -0.067 11.562 1.00 0.00 ATOM 1182 CG2 ILE A 152 25.089 1.222 13.701 1.00 0.00 ATOM 1183 CD1 ILE A 152 26.657 0.561 11.059 1.00 0.00 ATOM 1184 O ILE A 152 21.773 2.138 12.888 1.00 0.00 ATOM 1185 C ILE A 152 22.271 1.115 13.378 1.00 0.00 ATOM 1186 N GLN A 153 22.070 0.751 14.637 1.00 0.00 ATOM 1187 CA GLN A 153 21.282 1.578 15.542 1.00 0.00 ATOM 1188 CB GLN A 153 20.448 0.702 16.479 1.00 0.00 ATOM 1189 CG GLN A 153 19.540 1.482 17.415 1.00 0.00 ATOM 1190 CD GLN A 153 18.690 0.582 18.288 1.00 0.00 ATOM 1191 OE1 GLN A 153 18.690 -0.639 18.124 1.00 0.00 ATOM 1192 NE2 GLN A 153 17.960 1.183 19.223 1.00 0.00 ATOM 1193 O GLN A 153 23.120 1.851 17.055 1.00 0.00 ATOM 1194 C GLN A 153 22.292 2.401 16.331 1.00 0.00 ATOM 1195 N MET A 154 22.206 3.719 16.200 1.00 0.00 ATOM 1196 CA MET A 154 23.125 4.612 16.883 1.00 0.00 ATOM 1197 CB MET A 154 23.913 5.441 15.869 1.00 0.00 ATOM 1198 CG MET A 154 24.849 4.628 14.992 1.00 0.00 ATOM 1199 SD MET A 154 25.836 5.653 13.887 1.00 0.00 ATOM 1200 CE MET A 154 26.865 6.527 15.064 1.00 0.00 ATOM 1201 O MET A 154 21.365 6.176 17.305 1.00 0.00 ATOM 1202 C MET A 154 22.312 5.531 17.772 1.00 0.00 ATOM 1203 N ASP A 155 22.928 5.793 18.992 1.00 0.00 ATOM 1204 CA ASP A 155 22.158 6.696 19.871 1.00 0.00 ATOM 1205 CB ASP A 155 21.250 5.845 20.762 1.00 0.00 ATOM 1206 CG ASP A 155 22.031 4.925 21.678 1.00 0.00 ATOM 1207 OD1 ASP A 155 23.257 5.124 21.815 1.00 0.00 ATOM 1208 OD2 ASP A 155 21.418 4.003 22.257 1.00 0.00 ATOM 1209 O ASP A 155 24.267 7.417 20.738 1.00 0.00 ATOM 1210 C ASP A 155 23.043 7.509 20.789 1.00 0.00 ATOM 1211 N LYS A 156 22.399 8.367 21.568 1.00 0.00 ATOM 1212 CA LYS A 156 23.087 9.233 22.501 1.00 0.00 ATOM 1213 CB LYS A 156 23.550 10.518 21.811 1.00 0.00 ATOM 1214 CG LYS A 156 24.407 11.419 22.687 1.00 0.00 ATOM 1215 CD LYS A 156 24.908 12.628 21.911 1.00 0.00 ATOM 1216 CE LYS A 156 25.839 13.478 22.759 1.00 0.00 ATOM 1217 NZ LYS A 156 26.322 14.677 22.019 1.00 0.00 ATOM 1218 O LYS A 156 20.970 9.955 23.375 1.00 0.00 ATOM 1219 C LYS A 156 22.121 9.580 23.620 1.00 0.00 ATOM 1220 N PRO A 157 22.610 9.482 24.849 1.00 0.00 ATOM 1221 CA PRO A 157 21.801 9.796 26.012 1.00 0.00 ATOM 1222 CB PRO A 157 22.422 8.953 27.127 1.00 0.00 ATOM 1223 CG PRO A 157 23.874 8.895 26.791 1.00 0.00 ATOM 1224 CD PRO A 157 23.952 8.854 25.289 1.00 0.00 ATOM 1225 O PRO A 157 22.960 11.900 26.216 1.00 0.00 ATOM 1226 C PRO A 157 21.885 11.295 26.265 1.00 0.00 ATOM 1227 N LEU A 158 20.738 11.964 26.577 1.00 0.00 ATOM 1228 CA LEU A 158 20.643 13.392 26.844 1.00 0.00 ATOM 1229 CB LEU A 158 19.521 13.975 25.982 1.00 0.00 ATOM 1230 CG LEU A 158 19.724 13.903 24.466 1.00 0.00 ATOM 1231 CD1 LEU A 158 18.490 14.406 23.735 1.00 0.00 ATOM 1232 CD2 LEU A 158 20.911 14.753 24.041 1.00 0.00 ATOM 1233 O LEU A 158 20.838 12.999 29.209 1.00 0.00 ATOM 1234 C LEU A 158 20.288 13.638 28.312 1.00 0.00 ATOM 1235 N GLU A 159 19.359 14.565 28.539 1.00 0.00 ATOM 1236 CA GLU A 159 18.929 14.910 29.900 1.00 0.00 ATOM 1237 CB GLU A 159 18.862 16.424 30.060 1.00 0.00 ATOM 1238 CG GLU A 159 20.074 17.159 29.525 1.00 0.00 ATOM 1239 CD GLU A 159 21.311 16.991 30.372 1.00 0.00 ATOM 1240 OE1 GLU A 159 21.183 16.655 31.559 1.00 0.00 ATOM 1241 OE2 GLU A 159 22.413 17.189 29.838 1.00 0.00 ATOM 1242 O GLU A 159 16.764 14.047 29.322 1.00 0.00 ATOM 1243 C GLU A 159 17.587 14.239 30.225 1.00 0.00 ATOM 1244 N PRO A 160 17.358 13.878 31.492 1.00 0.00 ATOM 1245 CA PRO A 160 16.051 13.352 31.899 1.00 0.00 ATOM 1246 CB PRO A 160 16.190 13.193 33.418 1.00 0.00 ATOM 1247 CG PRO A 160 17.635 13.021 33.646 1.00 0.00 ATOM 1248 CD PRO A 160 18.300 13.910 32.627 1.00 0.00 ATOM 1249 O PRO A 160 15.111 15.538 31.774 1.00 0.00 ATOM 1250 C PRO A 160 14.933 14.331 31.566 1.00 0.00 ENDMDL EXPDTA 2i6cA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2i6cA ATOM 1 N MET 1 27.298 29.500 5.487 1.00 0.00 ATOM 2 CA MET 1 25.990 28.770 5.492 1.00 0.00 ATOM 3 CB MET 1 26.189 27.266 5.729 1.00 0.00 ATOM 4 CG MET 1 26.762 26.516 4.560 1.00 0.00 ATOM 5 SD MET 1 25.626 26.465 2.974 1.00 0.00 ATOM 6 CE MET 1 24.120 25.524 3.718 1.00 0.00 ATOM 7 O MET 1 24.937 28.695 7.628 1.00 0.00 ATOM 8 C MET 1 25.036 29.287 6.554 1.00 0.00 ATOM 9 N GLN 2 24.368 30.394 6.253 1.00 0.00 ATOM 10 CA GLN 2 23.282 30.876 7.087 1.00 0.00 ATOM 11 CB GLN 2 22.843 32.278 6.650 1.00 0.00 ATOM 12 CG GLN 2 23.937 33.337 6.772 1.00 0.00 ATOM 13 CD GLN 2 24.523 33.418 8.168 1.00 0.00 ATOM 14 OE1 GLN 2 23.793 33.402 9.162 1.00 0.00 ATOM 15 NE2 GLN 2 25.849 33.500 8.252 1.00 0.00 ATOM 16 O GLN 2 21.607 29.739 5.818 1.00 0.00 ATOM 17 C GLN 2 22.144 29.881 6.926 1.00 0.00 ATOM 18 N LEU 3 21.859 29.116 7.980 1.00 0.00 ATOM 19 CA LEU 3 20.717 28.206 7.960 1.00 0.00 ATOM 20 CB LEU 3 21.167 26.784 8.290 1.00 0.00 ATOM 21 CG LEU 3 21.966 26.082 7.182 1.00 0.00 ATOM 22 CD1 LEU 3 22.839 24.941 7.749 1.00 0.00 ATOM 23 CD2 LEU 3 21.069 25.556 6.076 1.00 0.00 ATOM 24 O LEU 3 19.938 29.103 10.052 1.00 0.00 ATOM 25 C LEU 3 19.643 28.621 8.946 1.00 0.00 ATOM 26 N SER 4 18.394 28.424 8.533 1.00 0.00 ATOM 27 CA SER 4 17.237 28.594 9.401 1.00 0.00 ATOM 28 CB SER 4 16.435 29.854 9.032 1.00 0.00 ATOM 29 OG SER 4 15.913 29.770 7.726 1.00 0.00 ATOM 30 O SER 4 16.614 26.513 8.439 1.00 0.00 ATOM 31 C SER 4 16.376 27.360 9.290 1.00 0.00 ATOM 32 N HIS 5 15.395 27.229 10.164 1.00 0.00 ATOM 33 CA HIS 5 14.498 26.083 10.100 1.00 0.00 ATOM 34 CB HIS 5 14.933 24.938 11.010 1.00 0.00 ATOM 35 CG HIS 5 14.910 25.275 12.460 1.00 0.00 ATOM 36 CD2 HIS 5 15.831 25.882 13.238 1.00 0.00 ATOM 37 ND1 HIS 5 13.827 25.014 13.271 1.00 0.00 ATOM 38 CE1 HIS 5 14.093 25.441 14.494 1.00 0.00 ATOM 39 NE2 HIS 5 15.301 25.966 14.500 1.00 0.00 ATOM 40 O HIS 5 12.828 27.515 11.067 1.00 0.00 ATOM 41 C HIS 5 13.071 26.502 10.426 1.00 0.00 ATOM 42 N ARG 6 12.140 25.678 9.978 1.00 0.00 ATOM 43 CA ARG 6 10.721 25.830 10.276 1.00 0.00 ATOM 44 CB ARG 6 10.103 26.939 9.410 1.00 0.00 ATOM 45 CG ARG 6 10.332 26.750 7.939 1.00 0.00 ATOM 46 CD ARG 6 9.436 27.694 7.149 1.00 0.00 ATOM 47 NE ARG 6 9.710 27.614 5.718 1.00 0.00 ATOM 48 CZ ARG 6 9.298 26.631 4.912 1.00 0.00 ATOM 49 NH1 ARG 6 8.553 25.631 5.357 1.00 0.00 ATOM 50 NH2 ARG 6 9.633 26.627 3.635 1.00 0.00 ATOM 51 O ARG 6 10.577 23.657 9.321 1.00 0.00 ATOM 52 C ARG 6 10.020 24.519 9.997 1.00 0.00 ATOM 53 N PRO 7 8.802 24.345 10.512 1.00 0.00 ATOM 54 CA PRO 7 8.052 23.156 10.151 1.00 0.00 ATOM 55 CB PRO 7 6.727 23.328 10.881 1.00 0.00 ATOM 56 CG PRO 7 7.074 24.185 12.050 1.00 0.00 ATOM 57 CD PRO 7 8.101 25.155 11.523 1.00 0.00 ATOM 58 O PRO 7 7.689 24.038 7.944 1.00 0.00 ATOM 59 C PRO 7 7.869 23.038 8.637 1.00 0.00 ATOM 60 N ALA 8 7.919 21.815 8.136 1.00 0.00 ATOM 61 CA ALA 8 7.642 21.542 6.739 1.00 0.00 ATOM 62 CB ALA 8 7.872 20.065 6.462 1.00 0.00 ATOM 63 O ALA 8 5.286 21.815 7.171 1.00 0.00 ATOM 64 C ALA 8 6.223 21.962 6.363 1.00 0.00 ATOM 65 N GLU 9 6.073 22.434 5.131 1.00 0.00 ATOM 66 CA GLU 9 4.796 22.910 4.617 1.00 0.00 ATOM 67 CB GLU 9 4.883 24.424 4.355 1.00 0.00 ATOM 68 CG GLU 9 5.046 25.209 5.656 1.00 0.00 ATOM 69 CD GLU 9 5.319 26.695 5.504 1.00 0.00 ATOM 70 OE1 GLU 9 5.372 27.223 4.379 1.00 0.00 ATOM 71 OE2 GLU 9 5.478 27.352 6.542 1.00 0.00 ATOM 72 O GLU 9 5.401 21.653 2.696 1.00 0.00 ATOM 73 C GLU 9 4.495 22.190 3.322 1.00 0.00 ATOM 74 N THR 10 3.240 22.194 2.879 1.00 0.00 ATOM 75 CA THR 10 2.886 21.460 1.669 1.00 0.00 ATOM 76 CB THR 10 1.353 21.435 1.375 1.00 0.00 ATOM 77 CG2 THR 10 0.597 20.926 2.536 1.00 0.00 ATOM 78 OG1 THR 10 0.887 22.737 1.080 1.00 0.00 ATOM 79 O THR 10 4.026 21.170 -0.421 1.00 0.00 ATOM 80 C THR 10 3.665 21.958 0.448 1.00 0.00 ATOM 81 N GLY 11 3.973 23.251 0.402 1.00 0.00 ATOM 82 CA GLY 11 4.750 23.808 -0.689 1.00 0.00 ATOM 83 O GLY 11 6.827 23.469 -1.810 1.00 0.00 ATOM 84 C GLY 11 6.187 23.320 -0.763 1.00 0.00 ATOM 85 N ASP 12 6.690 22.727 0.324 1.00 0.00 ATOM 86 CA ASP 12 8.046 22.189 0.334 1.00 0.00 ATOM 87 CB ASP 12 8.578 22.111 1.758 1.00 0.00 ATOM 88 CG ASP 12 8.563 23.415 2.500 1.00 0.00 ATOM 89 OD1 ASP 12 8.852 24.471 1.907 1.00 0.00 ATOM 90 OD2 ASP 12 8.357 23.347 3.737 1.00 0.00 ATOM 91 O ASP 12 9.191 20.279 -0.501 1.00 0.00 ATOM 92 C ASP 12 8.105 20.773 -0.246 1.00 0.00 ATOM 93 N LEU 13 6.970 20.083 -0.383 1.00 0.00 ATOM 94 CA LEU 13 6.962 18.647 -0.702 1.00 0.00 ATOM 95 CB LEU 13 5.527 18.119 -0.716 1.00 0.00 ATOM 96 CG LEU 13 4.732 18.113 0.587 1.00 0.00 ATOM 97 CD1 LEU 13 3.267 17.785 0.281 1.00 0.00 ATOM 98 CD2 LEU 13 5.282 17.115 1.552 1.00 0.00 ATOM 99 O LEU 13 8.415 17.321 -1.980 1.00 0.00 ATOM 100 C LEU 13 7.661 18.279 -1.966 1.00 0.00 ATOM 101 N GLU 14 7.397 19.025 -3.035 1.00 0.00 ATOM 102 CA GLU 14 7.977 18.692 -4.336 1.00 0.00 ATOM 103 CB GLU 14 7.411 19.631 -5.403 1.00 0.00 ATOM 104 CG GLU 14 7.939 19.499 -6.792 1.00 0.00 ATOM 105 CD GLU 14 7.491 20.663 -7.656 1.00 0.00 ATOM 106 OE1 GLU 14 6.290 20.726 -7.973 1.00 0.00 ATOM 107 OE2 GLU 14 8.327 21.532 -8.001 1.00 0.00 ATOM 108 O GLU 14 10.203 17.859 -4.755 1.00 0.00 ATOM 109 C GLU 14 9.504 18.760 -4.265 1.00 0.00 ATOM 110 N THR 15 10.027 19.813 -3.638 1.00 0.00 ATOM 111 CA THR 15 11.472 19.976 -3.519 1.00 0.00 ATOM 112 CB THR 15 11.786 21.331 -2.881 1.00 0.00 ATOM 113 CG2 THR 15 13.271 21.518 -2.670 1.00 0.00 ATOM 114 OG1 THR 15 11.268 22.366 -3.734 1.00 0.00 ATOM 115 O THR 15 13.058 18.186 -3.129 1.00 0.00 ATOM 116 C THR 15 12.096 18.836 -2.696 1.00 0.00 ATOM 117 N VAL 16 11.514 18.547 -1.537 1.00 0.00 ATOM 118 CA VAL 16 12.057 17.507 -0.668 1.00 0.00 ATOM 119 CB VAL 16 11.351 17.509 0.702 1.00 0.00 ATOM 120 CG1 VAL 16 11.841 16.365 1.564 1.00 0.00 ATOM 121 CG2 VAL 16 11.657 18.805 1.420 1.00 0.00 ATOM 122 O VAL 16 12.897 15.323 -1.224 1.00 0.00 ATOM 123 C VAL 16 11.971 16.140 -1.324 1.00 0.00 ATOM 124 N ALA 17 10.863 15.869 -1.991 1.00 0.00 ATOM 125 CA ALA 17 10.721 14.577 -2.659 1.00 0.00 ATOM 126 CB ALA 17 9.313 14.401 -3.184 1.00 0.00 ATOM 127 O ALA 17 11.984 13.240 -4.155 1.00 0.00 ATOM 128 C ALA 17 11.728 14.374 -3.777 1.00 0.00 ATOM 129 N GLY 18 12.318 15.461 -4.253 1.00 0.00 ATOM 130 CA GLY 18 13.383 15.378 -5.232 1.00 0.00 ATOM 131 O GLY 18 15.708 14.897 -5.440 1.00 0.00 ATOM 132 C GLY 18 14.765 15.077 -4.670 1.00 0.00 ATOM 133 N PHE 19 14.920 15.038 -3.342 1.00 0.00 ATOM 134 CA PHE 19 16.253 14.880 -2.763 1.00 0.00 ATOM 135 CB PHE 19 16.268 15.241 -1.257 1.00 0.00 ATOM 136 CG PHE 19 16.060 16.705 -0.927 1.00 0.00 ATOM 137 CD1 PHE 19 16.066 17.695 -1.888 1.00 0.00 ATOM 138 CD2 PHE 19 15.885 17.074 0.391 1.00 0.00 ATOM 139 CE1 PHE 19 15.891 19.034 -1.526 1.00 0.00 ATOM 140 CE2 PHE 19 15.710 18.428 0.775 1.00 0.00 ATOM 141 CZ PHE 19 15.724 19.432 -0.230 1.00 0.00 ATOM 142 O PHE 19 18.077 13.440 -3.357 1.00 0.00 ATOM 143 C PHE 19 16.910 13.496 -2.981 1.00 0.00 ATOM 144 N PRO 20 16.169 12.394 -2.774 1.00 0.00 ATOM 145 CA PRO 20 16.816 11.083 -3.031 1.00 0.00 ATOM 146 CB PRO 20 15.794 10.072 -2.527 1.00 0.00 ATOM 147 CG PRO 20 14.864 10.854 -1.584 1.00 0.00 ATOM 148 CD PRO 20 14.822 12.254 -2.193 1.00 0.00 ATOM 149 O PRO 20 16.217 10.982 -5.345 1.00 0.00 ATOM 150 C PRO 20 17.109 10.865 -4.516 1.00 0.00 ATOM 151 N GLN 21 18.343 10.498 -4.834 1.00 0.00 ATOM 152 CA GLN 21 18.766 10.462 -6.240 1.00 0.00 ATOM 153 CB GLN 21 20.193 11.010 -6.362 1.00 0.00 ATOM 154 CG GLN 21 20.279 12.471 -5.999 1.00 0.00 ATOM 155 CD GLN 21 19.345 13.317 -6.838 1.00 0.00 ATOM 156 OE1 GLN 21 19.542 13.468 -8.051 1.00 0.00 ATOM 157 NE2 GLN 21 18.337 13.913 -6.192 1.00 0.00 ATOM 158 O GLN 21 18.781 9.050 -8.132 1.00 0.00 ATOM 159 C GLN 21 18.676 9.121 -6.909 1.00 0.00 ATOM 160 N ASP 22 18.519 8.052 -6.134 1.00 0.00 ATOM 161 CA ASP 22 18.407 6.709 -6.693 1.00 0.00 ATOM 162 CB ASP 22 19.785 6.169 -7.129 1.00 0.00 ATOM 163 CG ASP 22 20.786 6.124 -6.009 1.00 0.00 ATOM 164 OD1 ASP 22 20.463 5.562 -4.958 1.00 0.00 ATOM 165 OD2 ASP 22 21.927 6.621 -6.194 1.00 0.00 ATOM 166 O ASP 22 17.455 6.252 -4.542 1.00 0.00 ATOM 167 C ASP 22 17.733 5.820 -5.663 1.00 0.00 ATOM 168 N ARG 23 17.439 4.593 -6.066 1.00 0.00 ATOM 169 CA ARG 23 16.753 3.605 -5.228 1.00 0.00 ATOM 170 CB ARG 23 16.717 2.266 -5.954 1.00 0.00 ATOM 171 CG ARG 23 15.743 2.228 -7.053 1.00 0.00 ATOM 172 CD ARG 23 16.076 1.151 -8.057 1.00 0.00 ATOM 173 NE ARG 23 14.986 0.995 -9.015 1.00 0.00 ATOM 174 CZ ARG 23 14.811 1.735 -10.109 1.00 0.00 ATOM 175 NH1 ARG 23 15.664 2.693 -10.434 1.00 0.00 ATOM 176 NH2 ARG 23 13.766 1.499 -10.889 1.00 0.00 ATOM 177 O ARG 23 16.760 3.210 -2.892 1.00 0.00 ATOM 178 C ARG 23 17.426 3.365 -3.907 1.00 0.00 ATOM 179 N ASP 24 18.751 3.286 -3.939 1.00 0.00 ATOM 180 CA ASP 24 19.533 3.094 -2.723 1.00 0.00 ATOM 181 CB ASP 24 21.007 2.860 -3.063 1.00 0.00 ATOM 182 CG ASP 24 21.254 1.489 -3.658 1.00 0.00 ATOM 183 OD1 ASP 24 20.416 0.588 -3.445 1.00 0.00 ATOM 184 OD2 ASP 24 22.286 1.310 -4.340 1.00 0.00 ATOM 185 O ASP 24 19.285 4.099 -0.559 1.00 0.00 ATOM 186 C ASP 24 19.400 4.278 -1.772 1.00 0.00 ATOM 187 N GLU 25 19.416 5.489 -2.322 1.00 0.00 ATOM 188 CA GLU 25 19.346 6.696 -1.503 1.00 0.00 ATOM 189 CB GLU 25 19.650 7.946 -2.335 1.00 0.00 ATOM 190 CG GLU 25 21.137 8.146 -2.634 1.00 0.00 ATOM 191 CD GLU 25 21.466 9.576 -3.019 1.00 0.00 ATOM 192 OE1 GLU 25 20.538 10.410 -3.065 1.00 0.00 ATOM 193 OE2 GLU 25 22.654 9.866 -3.274 1.00 0.00 ATOM 194 O GLU 25 17.846 7.303 0.267 1.00 0.00 ATOM 195 C GLU 25 17.970 6.834 -0.863 1.00 0.00 ATOM 196 N LEU 26 16.938 6.428 -1.595 1.00 0.00 ATOM 197 CA LEU 26 15.577 6.463 -1.078 1.00 0.00 ATOM 198 CB LEU 26 14.575 6.207 -2.204 1.00 0.00 ATOM 199 CG LEU 26 13.103 6.164 -1.793 1.00 0.00 ATOM 200 CD1 LEU 26 12.681 7.481 -1.149 1.00 0.00 ATOM 201 CD2 LEU 26 12.234 5.852 -2.999 1.00 0.00 ATOM 202 O LEU 26 14.654 5.649 0.982 1.00 0.00 ATOM 203 C LEU 26 15.395 5.426 0.025 1.00 0.00 ATOM 204 N PHE 27 16.078 4.294 -0.114 1.00 0.00 ATOM 205 CA PHE 27 15.949 3.204 0.846 1.00 0.00 ATOM 206 CB PHE 27 16.631 1.938 0.319 1.00 0.00 ATOM 207 CG PHE 27 16.766 0.853 1.349 1.00 0.00 ATOM 208 CD1 PHE 27 15.645 0.214 1.851 1.00 0.00 ATOM 209 CD2 PHE 27 18.013 0.475 1.819 1.00 0.00 ATOM 210 CE1 PHE 27 15.765 -0.783 2.801 1.00 0.00 ATOM 211 CE2 PHE 27 18.139 -0.522 2.768 1.00 0.00 ATOM 212 CZ PHE 27 17.013 -1.151 3.259 1.00 0.00 ATOM 213 O PHE 27 16.022 3.265 3.244 1.00 0.00 ATOM 214 C PHE 27 16.561 3.593 2.188 1.00 0.00 ATOM 215 N TYR 28 17.691 4.292 2.139 1.00 0.00 ATOM 216 CA TYR 28 18.292 4.855 3.342 1.00 0.00 ATOM 217 CB TYR 28 19.672 5.438 3.025 1.00 0.00 ATOM 218 CG TYR 28 20.571 4.516 2.228 1.00 0.00 ATOM 219 CD1 TYR 28 20.527 3.138 2.404 1.00 0.00 ATOM 220 CD2 TYR 28 21.469 5.027 1.300 1.00 0.00 ATOM 221 CE1 TYR 28 21.350 2.296 1.678 1.00 0.00 ATOM 222 CE2 TYR 28 22.296 4.193 0.569 1.00 0.00 ATOM 223 CZ TYR 28 22.232 2.830 0.763 1.00 0.00 ATOM 224 OH TYR 28 23.051 1.995 0.038 1.00 0.00 ATOM 225 O TYR 28 17.249 6.024 5.158 1.00 0.00 ATOM 226 C TYR 28 17.397 5.936 3.940 1.00 0.00 ATOM 227 N CYS 29 16.805 6.755 3.079 1.00 0.00 ATOM 228 CA CYS 29 16.047 7.917 3.527 1.00 0.00 ATOM 229 CB CYS 29 15.797 8.869 2.356 1.00 0.00 ATOM 230 SG CYS 29 17.292 9.655 1.710 1.00 0.00 ATOM 231 O CYS 29 14.152 8.205 4.971 1.00 0.00 ATOM 232 C CYS 29 14.719 7.491 4.144 1.00 0.00 ATOM 233 N TYR 30 14.228 6.324 3.738 1.00 0.00 ATOM 234 CA TYR 30 12.839 5.951 3.981 1.00 0.00 ATOM 235 CB TYR 30 11.904 6.941 3.274 1.00 0.00 ATOM 236 CG TYR 30 10.421 6.815 3.597 1.00 0.00 ATOM 237 CD1 TYR 30 9.933 5.838 4.464 1.00 0.00 ATOM 238 CD2 TYR 30 9.505 7.688 3.022 1.00 0.00 ATOM 239 CE1 TYR 30 8.578 5.745 4.742 1.00 0.00 ATOM 240 CE2 TYR 30 8.154 7.598 3.297 1.00 0.00 ATOM 241 CZ TYR 30 7.697 6.625 4.156 1.00 0.00 ATOM 242 OH TYR 30 6.352 6.533 4.431 1.00 0.00 ATOM 243 O TYR 30 12.181 4.364 2.308 1.00 0.00 ATOM 244 C TYR 30 12.594 4.540 3.453 1.00 0.00 ATOM 245 N PRO 31 12.866 3.538 4.283 1.00 0.00 ATOM 246 CA PRO 31 12.922 2.148 3.816 1.00 0.00 ATOM 247 CB PRO 31 13.244 1.376 5.094 1.00 0.00 ATOM 248 CG PRO 31 14.170 2.316 5.838 1.00 0.00 ATOM 249 CD PRO 31 13.555 3.705 5.577 1.00 0.00 ATOM 250 O PRO 31 11.631 0.805 2.319 1.00 0.00 ATOM 251 C PRO 31 11.610 1.656 3.207 1.00 0.00 ATOM 252 N LYS 32 10.486 2.185 3.682 1.00 0.00 ATOM 253 CA LYS 32 9.176 1.665 3.298 1.00 0.00 ATOM 254 CB LYS 32 8.135 1.969 4.379 1.00 0.00 ATOM 255 CG LYS 32 8.287 1.139 5.650 1.00 0.00 ATOM 256 CD LYS 32 7.021 1.188 6.503 1.00 0.00 ATOM 257 CE LYS 32 6.596 2.615 6.838 1.00 0.00 ATOM 258 NZ LYS 32 7.655 3.387 7.566 1.00 0.00 ATOM 259 O LYS 32 7.826 1.748 1.313 1.00 0.00 ATOM 260 C LYS 32 8.726 2.269 1.972 1.00 0.00 ATOM 261 N ALA 33 9.357 3.374 1.590 1.00 0.00 ATOM 262 CA ALA 33 9.030 4.057 0.344 1.00 0.00 ATOM 263 CB ALA 33 9.869 5.322 0.202 1.00 0.00 ATOM 264 O ALA 33 10.008 2.165 -0.766 1.00 0.00 ATOM 265 C ALA 33 9.256 3.135 -0.851 1.00 0.00 ATOM 266 N ILE 34 8.596 3.446 -1.961 1.00 0.00 ATOM 267 CA ILE 34 8.839 2.750 -3.219 1.00 0.00 ATOM 268 CB ILE 34 7.571 2.015 -3.699 1.00 0.00 ATOM 269 CG1 ILE 34 7.115 1.007 -2.639 1.00 0.00 ATOM 270 CG2 ILE 34 7.841 1.307 -5.028 1.00 0.00 ATOM 271 CD1 ILE 34 5.837 0.273 -2.992 1.00 0.00 ATOM 272 O ILE 34 8.541 4.682 -4.615 1.00 0.00 ATOM 273 C ILE 34 9.274 3.746 -4.296 1.00 0.00 ATOM 274 N TRP 35 10.467 3.548 -4.851 1.00 0.00 ATOM 275 CA TRP 35 10.913 4.308 -6.016 1.00 0.00 ATOM 276 CB TRP 35 12.291 3.809 -6.460 1.00 0.00 ATOM 277 CG TRP 35 12.943 4.657 -7.507 1.00 0.00 ATOM 278 CD1 TRP 35 12.896 4.472 -8.858 1.00 0.00 ATOM 279 CD2 TRP 35 13.754 5.818 -7.291 1.00 0.00 ATOM 280 CE2 TRP 35 14.159 6.287 -8.555 1.00 0.00 ATOM 281 CE3 TRP 35 14.174 6.508 -6.149 1.00 0.00 ATOM 282 NE1 TRP 35 13.622 5.448 -9.496 1.00 0.00 ATOM 283 CZ2 TRP 35 14.963 7.414 -8.712 1.00 0.00 ATOM 284 CZ3 TRP 35 14.972 7.627 -6.306 1.00 0.00 ATOM 285 CH2 TRP 35 15.358 8.069 -7.578 1.00 0.00 ATOM 286 O TRP 35 9.331 3.067 -7.317 1.00 0.00 ATOM 287 C TRP 35 9.909 4.142 -7.153 1.00 0.00 ATOM 288 N PRO 36 9.700 5.192 -7.945 1.00 0.00 ATOM 289 CA PRO 36 10.144 6.541 -7.636 1.00 0.00 ATOM 290 CB PRO 36 9.913 7.287 -8.956 1.00 0.00 ATOM 291 CG PRO 36 8.754 6.612 -9.521 1.00 0.00 ATOM 292 CD PRO 36 8.916 5.162 -9.197 1.00 0.00 ATOM 293 O PRO 36 8.213 6.950 -6.285 1.00 0.00 ATOM 294 C PRO 36 9.382 7.206 -6.504 1.00 0.00 ATOM 295 N PHE 37 10.089 8.045 -5.769 1.00 0.00 ATOM 296 CA PHE 37 9.490 8.784 -4.675 1.00 0.00 ATOM 297 CB PHE 37 10.585 9.423 -3.826 1.00 0.00 ATOM 298 CG PHE 37 10.175 9.766 -2.403 1.00 0.00 ATOM 299 CD1 PHE 37 9.338 8.951 -1.641 1.00 0.00 ATOM 300 CD2 PHE 37 10.677 10.928 -1.816 1.00 0.00 ATOM 301 CE1 PHE 37 9.041 9.302 -0.332 1.00 0.00 ATOM 302 CE2 PHE 37 10.376 11.264 -0.516 1.00 0.00 ATOM 303 CZ PHE 37 9.549 10.464 0.221 1.00 0.00 ATOM 304 O PHE 37 8.580 10.133 -6.444 1.00 0.00 ATOM 305 C PHE 37 8.534 9.805 -5.247 1.00 0.00 ATOM 306 N SER 38 7.631 10.268 -4.407 1.00 0.00 ATOM 307 CA SER 38 6.570 11.173 -4.827 1.00 0.00 ATOM 308 CB SER 38 5.380 10.378 -5.370 1.00 0.00 ATOM 309 OG SER 38 4.761 9.619 -4.345 1.00 0.00 ATOM 310 O SER 38 6.304 11.632 -2.488 1.00 0.00 ATOM 311 C SER 38 6.124 12.001 -3.650 1.00 0.00 ATOM 312 N VAL 39 5.491 13.113 -3.955 1.00 0.00 ATOM 313 CA VAL 39 4.947 13.939 -2.918 1.00 0.00 ATOM 314 CB VAL 39 4.383 15.276 -3.481 1.00 0.00 ATOM 315 CG1 VAL 39 5.492 16.129 -4.012 1.00 0.00 ATOM 316 CG2 VAL 39 3.271 15.073 -4.510 1.00 0.00 ATOM 317 O VAL 39 3.796 13.435 -0.886 1.00 0.00 ATOM 318 C VAL 39 3.896 13.198 -2.089 1.00 0.00 ATOM 319 N ALA 40 3.110 12.313 -2.689 1.00 0.00 ATOM 320 CA ALA 40 2.088 11.589 -1.932 1.00 0.00 ATOM 321 CB ALA 40 1.181 10.796 -2.852 1.00 0.00 ATOM 322 O ALA 40 2.285 10.596 0.249 1.00 0.00 ATOM 323 C ALA 40 2.748 10.677 -0.895 1.00 0.00 ATOM 324 N GLN 41 3.825 9.985 -1.270 1.00 0.00 ATOM 325 CA GLN 41 4.530 9.151 -0.291 1.00 0.00 ATOM 326 CB GLN 41 5.634 8.323 -0.936 1.00 0.00 ATOM 327 CG GLN 41 5.127 7.238 -1.885 1.00 0.00 ATOM 328 CD GLN 41 6.261 6.363 -2.375 1.00 0.00 ATOM 329 OE1 GLN 41 6.844 5.626 -1.606 1.00 0.00 ATOM 330 NE2 GLN 41 6.636 6.503 -3.646 1.00 0.00 ATOM 331 O GLN 41 5.127 9.583 1.994 1.00 0.00 ATOM 332 C GLN 41 5.150 9.983 0.821 1.00 0.00 ATOM 333 N LEU 42 5.709 11.146 0.472 1.00 0.00 ATOM 334 CA LEU 42 6.275 12.030 1.476 1.00 0.00 ATOM 335 CB LEU 42 7.042 13.170 0.815 1.00 0.00 ATOM 336 CG LEU 42 7.693 14.171 1.747 1.00 0.00 ATOM 337 CD1 LEU 42 8.668 13.507 2.704 1.00 0.00 ATOM 338 CD2 LEU 42 8.393 15.264 0.965 1.00 0.00 ATOM 339 O LEU 42 5.375 12.562 3.674 1.00 0.00 ATOM 340 C LEU 42 5.191 12.550 2.440 1.00 0.00 ATOM 341 N ALA 43 4.059 12.962 1.893 1.00 0.00 ATOM 342 CA ALA 43 2.987 13.461 2.738 1.00 0.00 ATOM 343 CB ALA 43 1.852 14.030 1.903 1.00 0.00 ATOM 344 O ALA 43 2.143 12.640 4.827 1.00 0.00 ATOM 345 C ALA 43 2.466 12.360 3.669 1.00 0.00 ATOM 346 N ALA 44 2.423 11.118 3.199 1.00 0.00 ATOM 347 CA ALA 44 1.953 10.014 4.041 1.00 0.00 ATOM 348 CB ALA 44 1.807 8.763 3.231 1.00 0.00 ATOM 349 O ALA 44 2.527 9.515 6.323 1.00 0.00 ATOM 350 C ALA 44 2.931 9.788 5.188 1.00 0.00 ATOM 351 N ALA 45 4.222 9.915 4.907 1.00 0.00 ATOM 352 CA ALA 45 5.226 9.805 5.976 1.00 0.00 ATOM 353 CB ALA 45 6.610 9.878 5.422 1.00 0.00 ATOM 354 O ALA 45 5.094 10.608 8.211 1.00 0.00 ATOM 355 C ALA 45 5.062 10.888 7.004 1.00 0.00 ATOM 356 N ILE 46 4.876 12.118 6.550 1.00 0.00 ATOM 357 CA ILE 46 4.735 13.257 7.445 1.00 0.00 ATOM 358 CB ILE 46 4.612 14.562 6.657 1.00 0.00 ATOM 359 CG1 ILE 46 5.969 14.921 6.041 1.00 0.00 ATOM 360 CG2 ILE 46 4.093 15.702 7.518 1.00 0.00 ATOM 361 CD1 ILE 46 5.888 16.040 5.010 1.00 0.00 ATOM 362 O ILE 46 3.598 13.253 9.577 1.00 0.00 ATOM 363 C ILE 46 3.525 13.043 8.356 1.00 0.00 ATOM 364 N ALA 47 2.420 12.579 7.800 1.00 0.00 ATOM 365 CA ALA 47 1.204 12.383 8.588 1.00 0.00 ATOM 366 CB ALA 47 0.051 12.014 7.675 1.00 0.00 ATOM 367 O ALA 47 0.663 11.373 10.689 1.00 0.00 ATOM 368 C ALA 47 1.378 11.323 9.680 1.00 0.00 ATOM 369 N GLU 48 2.264 10.353 9.479 1.00 0.00 ATOM 370 CA GLU 48 2.530 9.256 10.435 1.00 0.00 ATOM 371 CB GLU 48 3.016 8.013 9.669 1.00 0.00 ATOM 372 CG GLU 48 1.991 7.299 8.842 1.00 0.00 ATOM 373 CD GLU 48 2.513 5.975 8.367 1.00 0.00 ATOM 374 OE1 GLU 48 3.703 5.908 7.974 1.00 0.00 ATOM 375 OE2 GLU 48 1.749 4.986 8.413 1.00 0.00 ATOM 376 O GLU 48 3.911 8.751 12.341 1.00 0.00 ATOM 377 C GLU 48 3.627 9.574 11.446 1.00 0.00 ATOM 378 N ARG 49 4.280 10.725 11.289 1.00 0.00 ATOM 379 CA ARG 49 5.479 11.057 12.056 1.00 0.00 ATOM 380 CB ARG 49 6.666 11.086 11.105 1.00 0.00 ATOM 381 CG ARG 49 6.982 9.710 10.614 1.00 0.00 ATOM 382 CD ARG 49 8.018 9.705 9.590 1.00 0.00 ATOM 383 NE ARG 49 8.114 8.333 9.189 1.00 0.00 ATOM 384 CZ ARG 49 9.206 7.727 8.823 1.00 0.00 ATOM 385 NH1 ARG 49 10.353 8.373 8.808 1.00 0.00 ATOM 386 NH2 ARG 49 9.106 6.429 8.497 1.00 0.00 ATOM 387 O ARG 49 4.179 12.871 12.918 1.00 0.00 ATOM 388 C ARG 49 5.283 12.340 12.841 1.00 0.00 ATOM 389 N ARG 50 6.345 12.811 13.485 1.00 0.00 ATOM 390 CA ARG 50 6.307 14.034 14.250 1.00 0.00 ATOM 391 CB ARG 50 6.285 13.768 15.778 1.00 0.00 ATOM 392 CG ARG 50 5.093 13.017 16.278 1.00 0.00 ATOM 393 CD ARG 50 3.841 13.858 16.242 1.00 0.00 ATOM 394 NE ARG 50 2.721 13.102 16.819 1.00 0.00 ATOM 395 CZ ARG 50 1.958 12.230 16.151 1.00 0.00 ATOM 396 NH1 ARG 50 2.154 11.962 14.860 1.00 0.00 ATOM 397 NH2 ARG 50 0.976 11.599 16.783 1.00 0.00 ATOM 398 O ARG 50 8.572 14.373 13.609 1.00 0.00 ATOM 399 C ARG 50 7.505 14.877 13.944 1.00 0.00 ATOM 400 N GLY 51 7.356 16.176 14.092 1.00 0.00 ATOM 401 CA GLY 51 8.489 17.060 14.034 1.00 0.00 ATOM 402 O GLY 51 10.265 17.598 12.556 1.00 0.00 ATOM 403 C GLY 51 9.082 17.294 12.650 1.00 0.00 ATOM 404 N SER 52 8.287 17.167 11.583 1.00 0.00 ATOM 405 CA SER 52 8.791 17.352 10.220 1.00 0.00 ATOM 406 CB SER 52 7.773 16.912 9.163 1.00 0.00 ATOM 407 OG SER 52 7.712 15.489 9.080 1.00 0.00 ATOM 408 O SER 52 8.401 19.700 10.121 1.00 0.00 ATOM 409 C SER 52 9.221 18.782 10.018 1.00 0.00 ATOM 410 N THR 53 10.511 18.952 9.727 1.00 0.00 ATOM 411 CA THR 53 11.221 20.242 9.774 1.00 0.00 ATOM 412 CB THR 53 12.149 20.272 11.005 1.00 0.00 ATOM 413 CG2 THR 53 12.891 21.568 11.145 1.00 0.00 ATOM 414 OG1 THR 53 11.368 20.051 12.180 1.00 0.00 ATOM 415 O THR 53 12.697 19.409 8.069 1.00 0.00 ATOM 416 C THR 53 12.064 20.383 8.497 1.00 0.00 ATOM 417 N VAL 54 12.108 21.579 7.920 1.00 0.00 ATOM 418 CA VAL 54 13.015 21.864 6.841 1.00 0.00 ATOM 419 CB VAL 54 12.286 22.426 5.583 1.00 0.00 ATOM 420 CG1 VAL 54 11.390 21.361 4.953 1.00 0.00 ATOM 421 CG2 VAL 54 11.496 23.698 5.892 1.00 0.00 ATOM 422 O VAL 54 13.886 23.691 8.173 1.00 0.00 ATOM 423 C VAL 54 14.097 22.850 7.282 1.00 0.00 ATOM 424 N ALA 55 15.264 22.720 6.647 1.00 0.00 ATOM 425 CA ALA 55 16.357 23.660 6.767 1.00 0.00 ATOM 426 CB ALA 55 17.675 22.923 6.986 1.00 0.00 ATOM 427 O ALA 55 16.367 23.904 4.408 1.00 0.00 ATOM 428 C ALA 55 16.441 24.475 5.491 1.00 0.00 ATOM 429 N VAL 56 16.629 25.788 5.649 1.00 0.00 ATOM 430 CA VAL 56 16.577 26.757 4.570 1.00 0.00 ATOM 431 CB VAL 56 15.328 27.682 4.752 1.00 0.00 ATOM 432 CG1 VAL 56 15.291 28.780 3.692 1.00 0.00 ATOM 433 CG2 VAL 56 14.051 26.870 4.719 1.00 0.00 ATOM 434 O VAL 56 18.347 28.027 5.589 1.00 0.00 ATOM 435 C VAL 56 17.867 27.585 4.550 1.00 0.00 ATOM 436 N HIS 57 18.423 27.769 3.362 1.00 0.00 ATOM 437 CA HIS 57 19.565 28.665 3.183 1.00 0.00 ATOM 438 CB HIS 57 20.860 27.852 3.138 1.00 0.00 ATOM 439 CG HIS 57 22.032 28.593 2.569 1.00 0.00 ATOM 440 CD2 HIS 57 22.539 28.625 1.316 1.00 0.00 ATOM 441 ND1 HIS 57 22.814 29.436 3.321 1.00 0.00 ATOM 442 CE1 HIS 57 23.752 29.964 2.557 1.00 0.00 ATOM 443 NE2 HIS 57 23.611 29.487 1.335 1.00 0.00 ATOM 444 O HIS 57 19.102 28.830 0.854 1.00 0.00 ATOM 445 C HIS 57 19.397 29.418 1.886 1.00 0.00 ATOM 446 N ASP 58 19.580 30.735 1.941 1.00 0.00 ATOM 447 CA ASP 58 19.462 31.586 0.749 1.00 0.00 ATOM 448 CB ASP 58 20.668 31.382 -0.181 1.00 0.00 ATOM 449 CG ASP 58 20.755 32.412 -1.306 1.00 0.00 ATOM 450 OD1 ASP 58 20.303 33.552 -1.127 1.00 0.00 ATOM 451 OD2 ASP 58 21.281 32.038 -2.369 1.00 0.00 ATOM 452 O ASP 58 18.117 31.223 -1.230 1.00 0.00 ATOM 453 C ASP 58 18.149 31.324 0.011 1.00 0.00 ATOM 454 N GLY 59 17.068 31.211 0.778 1.00 0.00 ATOM 455 CA GLY 59 15.745 30.974 0.200 1.00 0.00 ATOM 456 O GLY 59 14.368 29.306 -0.836 1.00 0.00 ATOM 457 C GLY 59 15.451 29.573 -0.303 1.00 0.00 ATOM 458 N GLN 60 16.385 28.646 -0.137 1.00 0.00 ATOM 459 CA GLN 60 16.185 27.314 -0.682 1.00 0.00 ATOM 460 CB GLN 60 17.385 26.911 -1.526 1.00 0.00 ATOM 461 CG GLN 60 17.809 27.932 -2.578 1.00 0.00 ATOM 462 CD GLN 60 16.738 28.180 -3.621 1.00 0.00 ATOM 463 OE1 GLN 60 16.067 27.257 -4.082 1.00 0.00 ATOM 464 NE2 GLN 60 16.568 29.450 -4.002 1.00 0.00 ATOM 465 O GLN 60 16.786 26.327 1.418 1.00 0.00 ATOM 466 C GLN 60 16.018 26.317 0.445 1.00 0.00 ATOM 467 N VAL 61 15.050 25.425 0.287 1.00 0.00 ATOM 468 CA VAL 61 14.923 24.268 1.169 1.00 0.00 ATOM 469 CB VAL 61 13.550 23.645 1.017 1.00 0.00 ATOM 470 CG1 VAL 61 13.451 22.324 1.779 1.00 0.00 ATOM 471 CG2 VAL 61 12.471 24.618 1.526 1.00 0.00 ATOM 472 O VAL 61 16.049 22.756 -0.302 1.00 0.00 ATOM 473 C VAL 61 16.006 23.243 0.836 1.00 0.00 ATOM 474 N LEU 62 16.917 22.992 1.784 1.00 0.00 ATOM 475 CA LEU 62 18.094 22.152 1.553 1.00 0.00 ATOM 476 CB LEU 62 19.380 22.921 1.874 1.00 0.00 ATOM 477 CG LEU 62 19.688 24.177 1.046 1.00 0.00 ATOM 478 CD1 LEU 62 21.072 24.656 1.360 1.00 0.00 ATOM 479 CD2 LEU 62 19.578 23.850 -0.410 1.00 0.00 ATOM 480 O LEU 62 18.844 19.963 2.061 1.00 0.00 ATOM 481 C LEU 62 18.067 20.859 2.347 1.00 0.00 ATOM 482 N GLY 63 17.206 20.769 3.350 1.00 0.00 ATOM 483 CA GLY 63 17.178 19.589 4.205 1.00 0.00 ATOM 484 O GLY 63 15.053 20.314 4.960 1.00 0.00 ATOM 485 C GLY 63 15.826 19.379 4.839 1.00 0.00 ATOM 486 N PHE 64 15.558 18.125 5.188 1.00 0.00 ATOM 487 CA PHE 64 14.308 17.693 5.801 1.00 0.00 ATOM 488 CB PHE 64 13.347 17.203 4.707 1.00 0.00 ATOM 489 CG PHE 64 12.069 16.591 5.192 1.00 0.00 ATOM 490 CD1 PHE 64 10.956 17.369 5.421 1.00 0.00 ATOM 491 CD2 PHE 64 11.967 15.229 5.373 1.00 0.00 ATOM 492 CE1 PHE 64 9.798 16.796 5.827 1.00 0.00 ATOM 493 CE2 PHE 64 10.799 14.656 5.800 1.00 0.00 ATOM 494 CZ PHE 64 9.718 15.446 6.046 1.00 0.00 ATOM 495 O PHE 64 15.347 15.698 6.529 1.00 0.00 ATOM 496 C PHE 64 14.587 16.604 6.819 1.00 0.00 ATOM 497 N ALA 65 13.939 16.673 7.982 1.00 0.00 ATOM 498 CA ALA 65 14.043 15.621 8.972 1.00 0.00 ATOM 499 CB ALA 65 15.240 15.847 9.857 1.00 0.00 ATOM 500 O ALA 65 11.979 16.470 9.831 1.00 0.00 ATOM 501 C ALA 65 12.764 15.539 9.780 1.00 0.00 ATOM 502 N ASN 66 12.549 14.391 10.415 1.00 0.00 ATOM 503 CA ASN 66 11.464 14.188 11.365 1.00 0.00 ATOM 504 CB ASN 66 10.146 13.874 10.646 1.00 0.00 ATOM 505 CG ASN 66 10.231 12.694 9.738 1.00 0.00 ATOM 506 ND2 ASN 66 9.522 12.783 8.625 1.00 0.00 ATOM 507 OD1 ASN 66 10.854 11.687 10.043 1.00 0.00 ATOM 508 O ASN 66 12.969 12.590 12.341 1.00 0.00 ATOM 509 C ASN 66 11.861 13.100 12.382 1.00 0.00 ATOM 510 N PHE 67 10.932 12.804 13.285 1.00 0.00 ATOM 511 CA PHE 67 11.043 11.650 14.166 1.00 0.00 ATOM 512 CB PHE 67 10.558 11.961 15.591 1.00 0.00 ATOM 513 CG PHE 67 11.315 13.044 16.297 1.00 0.00 ATOM 514 CD1 PHE 67 12.687 13.013 16.408 1.00 0.00 ATOM 515 CD2 PHE 67 10.622 14.082 16.896 1.00 0.00 ATOM 516 CE1 PHE 67 13.350 14.037 17.126 1.00 0.00 ATOM 517 CE2 PHE 67 11.281 15.085 17.577 1.00 0.00 ATOM 518 CZ PHE 67 12.620 15.046 17.713 1.00 0.00 ATOM 519 O PHE 67 8.966 10.784 13.384 1.00 0.00 ATOM 520 C PHE 67 10.125 10.542 13.672 1.00 0.00 ATOM 521 N TYR 68 10.599 9.290 13.686 1.00 0.00 ATOM 522 CA TYR 68 9.666 8.170 13.493 1.00 0.00 ATOM 523 CB TYR 68 10.106 7.151 12.446 1.00 0.00 ATOM 524 CG TYR 68 10.952 5.994 12.938 1.00 0.00 ATOM 525 CD1 TYR 68 10.430 4.697 13.023 1.00 0.00 ATOM 526 CD2 TYR 68 12.269 6.177 13.316 1.00 0.00 ATOM 527 CE1 TYR 68 11.209 3.626 13.448 1.00 0.00 ATOM 528 CE2 TYR 68 13.050 5.108 13.744 1.00 0.00 ATOM 529 CZ TYR 68 12.506 3.858 13.821 1.00 0.00 ATOM 530 OH TYR 68 13.288 2.816 14.235 1.00 0.00 ATOM 531 O TYR 68 8.305 6.718 14.757 1.00 0.00 ATOM 532 C TYR 68 9.263 7.473 14.773 1.00 0.00 ATOM 533 N GLN 69 9.957 7.762 15.878 1.00 0.00 ATOM 534 CA GLN 69 9.529 7.299 17.203 1.00 0.00 ATOM 535 CB GLN 69 10.356 6.098 17.706 1.00 0.00 ATOM 536 CG GLN 69 10.326 4.905 16.801 1.00 0.00 ATOM 537 CD GLN 69 11.230 3.798 17.266 1.00 0.00 ATOM 538 OE1 GLN 69 12.260 4.036 17.891 1.00 0.00 ATOM 539 NE2 GLN 69 10.869 2.579 16.921 1.00 0.00 ATOM 540 O GLN 69 10.587 9.242 18.058 1.00 0.00 ATOM 541 C GLN 69 9.675 8.446 18.175 1.00 0.00 ATOM 542 N TRP 70 8.772 8.505 19.145 1.00 0.00 ATOM 543 CA TRP 70 8.787 9.555 20.148 1.00 0.00 ATOM 544 CB TRP 70 8.066 10.832 19.650 1.00 0.00 ATOM 545 CG TRP 70 6.681 10.570 19.153 1.00 0.00 ATOM 546 CD1 TRP 70 5.516 10.642 19.875 1.00 0.00 ATOM 547 CD2 TRP 70 6.300 10.158 17.835 1.00 0.00 ATOM 548 CE2 TRP 70 4.904 9.990 17.834 1.00 0.00 ATOM 549 CE3 TRP 70 7.000 9.940 16.646 1.00 0.00 ATOM 550 NE1 TRP 70 4.454 10.291 19.090 1.00 0.00 ATOM 551 CZ2 TRP 70 4.197 9.610 16.706 1.00 0.00 ATOM 552 CZ3 TRP 70 6.297 9.538 15.521 1.00 0.00 ATOM 553 CH2 TRP 70 4.910 9.378 15.565 1.00 0.00 ATOM 554 O TRP 70 7.028 8.359 21.286 1.00 0.00 ATOM 555 C TRP 70 8.103 8.953 21.376 1.00 0.00 ATOM 556 N GLN 71 8.767 9.083 22.517 1.00 0.00 ATOM 557 CA GLN 71 8.270 8.520 23.774 1.00 0.00 ATOM 558 CB GLN 71 8.951 7.188 24.055 1.00 0.00 ATOM 559 CG GLN 71 8.570 6.046 23.100 1.00 0.00 ATOM 560 CD GLN 71 7.121 5.606 23.240 1.00 0.00 ATOM 561 OE1 GLN 71 6.488 5.808 24.274 1.00 0.00 ATOM 562 NE2 GLN 71 6.587 5.000 22.188 1.00 0.00 ATOM 563 O GLN 71 9.764 9.736 25.221 1.00 0.00 ATOM 564 C GLN 71 8.597 9.540 24.861 1.00 0.00 ATOM 565 N HIS 72 7.558 10.200 25.365 1.00 0.00 ATOM 566 CA HIS 72 7.744 11.301 26.302 1.00 0.00 ATOM 567 CB HIS 72 6.405 11.893 26.733 1.00 0.00 ATOM 568 CG HIS 72 6.538 13.193 27.466 1.00 0.00 ATOM 569 CD2 HIS 72 6.770 13.453 28.773 1.00 0.00 ATOM 570 ND1 HIS 72 6.462 14.418 26.838 1.00 0.00 ATOM 571 CE1 HIS 72 6.646 15.376 27.730 1.00 0.00 ATOM 572 NE2 HIS 72 6.829 14.817 28.913 1.00 0.00 ATOM 573 O HIS 72 8.223 9.781 28.112 1.00 0.00 ATOM 574 C HIS 72 8.531 10.835 27.530 1.00 0.00 ATOM 575 N GLY 73 9.545 11.614 27.914 1.00 0.00 ATOM 576 CA GLY 73 10.368 11.292 29.070 1.00 0.00 ATOM 577 O GLY 73 12.163 9.888 29.710 1.00 0.00 ATOM 578 C GLY 73 11.435 10.258 28.809 1.00 0.00 ATOM 579 N ASP 74 11.570 9.803 27.564 1.00 0.00 ATOM 580 CA ASP 74 12.355 8.624 27.289 1.00 0.00 ATOM 581 CB ASP 74 11.399 7.443 27.046 1.00 0.00 ATOM 582 CG ASP 74 12.077 6.109 27.082 1.00 0.00 ATOM 583 OD1 ASP 74 13.315 6.057 27.178 1.00 0.00 ATOM 584 OD2 ASP 74 11.351 5.093 26.970 1.00 0.00 ATOM 585 O ASP 74 14.499 9.213 26.361 1.00 0.00 ATOM 586 C ASP 74 13.322 8.910 26.126 1.00 0.00 ATOM 587 N PHE 75 12.824 8.844 24.892 1.00 0.00 ATOM 588 CA PHE 75 13.675 9.023 23.747 1.00 0.00 ATOM 589 CB PHE 75 14.415 7.724 23.403 1.00 0.00 ATOM 590 CG PHE 75 13.527 6.650 22.818 1.00 0.00 ATOM 591 CD1 PHE 75 13.366 6.530 21.441 1.00 0.00 ATOM 592 CD2 PHE 75 12.839 5.787 23.639 1.00 0.00 ATOM 593 CE1 PHE 75 12.545 5.570 20.906 1.00 0.00 ATOM 594 CE2 PHE 75 11.999 4.823 23.109 1.00 0.00 ATOM 595 CZ PHE 75 11.853 4.713 21.742 1.00 0.00 ATOM 596 O PHE 75 11.637 9.317 22.548 1.00 0.00 ATOM 597 C PHE 75 12.850 9.463 22.558 1.00 0.00 ATOM 598 N CYS 76 13.551 10.004 21.560 1.00 0.00 ATOM 599 CA CYS 76 13.021 10.103 20.199 1.00 0.00 ATOM 600 CB CYS 76 12.819 11.551 19.775 1.00 0.00 ATOM 601 SG CYS 76 11.586 12.399 20.772 1.00 0.00 ATOM 602 O CYS 76 15.195 9.245 19.609 1.00 0.00 ATOM 603 C CYS 76 14.017 9.433 19.261 1.00 0.00 ATOM 604 N ALA 77 13.535 9.041 18.092 1.00 0.00 ATOM 605 CA ALA 77 14.367 8.411 17.071 1.00 0.00 ATOM 606 CB ALA 77 13.987 6.933 16.888 1.00 0.00 ATOM 607 O ALA 77 13.083 9.414 15.321 1.00 0.00 ATOM 608 C ALA 77 14.200 9.150 15.767 1.00 0.00 ATOM 609 N LEU 78 15.326 9.493 15.170 1.00 0.00 ATOM 610 CA LEU 78 15.350 10.132 13.862 1.00 0.00 ATOM 611 CB LEU 78 16.792 10.354 13.437 1.00 0.00 ATOM 612 CG LEU 78 16.958 11.059 12.110 1.00 0.00 ATOM 613 CD1 LEU 78 16.611 12.521 12.240 1.00 0.00 ATOM 614 CD2 LEU 78 18.401 10.859 11.624 1.00 0.00 ATOM 615 O LEU 78 14.882 8.106 12.685 1.00 0.00 ATOM 616 C LEU 78 14.630 9.291 12.826 1.00 0.00 ATOM 617 N GLY 79 13.714 9.919 12.111 1.00 0.00 ATOM 618 CA GLY 79 13.007 9.282 10.999 1.00 0.00 ATOM 619 O GLY 79 14.856 9.145 9.489 1.00 0.00 ATOM 620 C GLY 79 13.714 9.571 9.707 1.00 0.00 ATOM 621 N ASN 80 13.026 10.230 8.794 1.00 0.00 ATOM 622 CA ASN 80 13.619 10.629 7.536 1.00 0.00 ATOM 623 CB ASN 80 12.515 11.251 6.650 1.00 0.00 ATOM 624 CG ASN 80 11.330 10.335 6.424 1.00 0.00 ATOM 625 ND2 ASN 80 11.578 9.140 5.885 1.00 0.00 ATOM 626 OD1 ASN 80 10.203 10.693 6.746 1.00 0.00 ATOM 627 O ASN 80 14.558 12.568 8.596 1.00 0.00 ATOM 628 C ASN 80 14.699 11.694 7.754 1.00 0.00 ATOM 629 N MET 81 15.793 11.607 7.021 1.00 0.00 ATOM 630 CA MET 81 16.815 12.650 6.938 1.00 0.00 ATOM 631 CB MET 81 18.058 12.309 7.762 1.00 0.00 ATOM 632 CG MET 81 19.223 13.300 7.509 1.00 0.00 ATOM 633 SD MET 81 18.877 15.165 7.981 1.00 0.00 ATOM 634 CE MET 81 19.152 14.872 9.370 1.00 0.00 ATOM 635 O MET 81 17.695 11.749 4.908 1.00 0.00 ATOM 636 C MET 81 17.196 12.724 5.465 1.00 0.00 ATOM 637 N MET 82 16.942 13.877 4.857 1.00 0.00 ATOM 638 CA MET 82 17.133 14.068 3.432 1.00 0.00 ATOM 639 CB MET 82 15.777 14.032 2.718 1.00 0.00 ATOM 640 CG MET 82 14.812 12.909 3.131 1.00 0.00 ATOM 641 SD MET 82 13.438 12.679 1.761 1.00 0.00 ATOM 642 CE MET 82 12.387 11.301 2.761 1.00 0.00 ATOM 643 O MET 82 17.468 16.394 3.853 1.00 0.00 ATOM 644 C MET 82 17.820 15.415 3.211 1.00 0.00 ATOM 645 N VAL 83 18.797 15.456 2.312 1.00 0.00 ATOM 646 CA VAL 83 19.514 16.688 2.013 1.00 0.00 ATOM 647 CB VAL 83 20.933 16.675 2.675 1.00 0.00 ATOM 648 CG1 VAL 83 21.752 17.928 2.309 1.00 0.00 ATOM 649 CG2 VAL 83 20.790 16.599 4.181 1.00 0.00 ATOM 650 O VAL 83 19.963 15.882 -0.205 1.00 0.00 ATOM 651 C VAL 83 19.642 16.839 0.503 1.00 0.00 ATOM 652 N ALA 84 19.437 18.058 0.024 1.00 0.00 ATOM 653 CA ALA 84 19.591 18.352 -1.383 1.00 0.00 ATOM 654 CB ALA 84 19.357 19.833 -1.574 1.00 0.00 ATOM 655 O ALA 84 21.974 18.369 -1.211 1.00 0.00 ATOM 656 C ALA 84 21.002 18.012 -1.856 1.00 0.00 ATOM 657 N PRO 85 21.111 17.351 -3.004 1.00 0.00 ATOM 658 CA PRO 85 22.418 16.943 -3.542 1.00 0.00 ATOM 659 CB PRO 85 22.090 16.565 -4.993 1.00 0.00 ATOM 660 CG PRO 85 20.654 16.084 -4.925 1.00 0.00 ATOM 661 CD PRO 85 20.013 17.052 -3.941 1.00 0.00 ATOM 662 O PRO 85 24.595 17.826 -3.060 1.00 0.00 ATOM 663 C PRO 85 23.473 18.054 -3.511 1.00 0.00 ATOM 664 N ALA 86 23.105 19.240 -3.986 1.00 0.00 ATOM 665 CA ALA 86 24.030 20.354 -4.117 1.00 0.00 ATOM 666 CB ALA 86 23.362 21.512 -4.856 1.00 0.00 ATOM 667 O ALA 86 25.580 21.511 -2.695 1.00 0.00 ATOM 668 C ALA 86 24.550 20.830 -2.767 1.00 0.00 ATOM 669 N ALA 87 23.833 20.483 -1.697 1.00 0.00 ATOM 670 CA ALA 87 24.123 20.978 -0.359 1.00 0.00 ATOM 671 CB ALA 87 22.871 21.502 0.292 1.00 0.00 ATOM 672 O ALA 87 25.025 20.198 1.698 1.00 0.00 ATOM 673 C ALA 87 24.757 19.930 0.532 1.00 0.00 ATOM 674 N ARG 88 25.032 18.746 0.016 1.00 0.00 ATOM 675 CA ARG 88 25.607 17.714 0.872 1.00 0.00 ATOM 676 CB ARG 88 25.473 16.373 0.210 1.00 0.00 ATOM 677 CG ARG 88 24.019 15.941 0.178 1.00 0.00 ATOM 678 CD ARG 88 23.839 14.680 -0.525 1.00 0.00 ATOM 679 NE ARG 88 22.432 14.415 -0.815 1.00 0.00 ATOM 680 CZ ARG 88 22.041 13.383 -1.539 1.00 0.00 ATOM 681 NH1 ARG 88 22.948 12.548 -2.014 1.00 0.00 ATOM 682 NH2 ARG 88 20.764 13.205 -1.805 1.00 0.00 ATOM 683 O ARG 88 27.810 18.569 0.512 1.00 0.00 ATOM 684 C ARG 88 27.043 17.996 1.274 1.00 0.00 ATOM 685 N GLY 89 27.393 17.605 2.492 1.00 0.00 ATOM 686 CA GLY 89 28.726 17.893 2.993 1.00 0.00 ATOM 687 O GLY 89 30.060 19.650 3.874 1.00 0.00 ATOM 688 C GLY 89 28.930 19.292 3.524 1.00 0.00 ATOM 689 N LEU 90 27.858 20.085 3.601 1.00 0.00 ATOM 690 CA LEU 90 27.953 21.505 3.980 1.00 0.00 ATOM 691 CB LEU 90 27.303 22.393 2.921 1.00 0.00 ATOM 692 CG LEU 90 27.788 22.187 1.491 1.00 0.00 ATOM 693 CD1 LEU 90 27.156 23.237 0.600 1.00 0.00 ATOM 694 CD2 LEU 90 29.326 22.244 1.380 1.00 0.00 ATOM 695 O LEU 90 27.194 23.016 5.705 1.00 0.00 ATOM 696 C LEU 90 27.346 21.847 5.340 1.00 0.00 ATOM 697 N GLY 91 26.986 20.841 6.103 1.00 0.00 ATOM 698 CA GLY 91 26.513 21.064 7.454 1.00 0.00 ATOM 699 O GLY 91 24.518 21.392 8.671 1.00 0.00 ATOM 700 C GLY 91 25.005 21.095 7.589 1.00 0.00 ATOM 701 N VAL 92 24.266 20.771 6.532 1.00 0.00 ATOM 702 CA VAL 92 22.802 20.799 6.618 1.00 0.00 ATOM 703 CB VAL 92 22.162 20.711 5.223 1.00 0.00 ATOM 704 CG1 VAL 92 20.634 20.646 5.347 1.00 0.00 ATOM 705 CG2 VAL 92 22.585 21.910 4.363 1.00 0.00 ATOM 706 O VAL 92 21.445 19.935 8.412 1.00 0.00 ATOM 707 C VAL 92 22.272 19.681 7.539 1.00 0.00 ATOM 708 N ALA 93 22.746 18.459 7.356 1.00 0.00 ATOM 709 CA ALA 93 22.359 17.364 8.254 1.00 0.00 ATOM 710 CB ALA 93 22.870 16.039 7.751 1.00 0.00 ATOM 711 O ALA 93 22.082 17.420 10.621 1.00 0.00 ATOM 712 C ALA 93 22.837 17.633 9.686 1.00 0.00 ATOM 713 N ARG 94 24.070 18.100 9.874 1.00 0.00 ATOM 714 CA ARG 94 24.545 18.457 11.221 1.00 0.00 ATOM 715 CB ARG 94 25.975 19.021 11.177 1.00 0.00 ATOM 716 CG ARG 94 26.448 19.670 12.480 1.00 0.00 ATOM 717 CD ARG 94 27.847 20.257 12.352 1.00 0.00 ATOM 718 NE ARG 94 28.859 19.219 12.180 1.00 0.00 ATOM 719 CZ ARG 94 29.648 18.740 13.145 1.00 0.00 ATOM 720 NH1 ARG 94 29.567 19.191 14.397 1.00 0.00 ATOM 721 NH2 ARG 94 30.535 17.795 12.850 1.00 0.00 ATOM 722 O ARG 94 23.192 19.333 13.021 1.00 0.00 ATOM 723 C ARG 94 23.597 19.477 11.856 1.00 0.00 ATOM 724 N TYR 95 23.258 20.521 11.105 1.00 0.00 ATOM 725 CA TYR 95 22.362 21.540 11.623 1.00 0.00 ATOM 726 CB TYR 95 22.177 22.607 10.536 1.00 0.00 ATOM 727 CG TYR 95 21.165 23.672 10.879 1.00 0.00 ATOM 728 CD1 TYR 95 21.462 24.695 11.759 1.00 0.00 ATOM 729 CD2 TYR 95 19.898 23.663 10.307 1.00 0.00 ATOM 730 CE1 TYR 95 20.523 25.686 12.075 1.00 0.00 ATOM 731 CE2 TYR 95 18.965 24.636 10.618 1.00 0.00 ATOM 732 CZ TYR 95 19.286 25.646 11.491 1.00 0.00 ATOM 733 OH TYR 95 18.353 26.612 11.773 1.00 0.00 ATOM 734 O TYR 95 20.504 21.198 13.113 1.00 0.00 ATOM 735 C TYR 95 21.014 20.946 12.016 1.00 0.00 ATOM 736 N LEU 96 20.416 20.172 11.126 1.00 0.00 ATOM 737 CA LEU 96 19.114 19.556 11.421 1.00 0.00 ATOM 738 CB LEU 96 18.552 18.841 10.192 1.00 0.00 ATOM 739 CG LEU 96 17.855 19.779 9.217 1.00 0.00 ATOM 740 CD1 LEU 96 17.488 19.064 7.928 1.00 0.00 ATOM 741 CD2 LEU 96 16.600 20.399 9.875 1.00 0.00 ATOM 742 O LEU 96 18.168 18.518 13.343 1.00 0.00 ATOM 743 C LEU 96 19.148 18.596 12.585 1.00 0.00 ATOM 744 N ILE 97 20.214 17.819 12.722 1.00 0.00 ATOM 745 CA ILE 97 20.308 16.951 13.895 1.00 0.00 ATOM 746 CB ILE 97 21.544 16.031 13.839 1.00 0.00 ATOM 747 CG1 ILE 97 21.398 15.000 12.696 1.00 0.00 ATOM 748 CG2 ILE 97 21.755 15.310 15.182 1.00 0.00 ATOM 749 CD1 ILE 97 20.344 13.970 12.925 1.00 0.00 ATOM 750 O ILE 97 19.594 17.384 16.129 1.00 0.00 ATOM 751 C ILE 97 20.269 17.772 15.185 1.00 0.00 ATOM 752 N GLY 98 20.955 18.908 15.207 1.00 0.00 ATOM 753 CA GLY 98 20.916 19.782 16.381 1.00 0.00 ATOM 754 O GLY 98 19.071 20.364 17.807 1.00 0.00 ATOM 755 C GLY 98 19.521 20.296 16.660 1.00 0.00 ATOM 756 N VAL 99 18.807 20.648 15.601 1.00 0.00 ATOM 757 CA VAL 99 17.430 21.126 15.757 1.00 0.00 ATOM 758 CB VAL 99 16.889 21.638 14.396 1.00 0.00 ATOM 759 CG1 VAL 99 15.388 21.905 14.458 1.00 0.00 ATOM 760 CG2 VAL 99 17.657 22.909 13.970 1.00 0.00 ATOM 761 O VAL 99 15.716 20.232 17.198 1.00 0.00 ATOM 762 C VAL 99 16.526 20.012 16.289 1.00 0.00 ATOM 763 N MET 100 16.694 18.797 15.771 1.00 0.00 ATOM 764 CA MET 100 15.874 17.695 16.219 1.00 0.00 ATOM 765 CB MET 100 16.030 16.498 15.293 1.00 0.00 ATOM 766 CG MET 100 15.640 16.755 13.805 1.00 0.00 ATOM 767 SD MET 100 13.891 17.600 13.568 1.00 0.00 ATOM 768 CE MET 100 12.960 16.117 14.106 1.00 0.00 ATOM 769 O MET 100 15.333 16.925 18.410 1.00 0.00 ATOM 770 C MET 100 16.220 17.303 17.666 1.00 0.00 ATOM 771 N GLU 101 17.499 17.337 18.047 1.00 0.00 ATOM 772 CA GLU 101 17.891 17.116 19.448 1.00 0.00 ATOM 773 CB GLU 101 19.408 17.206 19.607 1.00 0.00 ATOM 774 CG GLU 101 20.184 16.040 18.988 1.00 0.00 ATOM 775 CD GLU 101 21.668 16.249 18.924 1.00 0.00 ATOM 776 OE1 GLU 101 22.150 17.379 19.105 1.00 0.00 ATOM 777 OE2 GLU 101 22.383 15.295 18.614 1.00 0.00 ATOM 778 O GLU 101 16.701 17.692 21.444 1.00 0.00 ATOM 779 C GLU 101 17.204 18.120 20.386 1.00 0.00 ATOM 780 N ASN 102 17.204 19.428 20.045 1.00 0.00 ATOM 781 CA ASN 102 16.516 20.394 20.854 1.00 0.00 ATOM 782 CB ASN 102 16.787 21.788 20.327 1.00 0.00 ATOM 783 CG ASN 102 18.203 22.283 20.620 1.00 0.00 ATOM 784 ND2 ASN 102 18.628 23.301 19.885 1.00 0.00 ATOM 785 OD1 ASN 102 18.896 21.763 21.487 1.00 0.00 ATOM 786 O ASN 102 14.429 20.232 21.964 1.00 0.00 ATOM 787 C ASN 102 15.020 20.134 20.910 1.00 0.00 ATOM 788 N LEU 103 14.388 19.777 19.796 1.00 0.00 ATOM 789 CA LEU 103 12.981 19.491 19.818 1.00 0.00 ATOM 790 CB LEU 103 12.502 19.180 18.408 1.00 0.00 ATOM 791 CG LEU 103 11.005 19.012 18.176 1.00 0.00 ATOM 792 CD1 LEU 103 10.267 20.303 18.525 1.00 0.00 ATOM 793 CD2 LEU 103 10.739 18.635 16.748 1.00 0.00 ATOM 794 O LEU 103 11.723 18.177 21.468 1.00 0.00 ATOM 795 C LEU 103 12.701 18.217 20.695 1.00 0.00 ATOM 796 N ALA 104 13.526 17.159 20.600 1.00 0.00 ATOM 797 CA ALA 104 13.379 15.991 21.479 1.00 0.00 ATOM 798 CB ALA 104 14.461 14.963 21.152 1.00 0.00 ATOM 799 O ALA 104 12.637 15.940 23.781 1.00 0.00 ATOM 800 C ALA 104 13.447 16.395 22.956 1.00 0.00 ATOM 801 N ARG 105 14.420 17.231 23.287 1.00 0.00 ATOM 802 CA ARG 105 14.573 17.726 24.669 1.00 0.00 ATOM 803 CB ARG 105 15.796 18.627 24.782 1.00 0.00 ATOM 804 CG ARG 105 17.111 17.900 24.807 1.00 0.00 ATOM 805 CD ARG 105 18.238 18.798 25.313 1.00 0.00 ATOM 806 NE ARG 105 18.822 19.569 24.230 1.00 0.00 ATOM 807 CZ ARG 105 19.830 19.153 23.460 1.00 0.00 ATOM 808 NH1 ARG 105 20.403 17.972 23.643 1.00 0.00 ATOM 809 NH2 ARG 105 20.276 19.935 22.502 1.00 0.00 ATOM 810 O ARG 105 12.858 18.319 26.219 1.00 0.00 ATOM 811 C ARG 105 13.382 18.530 25.122 1.00 0.00 ATOM 812 N GLU 106 12.969 19.487 24.300 1.00 0.00 ATOM 813 CA GLU 106 11.944 20.452 24.712 1.00 0.00 ATOM 814 CB GLU 106 11.982 21.687 23.816 1.00 0.00 ATOM 815 CG GLU 106 13.193 22.571 24.057 1.00 0.00 ATOM 816 CD GLU 106 13.370 22.940 25.519 1.00 0.00 ATOM 817 OE1 GLU 106 12.381 23.391 26.138 1.00 0.00 ATOM 818 OE2 GLU 106 14.493 22.770 26.047 1.00 0.00 ATOM 819 O GLU 106 9.848 19.886 25.726 1.00 0.00 ATOM 820 C GLU 106 10.556 19.850 24.703 1.00 0.00 ATOM 821 N GLN 107 10.166 19.279 23.570 1.00 0.00 ATOM 822 CA GLN 107 8.792 18.763 23.416 1.00 0.00 ATOM 823 CB GLN 107 8.361 18.707 21.958 1.00 0.00 ATOM 824 CG GLN 107 6.851 18.907 21.831 1.00 0.00 ATOM 825 CD GLN 107 6.208 18.222 20.638 1.00 0.00 ATOM 826 OE1 GLN 107 6.864 17.898 19.640 1.00 0.00 ATOM 827 NE2 GLN 107 4.898 18.014 20.727 1.00 0.00 ATOM 828 O GLN 107 7.436 17.142 24.561 1.00 0.00 ATOM 829 C GLN 107 8.541 17.401 24.045 1.00 0.00 ATOM 830 N TYR 108 9.545 16.537 24.027 1.00 0.00 ATOM 831 CA TYR 108 9.355 15.177 24.481 1.00 0.00 ATOM 832 CB TYR 108 9.721 14.190 23.356 1.00 0.00 ATOM 833 CG TYR 108 8.763 14.342 22.212 1.00 0.00 ATOM 834 CD1 TYR 108 7.504 13.759 22.264 1.00 0.00 ATOM 835 CD2 TYR 108 9.084 15.121 21.102 1.00 0.00 ATOM 836 CE1 TYR 108 6.587 13.914 21.232 1.00 0.00 ATOM 837 CE2 TYR 108 8.172 15.288 20.067 1.00 0.00 ATOM 838 CZ TYR 108 6.933 14.673 20.137 1.00 0.00 ATOM 839 OH TYR 108 6.024 14.839 19.107 1.00 0.00 ATOM 840 O TYR 108 9.989 13.750 26.253 1.00 0.00 ATOM 841 C TYR 108 10.100 14.861 25.770 1.00 0.00 ATOM 842 N LYS 109 10.859 15.822 26.304 1.00 0.00 ATOM 843 CA LYS 109 11.656 15.610 27.521 1.00 0.00 ATOM 844 CB LYS 109 10.766 15.607 28.783 1.00 0.00 ATOM 845 CG LYS 109 9.771 16.761 28.852 1.00 0.00 ATOM 846 CD LYS 109 10.411 18.141 28.768 1.00 0.00 ATOM 847 CE LYS 109 9.427 19.255 29.147 1.00 0.00 ATOM 848 NZ LYS 109 9.683 20.532 28.433 1.00 0.00 ATOM 849 O LYS 109 12.651 13.563 28.334 1.00 0.00 ATOM 850 C LYS 109 12.492 14.344 27.399 1.00 0.00 ATOM 851 N ALA 110 13.048 14.164 26.200 1.00 0.00 ATOM 852 CA ALA 110 13.843 12.993 25.916 1.00 0.00 ATOM 853 CB ALA 110 14.104 12.919 24.427 1.00 0.00 ATOM 854 O ALA 110 15.802 14.054 26.758 1.00 0.00 ATOM 855 C ALA 110 15.162 13.014 26.656 1.00 0.00 ATOM 856 N ARG 111 15.567 11.848 27.115 1.00 0.00 ATOM 857 CA ARG 111 16.893 11.628 27.633 1.00 0.00 ATOM 858 CB ARG 111 16.909 10.610 28.776 1.00 0.00 ATOM 859 CG ARG 111 16.646 11.165 30.104 1.00 0.00 ATOM 860 CD ARG 111 15.255 11.679 30.203 1.00 0.00 ATOM 861 NE ARG 111 14.912 11.713 31.628 1.00 0.00 ATOM 862 CZ ARG 111 13.789 12.179 32.110 1.00 0.00 ATOM 863 NH1 ARG 111 12.881 12.766 31.326 1.00 0.00 ATOM 864 NH2 ARG 111 13.594 12.072 33.404 1.00 0.00 ATOM 865 O ARG 111 19.014 10.986 26.981 1.00 0.00 ATOM 866 C ARG 111 17.893 11.086 26.677 1.00 0.00 ATOM 867 N LEU 112 17.403 10.697 25.526 1.00 0.00 ATOM 868 CA LEU 112 18.206 9.967 24.573 1.00 0.00 ATOM 869 CB LEU 112 18.042 8.484 24.870 1.00 0.00 ATOM 870 CG LEU 112 18.997 7.541 24.178 1.00 0.00 ATOM 871 CD1 LEU 112 20.380 7.550 24.875 1.00 0.00 ATOM 872 CD2 LEU 112 18.434 6.135 24.127 1.00 0.00 ATOM 873 O LEU 112 16.474 10.334 22.970 1.00 0.00 ATOM 874 C LEU 112 17.679 10.261 23.165 1.00 0.00 ATOM 875 N MET 113 18.578 10.435 22.210 1.00 0.00 ATOM 876 CA MET 113 18.215 10.414 20.804 1.00 0.00 ATOM 877 CB MET 113 18.757 11.635 20.085 1.00 0.00 ATOM 878 CG MET 113 18.383 11.627 18.615 1.00 0.00 ATOM 879 SD MET 113 16.639 12.252 18.299 1.00 0.00 ATOM 880 CE MET 113 17.343 13.812 17.990 1.00 0.00 ATOM 881 O MET 113 19.956 8.862 20.354 1.00 0.00 ATOM 882 C MET 113 18.787 9.167 20.170 1.00 0.00 ATOM 883 N LYS 114 17.930 8.453 19.439 1.00 0.00 ATOM 884 CA LYS 114 18.328 7.277 18.656 1.00 0.00 ATOM 885 CB LYS 114 17.305 6.154 18.816 1.00 0.00 ATOM 886 CG LYS 114 17.111 5.670 20.252 1.00 0.00 ATOM 887 CD LYS 114 16.211 4.456 20.289 1.00 0.00 ATOM 888 CE LYS 114 15.913 4.038 21.735 1.00 0.00 ATOM 889 NZ LYS 114 15.186 2.740 21.791 1.00 0.00 ATOM 890 O LYS 114 17.607 8.355 16.649 1.00 0.00 ATOM 891 C LYS 114 18.467 7.660 17.188 1.00 0.00 ATOM 892 N ILE 115 19.543 7.188 16.556 1.00 0.00 ATOM 893 CA ILE 115 19.739 7.307 15.109 1.00 0.00 ATOM 894 CB ILE 115 20.816 8.343 14.733 1.00 0.00 ATOM 895 CG1 ILE 115 20.381 9.734 15.186 1.00 0.00 ATOM 896 CG2 ILE 115 21.041 8.342 13.235 1.00 0.00 ATOM 897 CD1 ILE 115 21.364 10.842 14.866 1.00 0.00 ATOM 898 O ILE 115 21.151 5.380 15.045 1.00 0.00 ATOM 899 C ILE 115 20.167 5.947 14.577 1.00 0.00 ATOM 900 N SER 116 19.426 5.427 13.600 1.00 0.00 ATOM 901 CA SER 116 19.822 4.239 12.888 1.00 0.00 ATOM 902 CB SER 116 18.634 3.307 12.698 1.00 0.00 ATOM 903 OG SER 116 18.154 2.819 13.930 1.00 0.00 ATOM 904 O SER 116 19.894 5.590 10.918 1.00 0.00 ATOM 905 C SER 116 20.390 4.661 11.544 1.00 0.00 ATOM 906 N CYS 117 21.407 3.948 11.085 1.00 0.00 ATOM 907 CA CYS 117 22.075 4.270 9.833 1.00 0.00 ATOM 908 CB CYS 117 23.332 5.062 10.181 1.00 0.00 ATOM 909 SG CYS 117 24.241 5.743 8.816 1.00 0.00 ATOM 910 O CYS 117 23.068 2.105 9.687 1.00 0.00 ATOM 911 C CYS 117 22.447 2.999 9.103 1.00 0.00 ATOM 912 N PHE 118 22.095 2.916 7.834 1.00 0.00 ATOM 913 CA PHE 118 22.439 1.745 7.039 1.00 0.00 ATOM 914 CB PHE 118 21.656 1.736 5.728 1.00 0.00 ATOM 915 CG PHE 118 20.231 1.365 5.907 1.00 0.00 ATOM 916 CD1 PHE 118 19.867 0.055 6.078 1.00 0.00 ATOM 917 CD2 PHE 118 19.242 2.330 5.902 1.00 0.00 ATOM 918 CE1 PHE 118 18.541 -0.293 6.262 1.00 0.00 ATOM 919 CE2 PHE 118 17.931 1.996 6.055 1.00 0.00 ATOM 920 CZ PHE 118 17.562 0.694 6.234 1.00 0.00 ATOM 921 O PHE 118 24.617 2.718 6.691 1.00 0.00 ATOM 922 C PHE 118 23.934 1.695 6.773 1.00 0.00 ATOM 923 N ASN 119 24.455 0.481 6.694 1.00 0.00 ATOM 924 CA ASN 119 25.892 0.301 6.605 1.00 0.00 ATOM 925 CB ASN 119 26.260 -1.184 6.648 1.00 0.00 ATOM 926 CG ASN 119 25.852 -1.928 5.408 1.00 0.00 ATOM 927 ND2 ASN 119 26.803 -2.107 4.498 1.00 0.00 ATOM 928 OD1 ASN 119 24.705 -2.364 5.275 1.00 0.00 ATOM 929 O ASN 119 27.678 1.431 5.508 1.00 0.00 ATOM 930 C ASN 119 26.535 0.984 5.413 1.00 0.00 ATOM 931 N ALA 120 25.798 1.111 4.307 1.00 0.00 ATOM 932 CA ALA 120 26.373 1.733 3.125 1.00 0.00 ATOM 933 CB ALA 120 25.486 1.477 1.912 1.00 0.00 ATOM 934 O ALA 120 27.381 3.841 2.542 1.00 0.00 ATOM 935 C ALA 120 26.598 3.236 3.288 1.00 0.00 ATOM 936 N ASN 121 25.907 3.846 4.247 1.00 0.00 ATOM 937 CA ASN 121 25.964 5.284 4.433 1.00 0.00 ATOM 938 CB ASN 121 24.612 5.775 4.957 1.00 0.00 ATOM 939 CG ASN 121 24.530 7.284 5.075 1.00 0.00 ATOM 940 ND2 ASN 121 23.439 7.776 5.659 1.00 0.00 ATOM 941 OD1 ASN 121 25.435 7.997 4.658 1.00 0.00 ATOM 942 O ASN 121 26.998 6.051 6.471 1.00 0.00 ATOM 943 C ASN 121 27.149 5.688 5.326 1.00 0.00 ATOM 944 N ALA 122 28.353 5.602 4.763 1.00 0.00 ATOM 945 CA ALA 122 29.568 5.939 5.487 1.00 0.00 ATOM 946 CB ALA 122 30.777 5.713 4.623 1.00 0.00 ATOM 947 O ALA 122 29.948 7.703 7.067 1.00 0.00 ATOM 948 C ALA 122 29.533 7.390 5.966 1.00 0.00 ATOM 949 N ALA 123 29.045 8.285 5.122 1.00 0.00 ATOM 950 CA ALA 123 29.058 9.681 5.462 1.00 0.00 ATOM 951 CB ALA 123 28.598 10.509 4.271 1.00 0.00 ATOM 952 O ALA 123 28.565 10.679 7.608 1.00 0.00 ATOM 953 C ALA 123 28.186 9.936 6.697 1.00 0.00 ATOM 954 N GLY 124 27.053 9.241 6.757 1.00 0.00 ATOM 955 CA GLY 124 26.172 9.304 7.932 1.00 0.00 ATOM 956 O GLY 124 26.859 9.379 10.208 1.00 0.00 ATOM 957 C GLY 124 26.843 8.758 9.170 1.00 0.00 ATOM 958 N LEU 125 27.414 7.573 9.053 1.00 0.00 ATOM 959 CA LEU 125 28.083 6.953 10.197 1.00 0.00 ATOM 960 CB LEU 125 28.709 5.617 9.803 1.00 0.00 ATOM 961 CG LEU 125 27.729 4.497 9.460 1.00 0.00 ATOM 962 CD1 LEU 125 28.465 3.333 8.834 1.00 0.00 ATOM 963 CD2 LEU 125 26.916 3.994 10.666 1.00 0.00 ATOM 964 O LEU 125 29.271 8.013 11.989 1.00 0.00 ATOM 965 C LEU 125 29.146 7.873 10.768 1.00 0.00 ATOM 966 N LEU 126 29.949 8.472 9.884 1.00 0.00 ATOM 967 CA LEU 126 31.014 9.380 10.307 1.00 0.00 ATOM 968 CB LEU 126 31.994 9.652 9.162 1.00 0.00 ATOM 969 CG LEU 126 32.744 8.394 8.694 1.00 0.00 ATOM 970 CD1 LEU 126 33.465 8.742 7.391 1.00 0.00 ATOM 971 CD2 LEU 126 33.691 7.872 9.782 1.00 0.00 ATOM 972 O LEU 126 31.020 11.148 11.925 1.00 0.00 ATOM 973 C LEU 126 30.493 10.678 10.915 1.00 0.00 ATOM 974 N LEU 127 29.453 11.243 10.327 1.00 0.00 ATOM 975 CA LEU 127 28.857 12.475 10.877 1.00 0.00 ATOM 976 CB LEU 127 27.766 13.011 9.942 1.00 0.00 ATOM 977 CG LEU 127 26.927 14.163 10.519 1.00 0.00 ATOM 978 CD1 LEU 127 27.778 15.386 10.799 1.00 0.00 ATOM 979 CD2 LEU 127 25.735 14.478 9.633 1.00 0.00 ATOM 980 O LEU 127 28.517 12.956 13.221 1.00 0.00 ATOM 981 C LEU 127 28.257 12.235 12.264 1.00 0.00 ATOM 982 N TYR 128 27.431 11.208 12.386 1.00 0.00 ATOM 983 CA TYR 128 26.815 10.934 13.681 1.00 0.00 ATOM 984 CB TYR 128 25.802 9.786 13.599 1.00 0.00 ATOM 985 CG TYR 128 24.739 9.944 12.541 1.00 0.00 ATOM 986 CD1 TYR 128 24.111 11.155 12.325 1.00 0.00 ATOM 987 CD2 TYR 128 24.367 8.850 11.768 1.00 0.00 ATOM 988 CE1 TYR 128 23.122 11.265 11.312 1.00 0.00 ATOM 989 CE2 TYR 128 23.422 8.936 10.803 1.00 0.00 ATOM 990 CZ TYR 128 22.787 10.144 10.585 1.00 0.00 ATOM 991 OH TYR 128 21.806 10.215 9.619 1.00 0.00 ATOM 992 O TYR 128 27.705 11.087 15.893 1.00 0.00 ATOM 993 C TYR 128 27.867 10.670 14.754 1.00 0.00 ATOM 994 N THR 129 28.980 10.037 14.376 1.00 0.00 ATOM 995 CA THR 129 30.086 9.825 15.291 1.00 0.00 ATOM 996 CB THR 129 31.156 8.897 14.661 1.00 0.00 ATOM 997 CG2 THR 129 32.336 8.734 15.579 1.00 0.00 ATOM 998 OG1 THR 129 30.557 7.625 14.414 1.00 0.00 ATOM 999 O THR 129 30.848 11.405 16.929 1.00 0.00 ATOM 1000 C THR 129 30.643 11.185 15.734 1.00 0.00 ATOM 1001 N GLN 130 30.882 12.082 14.783 1.00 0.00 ATOM 1002 CA GLN 130 31.369 13.430 15.118 1.00 0.00 ATOM 1003 CB GLN 130 31.523 14.269 13.845 1.00 0.00 ATOM 1004 CG GLN 130 32.670 13.865 12.939 1.00 0.00 ATOM 1005 CD GLN 130 32.612 14.525 11.564 1.00 0.00 ATOM 1006 OE1 GLN 130 31.610 15.144 11.192 1.00 0.00 ATOM 1007 NE2 GLN 130 33.691 14.377 10.790 1.00 0.00 ATOM 1008 O GLN 130 30.866 14.939 16.952 1.00 0.00 ATOM 1009 C GLN 130 30.423 14.142 16.096 1.00 0.00 ATOM 1010 N LEU 131 29.134 13.854 15.982 1.00 0.00 ATOM 1011 CA LEU 131 28.132 14.503 16.842 1.00 0.00 ATOM 1012 CB LEU 131 26.797 14.619 16.095 1.00 0.00 ATOM 1013 CG LEU 131 26.835 15.440 14.811 1.00 0.00 ATOM 1014 CD1 LEU 131 25.446 15.522 14.193 1.00 0.00 ATOM 1015 CD2 LEU 131 27.420 16.813 15.048 1.00 0.00 ATOM 1016 O LEU 131 27.055 14.216 18.972 1.00 0.00 ATOM 1017 C LEU 131 27.929 13.819 18.195 1.00 0.00 ATOM 1018 N GLY 132 28.726 12.794 18.479 1.00 0.00 ATOM 1019 CA GLY 132 28.707 12.134 19.777 1.00 0.00 ATOM 1020 O GLY 132 27.588 10.461 20.997 1.00 0.00 ATOM 1021 C GLY 132 27.807 10.936 19.902 1.00 0.00 ATOM 1022 N TYR 133 27.278 10.442 18.781 1.00 0.00 ATOM 1023 CA TYR 133 26.488 9.223 18.776 1.00 0.00 ATOM 1024 CB TYR 133 25.579 9.133 17.530 1.00 0.00 ATOM 1025 CG TYR 133 24.447 10.135 17.610 1.00 0.00 ATOM 1026 CD1 TYR 133 23.174 9.749 18.059 1.00 0.00 ATOM 1027 CD2 TYR 133 24.665 11.470 17.318 1.00 0.00 ATOM 1028 CE1 TYR 133 22.170 10.663 18.215 1.00 0.00 ATOM 1029 CE2 TYR 133 23.636 12.392 17.468 1.00 0.00 ATOM 1030 CZ TYR 133 22.403 11.971 17.921 1.00 0.00 ATOM 1031 OH TYR 133 21.392 12.879 18.107 1.00 0.00 ATOM 1032 O TYR 133 28.542 8.078 18.261 1.00 0.00 ATOM 1033 C TYR 133 27.438 8.035 18.838 1.00 0.00 ATOM 1034 N GLN 134 27.000 7.006 19.550 1.00 0.00 ATOM 1035 CA GLN 134 27.790 5.790 19.702 1.00 0.00 ATOM 1036 CB GLN 134 28.131 5.538 21.160 1.00 0.00 ATOM 1037 CG GLN 134 29.196 6.408 21.710 1.00 0.00 ATOM 1038 CD GLN 134 29.399 6.122 23.162 1.00 0.00 ATOM 1039 OE1 GLN 134 29.160 6.988 23.989 1.00 0.00 ATOM 1040 NE2 GLN 134 29.799 4.885 23.498 1.00 0.00 ATOM 1041 O GLN 134 25.786 4.564 19.399 1.00 0.00 ATOM 1042 C GLN 134 26.982 4.620 19.201 1.00 0.00 ATOM 1043 N PRO 135 27.644 3.643 18.599 1.00 0.00 ATOM 1044 CA PRO 135 26.922 2.487 18.128 1.00 0.00 ATOM 1045 CB PRO 135 27.922 1.831 17.171 1.00 0.00 ATOM 1046 CG PRO 135 29.269 2.130 17.758 1.00 0.00 ATOM 1047 CD PRO 135 29.093 3.536 18.343 1.00 0.00 ATOM 1048 O PRO 135 27.367 1.335 20.164 1.00 0.00 ATOM 1049 C PRO 135 26.547 1.565 19.285 1.00 0.00 ATOM 1050 N ARG 136 25.322 1.046 19.269 1.00 0.00 ATOM 1051 CA ARG 136 24.835 0.155 20.307 1.00 0.00 ATOM 1052 CB ARG 136 23.572 0.753 20.939 1.00 0.00 ATOM 1053 CG ARG 136 23.848 2.075 21.636 1.00 0.00 ATOM 1054 CD ARG 136 24.878 1.955 22.753 1.00 0.00 ATOM 1055 NE ARG 136 25.113 3.238 23.399 1.00 0.00 ATOM 1056 CZ ARG 136 26.062 3.443 24.298 1.00 0.00 ATOM 1057 NH1 ARG 136 26.841 2.438 24.673 1.00 0.00 ATOM 1058 NH2 ARG 136 26.236 4.642 24.833 1.00 0.00 ATOM 1059 O ARG 136 24.847 -2.206 20.516 1.00 0.00 ATOM 1060 C ARG 136 24.561 -1.245 19.813 1.00 0.00 ATOM 1061 N ALA 137 24.009 -1.374 18.611 1.00 0.00 ATOM 1062 CA ALA 137 23.632 -2.680 18.090 1.00 0.00 ATOM 1063 CB ALA 137 22.279 -3.127 18.594 1.00 0.00 ATOM 1064 O ALA 137 23.650 -1.550 16.000 1.00 0.00 ATOM 1065 C ALA 137 23.628 -2.620 16.590 1.00 0.00 ATOM 1066 N ILE 138 23.616 -3.792 15.980 1.00 0.00 ATOM 1067 CA ILE 138 23.512 -3.959 14.538 1.00 0.00 ATOM 1068 CB ILE 138 24.813 -4.509 13.948 1.00 0.00 ATOM 1069 CG1 ILE 138 25.989 -3.603 14.335 1.00 0.00 ATOM 1070 CG2 ILE 138 24.655 -4.687 12.418 1.00 0.00 ATOM 1071 CD1 ILE 138 27.290 -3.988 13.668 1.00 0.00 ATOM 1072 O ILE 138 22.331 -6.023 14.752 1.00 0.00 ATOM 1073 C ILE 138 22.355 -4.899 14.252 1.00 0.00 ATOM 1074 N ALA 139 21.398 -4.435 13.446 1.00 0.00 ATOM 1075 CA ALA 139 20.222 -5.198 13.097 1.00 0.00 ATOM 1076 CB ALA 139 18.971 -4.375 13.363 1.00 0.00 ATOM 1077 O ALA 139 20.967 -4.894 10.851 1.00 0.00 ATOM 1078 C ALA 139 20.300 -5.559 11.628 1.00 0.00 ATOM 1079 N GLU 140 19.613 -6.622 11.236 1.00 0.00 ATOM 1080 CA GLU 140 19.550 -7.032 9.844 1.00 0.00 ATOM 1081 CB GLU 140 19.505 -8.561 9.757 1.00 0.00 ATOM 1082 CG GLU 140 19.391 -9.058 8.330 1.00 0.00 ATOM 1083 CD GLU 140 19.564 -10.544 8.222 1.00 0.00 ATOM 1084 OE1 GLU 140 18.554 -11.257 8.221 1.00 0.00 ATOM 1085 OE2 GLU 140 20.723 -10.996 8.184 1.00 0.00 ATOM 1086 O GLU 140 17.224 -6.447 9.714 1.00 0.00 ATOM 1087 C GLU 140 18.324 -6.429 9.168 1.00 0.00 ATOM 1088 N ARG 141 18.526 -5.920 7.961 1.00 0.00 ATOM 1089 CA ARG 141 17.419 -5.478 7.117 1.00 0.00 ATOM 1090 CB ARG 141 17.268 -3.938 7.128 1.00 0.00 ATOM 1091 CG ARG 141 17.011 -3.294 8.512 1.00 0.00 ATOM 1092 CD ARG 141 15.586 -3.550 8.980 1.00 0.00 ATOM 1093 NE ARG 141 15.292 -2.890 10.255 1.00 0.00 ATOM 1094 CZ ARG 141 15.421 -3.467 11.451 1.00 0.00 ATOM 1095 NH1 ARG 141 15.836 -4.713 11.588 1.00 0.00 ATOM 1096 NH2 ARG 141 15.126 -2.781 12.545 1.00 0.00 ATOM 1097 O ARG 141 18.694 -6.555 5.410 1.00 0.00 ATOM 1098 C ARG 141 17.646 -5.992 5.702 1.00 0.00 ATOM 1099 N HIS 142 16.650 -5.798 4.849 1.00 0.00 ATOM 1100 CA HIS 142 16.757 -6.217 3.451 1.00 0.00 ATOM 1101 CB HIS 142 15.796 -7.362 3.142 1.00 0.00 ATOM 1102 CG HIS 142 16.189 -8.654 3.758 1.00 0.00 ATOM 1103 CD2 HIS 142 16.802 -9.737 3.225 1.00 0.00 ATOM 1104 ND1 HIS 142 15.949 -8.953 5.082 1.00 0.00 ATOM 1105 CE1 HIS 142 16.397 -10.170 5.335 1.00 0.00 ATOM 1106 NE2 HIS 142 16.923 -10.665 4.228 1.00 0.00 ATOM 1107 O HIS 142 15.453 -4.360 2.764 1.00 0.00 ATOM 1108 C HIS 142 16.442 -5.047 2.557 1.00 0.00 ATOM 1109 N ASP 143 17.282 -4.848 1.556 1.00 0.00 ATOM 1110 CA ASP 143 17.126 -3.754 0.620 1.00 0.00 ATOM 1111 CB ASP 143 18.502 -3.267 0.122 1.00 0.00 ATOM 1112 CG ASP 143 19.139 -4.141 -0.952 1.00 0.00 ATOM 1113 OD1 ASP 143 18.514 -5.073 -1.508 1.00 0.00 ATOM 1114 OD2 ASP 143 20.312 -3.850 -1.258 1.00 0.00 ATOM 1115 O ASP 143 15.615 -5.266 -0.486 1.00 0.00 ATOM 1116 C ASP 143 16.125 -4.147 -0.476 1.00 0.00 ATOM 1117 N PRO 144 15.792 -3.226 -1.367 1.00 0.00 ATOM 1118 CA PRO 144 14.775 -3.543 -2.379 1.00 0.00 ATOM 1119 CB PRO 144 14.625 -2.221 -3.125 1.00 0.00 ATOM 1120 CG PRO 144 15.039 -1.182 -2.128 1.00 0.00 ATOM 1121 CD PRO 144 16.206 -1.813 -1.443 1.00 0.00 ATOM 1122 O PRO 144 14.196 -5.227 -3.970 1.00 0.00 ATOM 1123 C PRO 144 15.112 -4.681 -3.333 1.00 0.00 ATOM 1124 N ASP 145 16.389 -5.032 -3.448 1.00 0.00 ATOM 1125 CA ASP 145 16.808 -6.186 -4.259 1.00 0.00 ATOM 1126 CB ASP 145 18.180 -5.900 -4.854 1.00 0.00 ATOM 1127 CG ASP 145 18.166 -4.698 -5.777 1.00 0.00 ATOM 1128 OD1 ASP 145 17.503 -4.801 -6.825 1.00 0.00 ATOM 1129 OD2 ASP 145 18.803 -3.667 -5.475 1.00 0.00 ATOM 1130 O ASP 145 17.274 -8.505 -3.902 1.00 0.00 ATOM 1131 C ASP 145 16.828 -7.472 -3.427 1.00 0.00 ATOM 1132 N GLY 146 16.339 -7.417 -2.195 1.00 0.00 ATOM 1133 CA GLY 146 16.342 -8.565 -1.316 1.00 0.00 ATOM 1134 O GLY 146 17.882 -9.980 -0.172 1.00 0.00 ATOM 1135 C GLY 146 17.701 -8.892 -0.724 1.00 0.00 ATOM 1136 N ARG 147 18.672 -7.983 -0.841 1.00 0.00 ATOM 1137 CA ARG 147 19.999 -8.211 -0.287 1.00 0.00 ATOM 1138 CB ARG 147 21.046 -7.453 -1.080 1.00 0.00 ATOM 1139 CG ARG 147 21.082 -7.889 -2.529 1.00 0.00 ATOM 1140 CD ARG 147 22.195 -7.191 -3.300 1.00 0.00 ATOM 1141 NE ARG 147 22.274 -7.752 -4.640 1.00 0.00 ATOM 1142 CZ ARG 147 21.961 -7.120 -5.771 1.00 0.00 ATOM 1143 NH1 ARG 147 21.603 -5.845 -5.795 1.00 0.00 ATOM 1144 NH2 ARG 147 22.062 -7.787 -6.912 1.00 0.00 ATOM 1145 O ARG 147 19.424 -6.805 1.576 1.00 0.00 ATOM 1146 C ARG 147 20.047 -7.788 1.171 1.00 0.00 ATOM 1147 N ARG 148 20.766 -8.569 1.964 1.00 0.00 ATOM 1148 CA ARG 148 20.943 -8.305 3.381 1.00 0.00 ATOM 1149 CB ARG 148 21.588 -9.515 4.068 1.00 0.00 ATOM 1150 CG ARG 148 20.636 -10.695 4.171 1.00 0.00 ATOM 1151 CD ARG 148 21.341 -11.995 4.528 1.00 0.00 ATOM 1152 NE ARG 148 21.717 -12.088 5.943 1.00 0.00 ATOM 1153 CZ ARG 148 22.972 -12.143 6.392 1.00 0.00 ATOM 1154 NH1 ARG 148 23.192 -12.261 7.697 1.00 0.00 ATOM 1155 NH2 ARG 148 24.006 -12.080 5.556 1.00 0.00 ATOM 1156 O ARG 148 22.884 -6.952 2.953 1.00 0.00 ATOM 1157 C ARG 148 21.826 -7.083 3.574 1.00 0.00 ATOM 1158 N VAL 149 21.369 -6.187 4.439 1.00 0.00 ATOM 1159 CA VAL 149 22.141 -5.028 4.830 1.00 0.00 ATOM 1160 CB VAL 149 21.609 -3.726 4.196 1.00 0.00 ATOM 1161 CG1 VAL 149 21.778 -3.782 2.684 1.00 0.00 ATOM 1162 CG2 VAL 149 20.169 -3.436 4.588 1.00 0.00 ATOM 1163 O VAL 149 21.325 -5.600 7.039 1.00 0.00 ATOM 1164 C VAL 149 22.131 -4.951 6.360 1.00 0.00 ATOM 1165 N ALA 150 23.075 -4.188 6.903 1.00 0.00 ATOM 1166 CA ALA 150 23.224 -4.026 8.341 1.00 0.00 ATOM 1167 CB ALA 150 24.660 -4.244 8.726 1.00 0.00 ATOM 1168 O ALA 150 23.211 -1.647 8.155 1.00 0.00 ATOM 1169 C ALA 150 22.769 -2.627 8.727 1.00 0.00 ATOM 1170 N LEU 151 21.892 -2.548 9.704 1.00 0.00 ATOM 1171 CA LEU 151 21.424 -1.274 10.223 1.00 0.00 ATOM 1172 CB LEU 151 19.913 -1.310 10.399 1.00 0.00 ATOM 1173 CG LEU 151 19.278 0.004 10.872 1.00 0.00 ATOM 1174 CD1 LEU 151 19.300 1.059 9.781 1.00 0.00 ATOM 1175 CD2 LEU 151 17.892 -0.302 11.323 1.00 0.00 ATOM 1176 O LEU 151 21.945 -1.751 12.524 1.00 0.00 ATOM 1177 C LEU 151 22.143 -1.005 11.549 1.00 0.00 ATOM 1178 N ILE 152 22.977 0.036 11.580 1.00 0.00 ATOM 1179 CA ILE 152 23.742 0.348 12.793 1.00 0.00 ATOM 1180 CB ILE 152 25.071 0.990 12.424 1.00 0.00 ATOM 1181 CG1 ILE 152 25.894 0.031 11.548 1.00 0.00 ATOM 1182 CG2 ILE 152 25.866 1.350 13.668 1.00 0.00 ATOM 1183 CD1 ILE 152 25.866 0.327 10.148 1.00 0.00 ATOM 1184 O ILE 152 22.562 2.374 13.233 1.00 0.00 ATOM 1185 C ILE 152 22.916 1.279 13.655 1.00 0.00 ATOM 1186 N GLN 153 22.555 0.782 14.833 1.00 0.00 ATOM 1187 CA GLN 153 21.656 1.479 15.744 1.00 0.00 ATOM 1188 CB GLN 153 20.716 0.482 16.417 1.00 0.00 ATOM 1189 CG GLN 153 19.823 -0.216 15.378 1.00 0.00 ATOM 1190 CD GLN 153 19.100 -1.442 15.879 1.00 0.00 ATOM 1191 OE1 GLN 153 19.699 -2.308 16.497 1.00 0.00 ATOM 1192 NE2 GLN 153 17.802 -1.552 15.550 1.00 0.00 ATOM 1193 O GLN 153 23.261 1.583 17.526 1.00 0.00 ATOM 1194 C GLN 153 22.503 2.217 16.765 1.00 0.00 ATOM 1195 N MET 154 22.414 3.545 16.733 1.00 0.00 ATOM 1196 CA MET 154 23.252 4.419 17.530 1.00 0.00 ATOM 1197 CB MET 154 24.005 5.363 16.601 1.00 0.00 ATOM 1198 CG MET 154 24.705 4.684 15.441 1.00 0.00 ATOM 1199 SD MET 154 25.669 5.873 14.267 1.00 0.00 ATOM 1200 CE MET 154 27.093 6.312 15.376 1.00 0.00 ATOM 1201 O MET 154 21.196 5.427 18.261 1.00 0.00 ATOM 1202 C MET 154 22.404 5.258 18.477 1.00 0.00 ATOM 1203 N ASP 155 23.022 5.828 19.509 1.00 0.00 ATOM 1204 CA ASP 155 22.295 6.750 20.371 1.00 0.00 ATOM 1205 CB ASP 155 21.367 5.991 21.363 1.00 0.00 ATOM 1206 CG ASP 155 22.104 5.134 22.375 1.00 0.00 ATOM 1207 OD1 ASP 155 23.305 5.336 22.578 1.00 0.00 ATOM 1208 OD2 ASP 155 21.431 4.264 22.977 1.00 0.00 ATOM 1209 O ASP 155 24.479 7.649 20.909 1.00 0.00 ATOM 1210 C ASP 155 23.251 7.744 21.030 1.00 0.00 ATOM 1211 N LYS 156 22.641 8.733 21.677 1.00 0.00 ATOM 1212 CA LYS 156 23.360 9.808 22.340 1.00 0.00 ATOM 1213 CB LYS 156 23.615 10.955 21.356 1.00 0.00 ATOM 1214 CG LYS 156 24.358 12.187 21.886 1.00 0.00 ATOM 1215 CD LYS 156 24.271 13.289 20.813 1.00 0.00 ATOM 1216 CE LYS 156 24.751 14.622 21.265 1.00 0.00 ATOM 1217 NZ LYS 156 24.824 15.456 20.058 1.00 0.00 ATOM 1218 O LYS 156 21.298 10.554 23.269 1.00 0.00 ATOM 1219 C LYS 156 22.487 10.324 23.475 1.00 0.00 ATOM 1220 N PRO 157 23.071 10.534 24.676 1.00 0.00 ATOM 1221 CA PRO 157 22.285 11.132 25.747 1.00 0.00 ATOM 1222 CB PRO 157 23.185 11.007 26.985 1.00 0.00 ATOM 1223 CG PRO 157 24.548 10.819 26.456 1.00 0.00 ATOM 1224 CD PRO 157 24.458 10.251 25.084 1.00 0.00 ATOM 1225 O PRO 157 22.769 13.300 24.859 1.00 0.00 ATOM 1226 C PRO 157 21.961 12.580 25.467 1.00 0.00 ATOM 1227 N LEU 158 20.781 12.988 25.942 1.00 0.00 ATOM 1228 CA LEU 158 20.326 14.376 25.913 1.00 0.00 ATOM 1229 CB LEU 158 19.044 14.529 25.094 1.00 0.00 ATOM 1230 CG LEU 158 19.024 13.965 23.676 1.00 0.00 ATOM 1231 CD1 LEU 158 17.633 14.056 23.134 1.00 0.00 ATOM 1232 CD2 LEU 158 20.025 14.637 22.787 1.00 0.00 ATOM 1233 O LEU 158 19.258 14.138 28.049 1.00 0.00 ATOM 1234 C LEU 158 20.024 14.784 27.353 1.00 0.00 ATOM 1235 N GLU 159 20.626 15.856 27.794 1.00 0.00 ATOM 1236 CA GLU 159 20.349 16.344 29.137 1.00 0.00 ATOM 1237 CB GLU 159 21.643 16.834 29.784 1.00 0.00 ATOM 1238 CG GLU 159 22.594 15.679 30.144 1.00 0.00 ATOM 1239 CD GLU 159 23.727 16.081 31.080 1.00 0.00 ATOM 1240 OE1 GLU 159 23.888 17.291 31.358 1.00 0.00 ATOM 1241 OE2 GLU 159 24.457 15.169 31.540 1.00 0.00 ATOM 1242 O GLU 159 18.774 17.799 28.050 1.00 0.00 ATOM 1243 C GLU 159 19.227 17.383 29.102 1.00 0.00 ATOM 1244 N PRO 160 18.716 17.761 30.266 1.00 0.00 ATOM 1245 CA PRO 160 17.623 18.718 30.274 1.00 0.00 ATOM 1246 CB PRO 160 17.349 18.915 31.768 1.00 0.00 ATOM 1247 CG PRO 160 17.858 17.687 32.408 1.00 0.00 ATOM 1248 CD PRO 160 19.065 17.315 31.623 1.00 0.00 ATOM 1249 O PRO 160 17.133 20.658 29.008 1.00 0.00 ATOM 1250 C PRO 160 17.992 20.036 29.603 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1772059418.pdb -s /var/tmp/to_scwrl_1772059418.seq -o /var/tmp/from_scwrl_1772059418.pdb > /var/tmp/scwrl_1772059418.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1772059418.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 158 # 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 = -70.938 # GDT_score(maxd=8.000,maxw=2.900)= -73.472 # GDT_score(maxd=8.000,maxw=3.200)= -70.342 # GDT_score(maxd=8.000,maxw=3.500)= -66.881 # GDT_score(maxd=10.000,maxw=3.800)= -69.560 # GDT_score(maxd=10.000,maxw=4.000)= -67.297 # GDT_score(maxd=10.000,maxw=4.200)= -65.069 # GDT_score(maxd=12.000,maxw=4.300)= -68.773 # GDT_score(maxd=12.000,maxw=4.500)= -66.603 # GDT_score(maxd=12.000,maxw=4.700)= -64.491 # GDT_score(maxd=14.000,maxw=5.200)= -63.257 # GDT_score(maxd=14.000,maxw=5.500)= -60.380 # command:# request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_6649585.pdb -s /var/tmp/to_scwrl_6649585.seq -o /var/tmp/from_scwrl_6649585.pdb > /var/tmp/scwrl_6649585.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_6649585.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 149 # 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 = -72.031 # GDT_score(maxd=8.000,maxw=2.900)= -74.885 # GDT_score(maxd=8.000,maxw=3.200)= -71.439 # GDT_score(maxd=8.000,maxw=3.500)= -68.103 # GDT_score(maxd=10.000,maxw=3.800)= -70.951 # GDT_score(maxd=10.000,maxw=4.000)= -68.863 # GDT_score(maxd=10.000,maxw=4.200)= -66.823 # GDT_score(maxd=12.000,maxw=4.300)= -70.412 # GDT_score(maxd=12.000,maxw=4.500)= -68.409 # GDT_score(maxd=12.000,maxw=4.700)= -66.373 # GDT_score(maxd=14.000,maxw=5.200)= -65.173 # GDT_score(maxd=14.000,maxw=5.500)= -62.310 # command:# request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2021945699.pdb -s /var/tmp/to_scwrl_2021945699.seq -o /var/tmp/from_scwrl_2021945699.pdb > /var/tmp/scwrl_2021945699.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2021945699.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 158 # 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 = -59.844 # GDT_score(maxd=8.000,maxw=2.900)= -61.494 # GDT_score(maxd=8.000,maxw=3.200)= -58.307 # GDT_score(maxd=8.000,maxw=3.500)= -55.252 # GDT_score(maxd=10.000,maxw=3.800)= -58.399 # GDT_score(maxd=10.000,maxw=4.000)= -56.419 # GDT_score(maxd=10.000,maxw=4.200)= -54.479 # GDT_score(maxd=12.000,maxw=4.300)= -58.361 # GDT_score(maxd=12.000,maxw=4.500)= -56.446 # GDT_score(maxd=12.000,maxw=4.700)= -54.600 # GDT_score(maxd=14.000,maxw=5.200)= -54.018 # GDT_score(maxd=14.000,maxw=5.500)= -51.604 # command:# request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1072873752.pdb -s /var/tmp/to_scwrl_1072873752.seq -o /var/tmp/from_scwrl_1072873752.pdb > /var/tmp/scwrl_1072873752.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1072873752.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 146 # 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 = -60.938 # GDT_score(maxd=8.000,maxw=2.900)= -62.860 # GDT_score(maxd=8.000,maxw=3.200)= -59.403 # GDT_score(maxd=8.000,maxw=3.500)= -56.097 # GDT_score(maxd=10.000,maxw=3.800)= -59.299 # GDT_score(maxd=10.000,maxw=4.000)= -57.188 # GDT_score(maxd=10.000,maxw=4.200)= -55.160 # GDT_score(maxd=12.000,maxw=4.300)= -59.069 # GDT_score(maxd=12.000,maxw=4.500)= -57.084 # GDT_score(maxd=12.000,maxw=4.700)= -55.211 # GDT_score(maxd=14.000,maxw=5.200)= -54.551 # GDT_score(maxd=14.000,maxw=5.500)= -52.032 # command:# request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_637220979.pdb -s /var/tmp/to_scwrl_637220979.seq -o /var/tmp/from_scwrl_637220979.pdb > /var/tmp/scwrl_637220979.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_637220979.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 T0374.try1-opt2.pdb looking for model 1 # Found a chain break before 154 # 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 = -74.062 # GDT_score(maxd=8.000,maxw=2.900)= -76.832 # GDT_score(maxd=8.000,maxw=3.200)= -73.629 # GDT_score(maxd=8.000,maxw=3.500)= -70.448 # GDT_score(maxd=10.000,maxw=3.800)= -73.030 # GDT_score(maxd=10.000,maxw=4.000)= -70.932 # GDT_score(maxd=10.000,maxw=4.200)= -68.797 # GDT_score(maxd=12.000,maxw=4.300)= -72.325 # GDT_score(maxd=12.000,maxw=4.500)= -70.227 # GDT_score(maxd=12.000,maxw=4.700)= -68.133 # GDT_score(maxd=14.000,maxw=5.200)= -66.777 # GDT_score(maxd=14.000,maxw=5.500)= -63.824 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0374.try1-real.pdb for output Error: Couldn't open file T0374.try1-real.pdb for output superimposing iter= 0 total_weight= 1890.000 rmsd (weighted)= 4.146 (unweighted)= 4.536 superimposing iter= 1 total_weight= 6013.830 rmsd (weighted)= 1.638 (unweighted)= 4.569 superimposing iter= 2 total_weight= 3001.779 rmsd (weighted)= 1.022 (unweighted)= 4.597 superimposing iter= 3 total_weight= 1743.251 rmsd (weighted)= 0.854 (unweighted)= 4.622 superimposing iter= 4 total_weight= 1431.130 rmsd (weighted)= 0.792 (unweighted)= 4.638 superimposing iter= 5 total_weight= 1317.036 rmsd (weighted)= 0.767 (unweighted)= 4.647 EXPDTA T0374.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0374.try1-opt2.pdb ATOM 1 N MET A 1 23.102 31.970 1.947 1.00 0.00 ATOM 2 CA MET A 1 23.856 32.662 3.033 1.00 0.00 ATOM 3 CB MET A 1 24.166 34.096 2.630 1.00 0.00 ATOM 4 CG MET A 1 25.575 34.532 3.029 1.00 0.00 ATOM 5 SD MET A 1 25.733 36.428 2.521 1.00 0.00 ATOM 6 CE MET A 1 26.635 36.272 0.570 1.00 0.00 ATOM 7 O MET A 1 23.607 32.115 5.374 1.00 0.00 ATOM 8 C MET A 1 23.094 32.629 4.364 1.00 0.00 ATOM 9 N GLN A 2 21.748 32.738 4.341 1.00 0.00 ATOM 10 CA GLN A 2 20.917 32.455 5.521 1.00 0.00 ATOM 11 CB GLN A 2 19.688 33.366 5.541 1.00 0.00 ATOM 12 CG GLN A 2 20.014 34.849 5.621 1.00 0.00 ATOM 13 CD GLN A 2 20.687 35.226 6.927 1.00 0.00 ATOM 14 OE1 GLN A 2 20.217 34.864 8.006 1.00 0.00 ATOM 15 NE2 GLN A 2 21.791 35.958 6.831 1.00 0.00 ATOM 16 O GLN A 2 20.071 30.531 4.413 1.00 0.00 ATOM 17 C GLN A 2 20.465 31.009 5.471 1.00 0.00 ATOM 18 N LEU A 3 20.518 30.319 6.602 1.00 0.00 ATOM 19 CA LEU A 3 19.857 29.033 6.751 1.00 0.00 ATOM 20 CB LEU A 3 20.816 28.004 7.355 1.00 0.00 ATOM 21 CG LEU A 3 22.089 27.716 6.556 1.00 0.00 ATOM 22 CD1 LEU A 3 22.987 26.747 7.310 1.00 0.00 ATOM 23 CD2 LEU A 3 21.751 27.101 5.207 1.00 0.00 ATOM 24 O LEU A 3 18.584 30.103 8.505 1.00 0.00 ATOM 25 C LEU A 3 18.626 29.242 7.625 1.00 0.00 ATOM 26 N SER A 4 17.613 28.417 7.323 1.00 0.00 ATOM 27 CA SER A 4 16.360 28.453 8.109 1.00 0.00 ATOM 28 CB SER A 4 15.358 29.479 7.575 1.00 0.00 ATOM 29 OG SER A 4 14.172 29.486 8.350 1.00 0.00 ATOM 30 O SER A 4 15.766 26.354 7.124 1.00 0.00 ATOM 31 C SER A 4 15.699 27.084 8.112 1.00 0.00 ATOM 32 N HIS A 5 15.007 26.791 9.213 1.00 0.00 ATOM 33 CA HIS A 5 14.294 25.531 9.325 1.00 0.00 ATOM 34 CB HIS A 5 14.851 24.715 10.496 1.00 0.00 ATOM 35 CG HIS A 5 13.916 23.659 11.002 1.00 0.00 ATOM 36 CD2 HIS A 5 13.886 22.320 10.796 1.00 0.00 ATOM 37 ND1 HIS A 5 12.860 23.939 11.842 1.00 0.00 ATOM 38 CE1 HIS A 5 12.221 22.819 12.135 1.00 0.00 ATOM 39 NE2 HIS A 5 12.824 21.823 11.511 1.00 0.00 ATOM 40 O HIS A 5 12.561 26.766 10.432 1.00 0.00 ATOM 41 C HIS A 5 12.850 25.820 9.693 1.00 0.00 ATOM 42 N ARG A 6 12.092 24.978 8.976 1.00 0.00 ATOM 43 CA ARG A 6 10.660 25.084 9.234 1.00 0.00 ATOM 44 CB ARG A 6 9.968 25.643 8.008 1.00 0.00 ATOM 45 CG ARG A 6 10.167 27.136 7.832 1.00 0.00 ATOM 46 CD ARG A 6 9.559 27.695 6.573 1.00 0.00 ATOM 47 NE ARG A 6 10.247 27.234 5.399 1.00 0.00 ATOM 48 CZ ARG A 6 9.873 27.485 4.170 1.00 0.00 ATOM 49 NH1 ARG A 6 8.685 28.024 3.919 1.00 0.00 ATOM 50 NH2 ARG A 6 10.679 27.200 3.142 1.00 0.00 ATOM 51 O ARG A 6 10.349 22.754 8.771 1.00 0.00 ATOM 52 C ARG A 6 10.038 23.717 9.475 1.00 0.00 ATOM 53 N PRO A 7 9.155 23.631 10.466 1.00 0.00 ATOM 54 CA PRO A 7 8.476 22.373 10.763 1.00 0.00 ATOM 55 CB PRO A 7 7.828 22.619 12.126 1.00 0.00 ATOM 56 CG PRO A 7 7.642 24.097 12.193 1.00 0.00 ATOM 57 CD PRO A 7 8.785 24.695 11.421 1.00 0.00 ATOM 58 O PRO A 7 6.818 23.061 9.165 1.00 0.00 ATOM 59 C PRO A 7 7.491 22.133 9.616 1.00 0.00 ATOM 60 N ALA A 8 7.427 20.885 9.152 1.00 0.00 ATOM 61 CA ALA A 8 6.529 20.543 8.055 1.00 0.00 ATOM 62 CB ALA A 8 6.942 19.223 7.421 1.00 0.00 ATOM 63 O ALA A 8 4.803 19.784 9.542 1.00 0.00 ATOM 64 C ALA A 8 5.081 20.377 8.504 1.00 0.00 ATOM 65 N GLU A 9 4.156 20.872 7.688 1.00 0.00 ATOM 66 CA GLU A 9 2.733 20.758 7.988 1.00 0.00 ATOM 67 CB GLU A 9 2.087 22.144 8.058 1.00 0.00 ATOM 68 CG GLU A 9 2.678 23.049 9.127 1.00 0.00 ATOM 69 CD GLU A 9 2.320 22.603 10.532 1.00 0.00 ATOM 70 OE1 GLU A 9 1.456 21.714 10.670 1.00 0.00 ATOM 71 OE2 GLU A 9 2.907 23.143 11.492 1.00 0.00 ATOM 72 O GLU A 9 2.701 19.466 5.968 1.00 0.00 ATOM 73 C GLU A 9 2.054 19.950 6.899 1.00 0.00 ATOM 74 N THR A 10 0.740 19.817 7.020 1.00 0.00 ATOM 75 CA THR A 10 -0.042 19.065 6.056 1.00 0.00 ATOM 76 CB THR A 10 -1.542 19.092 6.402 1.00 0.00 ATOM 77 CG2 THR A 10 -2.344 18.332 5.357 1.00 0.00 ATOM 78 OG1 THR A 10 -1.752 18.483 7.682 1.00 0.00 ATOM 79 O THR A 10 0.116 18.880 3.676 1.00 0.00 ATOM 80 C THR A 10 0.110 19.630 4.646 1.00 0.00 ATOM 81 N GLY A 11 0.232 20.949 4.532 1.00 0.00 ATOM 82 CA GLY A 11 0.374 21.576 3.224 1.00 0.00 ATOM 83 O GLY A 11 1.894 21.573 1.369 1.00 0.00 ATOM 84 C GLY A 11 1.725 21.318 2.561 1.00 0.00 ATOM 85 N ASP A 12 2.686 20.826 3.334 1.00 0.00 ATOM 86 CA ASP A 12 4.018 20.534 2.807 1.00 0.00 ATOM 87 CB ASP A 12 5.074 20.689 3.904 1.00 0.00 ATOM 88 CG ASP A 12 5.165 22.108 4.428 1.00 0.00 ATOM 89 OD1 ASP A 12 5.239 23.043 3.604 1.00 0.00 ATOM 90 OD2 ASP A 12 5.161 22.286 5.665 1.00 0.00 ATOM 91 O ASP A 12 5.212 18.660 1.926 1.00 0.00 ATOM 92 C ASP A 12 4.127 19.107 2.281 1.00 0.00 ATOM 93 N LEU A 13 3.011 18.384 2.289 1.00 0.00 ATOM 94 CA LEU A 13 2.980 16.994 1.842 1.00 0.00 ATOM 95 CB LEU A 13 1.537 16.489 1.767 1.00 0.00 ATOM 96 CG LEU A 13 1.349 15.047 1.291 1.00 0.00 ATOM 97 CD1 LEU A 13 2.004 14.073 2.257 1.00 0.00 ATOM 98 CD2 LEU A 13 -0.130 14.702 1.196 1.00 0.00 ATOM 99 O LEU A 13 4.405 15.881 0.293 1.00 0.00 ATOM 100 C LEU A 13 3.554 16.759 0.456 1.00 0.00 ATOM 101 N GLU A 14 3.111 17.529 -0.532 1.00 0.00 ATOM 102 CA GLU A 14 3.635 17.358 -1.887 1.00 0.00 ATOM 103 CB GLU A 14 2.910 18.304 -2.846 1.00 0.00 ATOM 104 CG GLU A 14 1.458 17.932 -3.106 1.00 0.00 ATOM 105 CD GLU A 14 0.738 18.957 -3.959 1.00 0.00 ATOM 106 OE1 GLU A 14 1.352 19.994 -4.286 1.00 0.00 ATOM 107 OE2 GLU A 14 -0.441 18.723 -4.301 1.00 0.00 ATOM 108 O GLU A 14 5.871 16.876 -2.616 1.00 0.00 ATOM 109 C GLU A 14 5.130 17.640 -1.996 1.00 0.00 ATOM 110 N THR A 15 5.572 18.739 -1.395 1.00 0.00 ATOM 111 CA THR A 15 6.986 19.102 -1.429 1.00 0.00 ATOM 112 CB THR A 15 7.236 20.459 -0.744 1.00 0.00 ATOM 113 CG2 THR A 15 6.449 21.559 -1.438 1.00 0.00 ATOM 114 OG1 THR A 15 6.824 20.388 0.626 1.00 0.00 ATOM 115 O THR A 15 8.924 17.715 -1.183 1.00 0.00 ATOM 116 C THR A 15 7.838 18.070 -0.706 1.00 0.00 ATOM 117 N VAL A 16 7.360 17.604 0.451 1.00 0.00 ATOM 118 CA VAL A 16 8.073 16.599 1.229 1.00 0.00 ATOM 119 CB VAL A 16 7.355 16.321 2.566 1.00 0.00 ATOM 120 CG1 VAL A 16 7.950 15.090 3.243 1.00 0.00 ATOM 121 CG2 VAL A 16 7.479 17.528 3.464 1.00 0.00 ATOM 122 O VAL A 16 9.253 14.679 0.413 1.00 0.00 ATOM 123 C VAL A 16 8.206 15.317 0.409 1.00 0.00 ATOM 124 N ALA A 17 7.136 14.945 -0.289 1.00 0.00 ATOM 125 CA ALA A 17 7.140 13.731 -1.103 1.00 0.00 ATOM 126 CB ALA A 17 5.739 13.455 -1.667 1.00 0.00 ATOM 127 O ALA A 17 8.901 12.838 -2.465 1.00 0.00 ATOM 128 C ALA A 17 8.160 13.810 -2.220 1.00 0.00 ATOM 129 N GLY A 18 8.235 14.908 -2.932 1.00 0.00 ATOM 130 CA GLY A 18 9.188 15.042 -4.014 1.00 0.00 ATOM 131 O GLY A 18 11.503 14.436 -4.077 1.00 0.00 ATOM 132 C GLY A 18 10.620 15.068 -3.500 1.00 0.00 ATOM 133 N PHE A 19 10.857 15.806 -2.419 1.00 0.00 ATOM 134 CA PHE A 19 12.206 15.873 -1.859 1.00 0.00 ATOM 135 CB PHE A 19 12.238 16.889 -0.717 1.00 0.00 ATOM 136 CG PHE A 19 12.034 18.308 -1.161 1.00 0.00 ATOM 137 CD1 PHE A 19 12.192 18.663 -2.490 1.00 0.00 ATOM 138 CD2 PHE A 19 11.682 19.292 -0.252 1.00 0.00 ATOM 139 CE1 PHE A 19 12.004 19.969 -2.901 1.00 0.00 ATOM 140 CE2 PHE A 19 11.494 20.598 -0.661 1.00 0.00 ATOM 141 CZ PHE A 19 11.652 20.939 -1.979 1.00 0.00 ATOM 142 O PHE A 19 13.782 14.091 -1.497 1.00 0.00 ATOM 143 C PHE A 19 12.633 14.502 -1.327 1.00 0.00 ATOM 144 N PRO A 20 11.703 13.794 -0.687 1.00 0.00 ATOM 145 CA PRO A 20 11.994 12.461 -0.144 1.00 0.00 ATOM 146 CB PRO A 20 10.675 11.977 0.379 1.00 0.00 ATOM 147 CG PRO A 20 10.081 13.238 0.937 1.00 0.00 ATOM 148 CD PRO A 20 10.414 14.301 -0.112 1.00 0.00 ATOM 149 O PRO A 20 13.354 10.709 -1.079 1.00 0.00 ATOM 150 C PRO A 20 12.375 11.467 -1.230 1.00 0.00 ATOM 151 N GLN A 21 11.658 11.481 -2.349 1.00 0.00 ATOM 152 CA GLN A 21 11.926 10.581 -3.456 1.00 0.00 ATOM 153 CB GLN A 21 10.869 10.746 -4.549 1.00 0.00 ATOM 154 CG GLN A 21 9.502 10.194 -4.179 1.00 0.00 ATOM 155 CD GLN A 21 8.449 10.493 -5.228 1.00 0.00 ATOM 156 OE1 GLN A 21 8.717 11.186 -6.209 1.00 0.00 ATOM 157 NE2 GLN A 21 7.246 9.969 -5.023 1.00 0.00 ATOM 158 O GLN A 21 14.087 9.940 -4.287 1.00 0.00 ATOM 159 C GLN A 21 13.290 10.859 -4.093 1.00 0.00 ATOM 160 N ASP A 22 13.554 12.122 -4.412 1.00 0.00 ATOM 161 CA ASP A 22 14.810 12.513 -5.045 1.00 0.00 ATOM 162 CB ASP A 22 14.842 14.024 -5.286 1.00 0.00 ATOM 163 CG ASP A 22 13.920 14.454 -6.409 1.00 0.00 ATOM 164 OD1 ASP A 22 13.441 13.574 -7.154 1.00 0.00 ATOM 165 OD2 ASP A 22 13.675 15.671 -6.543 1.00 0.00 ATOM 166 O ASP A 22 17.003 11.593 -4.711 1.00 0.00 ATOM 167 C ASP A 22 16.042 12.179 -4.209 1.00 0.00 ATOM 168 N ARG A 23 16.029 12.579 -2.943 1.00 0.00 ATOM 169 CA ARG A 23 17.179 12.327 -2.082 1.00 0.00 ATOM 170 CB ARG A 23 17.192 13.201 -0.881 1.00 0.00 ATOM 171 CG ARG A 23 17.310 14.631 -1.378 1.00 0.00 ATOM 172 CD ARG A 23 17.206 15.689 -0.321 1.00 0.00 ATOM 173 NE ARG A 23 17.355 17.009 -0.955 1.00 0.00 ATOM 174 CZ ARG A 23 17.347 18.149 -0.272 1.00 0.00 ATOM 175 NH1 ARG A 23 17.188 18.106 1.061 1.00 0.00 ATOM 176 NH2 ARG A 23 17.511 19.303 -0.903 1.00 0.00 ATOM 177 O ARG A 23 18.512 10.374 -1.685 1.00 0.00 ATOM 178 C ARG A 23 17.373 10.847 -1.767 1.00 0.00 ATOM 179 N ASP A 24 16.281 10.108 -1.606 1.00 0.00 ATOM 180 CA ASP A 24 16.400 8.683 -1.314 1.00 0.00 ATOM 181 CB ASP A 24 15.051 8.198 -0.808 1.00 0.00 ATOM 182 CG ASP A 24 15.202 6.971 0.051 1.00 0.00 ATOM 183 OD1 ASP A 24 15.878 7.075 1.126 1.00 0.00 ATOM 184 OD2 ASP A 24 14.679 5.911 -0.367 1.00 0.00 ATOM 185 O ASP A 24 17.744 7.033 -2.425 1.00 0.00 ATOM 186 C ASP A 24 16.900 7.924 -2.537 1.00 0.00 ATOM 187 N GLU A 25 16.345 8.249 -3.701 1.00 0.00 ATOM 188 CA GLU A 25 16.762 7.588 -4.931 1.00 0.00 ATOM 189 CB GLU A 25 16.019 8.177 -6.132 1.00 0.00 ATOM 190 CG GLU A 25 16.366 7.521 -7.458 1.00 0.00 ATOM 191 CD GLU A 25 15.587 8.106 -8.620 1.00 0.00 ATOM 192 OE1 GLU A 25 14.765 9.018 -8.384 1.00 0.00 ATOM 193 OE2 GLU A 25 15.797 7.655 -9.765 1.00 0.00 ATOM 194 O GLU A 25 19.000 6.863 -5.464 1.00 0.00 ATOM 195 C GLU A 25 18.260 7.789 -5.131 1.00 0.00 ATOM 196 N LEU A 26 18.794 9.047 -4.664 1.00 0.00 ATOM 197 CA LEU A 26 20.196 9.384 -4.850 1.00 0.00 ATOM 198 CB LEU A 26 20.386 10.901 -4.855 1.00 0.00 ATOM 199 CG LEU A 26 19.727 11.663 -6.006 1.00 0.00 ATOM 200 CD1 LEU A 26 19.896 13.165 -5.826 1.00 0.00 ATOM 201 CD2 LEU A 26 20.351 11.272 -7.338 1.00 0.00 ATOM 202 O LEU A 26 22.338 8.932 -3.869 1.00 0.00 ATOM 203 C LEU A 26 21.117 8.822 -3.766 1.00 0.00 ATOM 204 N PHE A 27 20.545 8.145 -2.776 1.00 0.00 ATOM 205 CA PHE A 27 21.347 7.583 -1.697 1.00 0.00 ATOM 206 CB PHE A 27 20.726 7.926 -0.341 1.00 0.00 ATOM 207 CG PHE A 27 20.702 9.397 -0.039 1.00 0.00 ATOM 208 CD1 PHE A 27 21.535 10.270 -0.717 1.00 0.00 ATOM 209 CD2 PHE A 27 19.847 9.907 0.922 1.00 0.00 ATOM 210 CE1 PHE A 27 21.514 11.624 -0.439 1.00 0.00 ATOM 211 CE2 PHE A 27 19.825 11.260 1.199 1.00 0.00 ATOM 212 CZ PHE A 27 20.654 12.118 0.523 1.00 0.00 ATOM 213 O PHE A 27 22.528 5.522 -1.377 1.00 0.00 ATOM 214 C PHE A 27 21.488 6.055 -1.755 1.00 0.00 ATOM 215 N TYR A 28 20.475 5.347 -2.213 1.00 0.00 ATOM 216 CA TYR A 28 20.468 3.887 -2.312 1.00 0.00 ATOM 217 CB TYR A 28 19.555 3.295 -1.242 1.00 0.00 ATOM 218 CG TYR A 28 19.974 3.581 0.191 1.00 0.00 ATOM 219 CD1 TYR A 28 19.825 4.835 0.770 1.00 0.00 ATOM 220 CD2 TYR A 28 20.521 2.582 0.983 1.00 0.00 ATOM 221 CE1 TYR A 28 20.201 5.084 2.070 1.00 0.00 ATOM 222 CE2 TYR A 28 20.891 2.820 2.274 1.00 0.00 ATOM 223 CZ TYR A 28 20.739 4.069 2.821 1.00 0.00 ATOM 224 OH TYR A 28 21.101 4.325 4.126 1.00 0.00 ATOM 225 O TYR A 28 19.077 4.249 -4.219 1.00 0.00 ATOM 226 C TYR A 28 19.925 3.535 -3.657 1.00 0.00 ATOM 227 N CYS A 29 20.402 2.441 -4.206 1.00 0.00 ATOM 228 CA CYS A 29 20.018 1.990 -5.547 1.00 0.00 ATOM 229 CB CYS A 29 20.749 0.695 -5.906 1.00 0.00 ATOM 230 SG CYS A 29 20.339 -0.713 -4.851 1.00 0.00 ATOM 231 O CYS A 29 17.952 2.020 -6.760 1.00 0.00 ATOM 232 C CYS A 29 18.537 1.699 -5.726 1.00 0.00 ATOM 233 N TYR A 30 16.822 1.250 -5.126 1.00 0.00 ATOM 234 CA TYR A 30 15.569 1.621 -5.772 1.00 0.00 ATOM 235 CB TYR A 30 15.498 1.034 -7.183 1.00 0.00 ATOM 236 CG TYR A 30 14.207 1.337 -7.909 1.00 0.00 ATOM 237 CD1 TYR A 30 14.005 2.572 -8.513 1.00 0.00 ATOM 238 CD2 TYR A 30 13.195 0.389 -7.989 1.00 0.00 ATOM 239 CE1 TYR A 30 12.829 2.859 -9.179 1.00 0.00 ATOM 240 CE2 TYR A 30 12.011 0.659 -8.652 1.00 0.00 ATOM 241 CZ TYR A 30 11.836 1.906 -9.247 1.00 0.00 ATOM 242 OH TYR A 30 10.663 2.190 -9.911 1.00 0.00 ATOM 243 O TYR A 30 13.452 1.848 -4.653 1.00 0.00 ATOM 244 C TYR A 30 14.389 1.104 -4.956 1.00 0.00 ATOM 245 N PRO A 31 14.455 -0.167 -4.571 1.00 0.00 ATOM 246 CA PRO A 31 13.386 -0.784 -3.791 1.00 0.00 ATOM 247 CB PRO A 31 13.862 -2.224 -3.585 1.00 0.00 ATOM 248 CG PRO A 31 14.719 -2.508 -4.773 1.00 0.00 ATOM 249 CD PRO A 31 15.495 -1.248 -5.037 1.00 0.00 ATOM 250 O PRO A 31 12.014 0.182 -2.070 1.00 0.00 ATOM 251 C PRO A 31 13.154 -0.088 -2.448 1.00 0.00 ATOM 252 N LYS A 32 14.223 0.288 -1.837 1.00 0.00 ATOM 253 CA LYS A 32 14.128 1.011 -0.574 1.00 0.00 ATOM 254 CB LYS A 32 15.499 1.278 0.015 1.00 0.00 ATOM 255 CG LYS A 32 16.049 0.037 0.726 1.00 0.00 ATOM 256 CD LYS A 32 17.543 0.145 0.992 1.00 0.00 ATOM 257 CE LYS A 32 18.072 -1.176 1.589 1.00 0.00 ATOM 258 NZ LYS A 32 19.516 -1.092 1.944 1.00 0.00 ATOM 259 O LYS A 32 12.660 2.823 0.022 1.00 0.00 ATOM 260 C LYS A 32 13.529 2.406 -0.747 1.00 0.00 ATOM 261 N ALA A 33 14.011 3.131 -1.752 1.00 0.00 ATOM 262 CA ALA A 33 13.514 4.471 -2.034 1.00 0.00 ATOM 263 CB ALA A 33 14.154 5.019 -3.301 1.00 0.00 ATOM 264 O ALA A 33 11.286 5.319 -1.715 1.00 0.00 ATOM 265 C ALA A 33 12.002 4.451 -2.218 1.00 0.00 ATOM 266 N ILE A 34 11.503 3.455 -2.958 1.00 0.00 ATOM 267 CA ILE A 34 10.073 3.334 -3.195 1.00 0.00 ATOM 268 CB ILE A 34 9.768 2.258 -4.253 1.00 0.00 ATOM 269 CG1 ILE A 34 10.402 2.634 -5.594 1.00 0.00 ATOM 270 CG2 ILE A 34 8.266 2.118 -4.451 1.00 0.00 ATOM 271 CD1 ILE A 34 9.936 3.967 -6.137 1.00 0.00 ATOM 272 O ILE A 34 8.130 3.350 -1.781 1.00 0.00 ATOM 273 C ILE A 34 9.284 2.950 -1.941 1.00 0.00 ATOM 274 N TRP A 35 9.902 2.194 -1.040 1.00 0.00 ATOM 275 CA TRP A 35 9.205 1.778 0.174 1.00 0.00 ATOM 276 CB TRP A 35 10.228 0.654 0.840 1.00 0.00 ATOM 277 CG TRP A 35 9.853 -0.343 1.906 1.00 0.00 ATOM 278 CD1 TRP A 35 8.644 -0.955 2.117 1.00 0.00 ATOM 279 CD2 TRP A 35 10.738 -0.860 2.901 1.00 0.00 ATOM 280 CE2 TRP A 35 10.010 -1.776 3.686 1.00 0.00 ATOM 281 CE3 TRP A 35 12.088 -0.628 3.218 1.00 0.00 ATOM 282 NE1 TRP A 35 8.736 -1.823 3.182 1.00 0.00 ATOM 283 CZ2 TRP A 35 10.583 -2.461 4.765 1.00 0.00 ATOM 284 CZ3 TRP A 35 12.656 -1.318 4.283 1.00 0.00 ATOM 285 CH2 TRP A 35 11.905 -2.227 5.037 1.00 0.00 ATOM 286 O TRP A 35 8.567 2.779 2.267 1.00 0.00 ATOM 287 C TRP A 35 9.362 2.768 1.328 1.00 0.00 ATOM 288 N PRO A 36 10.142 3.916 1.203 1.00 0.00 ATOM 289 CA PRO A 36 10.380 4.865 2.280 1.00 0.00 ATOM 290 CB PRO A 36 11.884 4.809 2.483 1.00 0.00 ATOM 291 CG PRO A 36 12.235 3.421 2.048 1.00 0.00 ATOM 292 CD PRO A 36 11.407 3.245 0.796 1.00 0.00 ATOM 293 O PRO A 36 9.452 6.989 2.882 1.00 0.00 ATOM 294 C PRO A 36 9.897 6.273 1.983 1.00 0.00 ATOM 295 N PHE A 37 9.959 6.672 0.721 1.00 0.00 ATOM 296 CA PHE A 37 9.584 8.035 0.378 1.00 0.00 ATOM 297 CB PHE A 37 10.758 8.904 0.240 1.00 0.00 ATOM 298 CG PHE A 37 11.433 9.121 1.568 1.00 0.00 ATOM 299 CD1 PHE A 37 10.667 9.390 2.702 1.00 0.00 ATOM 300 CD2 PHE A 37 12.808 9.094 1.670 1.00 0.00 ATOM 301 CE1 PHE A 37 11.275 9.639 3.935 1.00 0.00 ATOM 302 CE2 PHE A 37 13.439 9.348 2.908 1.00 0.00 ATOM 303 CZ PHE A 37 12.675 9.619 4.031 1.00 0.00 ATOM 304 O PHE A 37 8.248 9.229 -1.215 1.00 0.00 ATOM 305 C PHE A 37 8.406 8.185 -0.577 1.00 0.00 ATOM 306 N SER A 38 7.563 7.161 -0.672 1.00 0.00 ATOM 307 CA SER A 38 6.413 7.273 -1.543 1.00 0.00 ATOM 308 CB SER A 38 5.732 5.915 -1.713 1.00 0.00 ATOM 309 OG SER A 38 5.149 5.479 -0.497 1.00 0.00 ATOM 310 O SER A 38 5.780 8.847 0.147 1.00 0.00 ATOM 311 C SER A 38 5.543 8.382 -0.966 1.00 0.00 ATOM 312 N VAL A 39 4.535 8.828 -1.678 1.00 0.00 ATOM 313 CA VAL A 39 3.649 9.874 -1.183 1.00 0.00 ATOM 314 CB VAL A 39 2.579 10.177 -2.249 1.00 0.00 ATOM 315 CG1 VAL A 39 1.480 11.052 -1.668 1.00 0.00 ATOM 316 CG2 VAL A 39 3.198 10.906 -3.431 1.00 0.00 ATOM 317 O VAL A 39 2.746 10.278 1.002 1.00 0.00 ATOM 318 C VAL A 39 2.872 9.487 0.069 1.00 0.00 ATOM 319 N ALA A 40 2.359 8.262 0.081 1.00 0.00 ATOM 320 CA ALA A 40 1.561 7.777 1.192 1.00 0.00 ATOM 321 CB ALA A 40 0.975 6.412 0.867 1.00 0.00 ATOM 322 O ALA A 40 1.860 7.989 3.561 1.00 0.00 ATOM 323 C ALA A 40 2.343 7.622 2.490 1.00 0.00 ATOM 324 N GLN A 41 3.550 7.080 2.396 1.00 0.00 ATOM 325 CA GLN A 41 4.375 6.881 3.582 1.00 0.00 ATOM 326 CB GLN A 41 5.681 6.176 3.213 1.00 0.00 ATOM 327 CG GLN A 41 6.574 5.862 4.402 1.00 0.00 ATOM 328 CD GLN A 41 5.946 4.863 5.356 1.00 0.00 ATOM 329 OE1 GLN A 41 5.409 3.841 4.930 1.00 0.00 ATOM 330 NE2 GLN A 41 6.013 5.157 6.648 1.00 0.00 ATOM 331 O GLN A 41 4.540 8.411 5.428 1.00 0.00 ATOM 332 C GLN A 41 4.710 8.232 4.220 1.00 0.00 ATOM 333 N LEU A 42 5.239 9.158 3.429 1.00 0.00 ATOM 334 CA LEU A 42 5.600 10.473 3.957 1.00 0.00 ATOM 335 CB LEU A 42 6.275 11.318 2.874 1.00 0.00 ATOM 336 CG LEU A 42 7.663 10.859 2.423 1.00 0.00 ATOM 337 CD1 LEU A 42 8.142 11.681 1.236 1.00 0.00 ATOM 338 CD2 LEU A 42 8.674 11.015 3.549 1.00 0.00 ATOM 339 O LEU A 42 4.449 11.935 5.478 1.00 0.00 ATOM 340 C LEU A 42 4.369 11.221 4.477 1.00 0.00 ATOM 341 N ALA A 43 3.235 11.049 3.802 1.00 0.00 ATOM 342 CA ALA A 43 2.014 11.712 4.249 1.00 0.00 ATOM 343 CB ALA A 43 0.858 11.470 3.289 1.00 0.00 ATOM 344 O ALA A 43 1.339 11.956 6.525 1.00 0.00 ATOM 345 C ALA A 43 1.653 11.181 5.627 1.00 0.00 ATOM 346 N ALA A 44 1.773 9.859 5.823 1.00 0.00 ATOM 347 CA ALA A 44 1.489 9.250 7.129 1.00 0.00 ATOM 348 CB ALA A 44 1.682 7.743 7.046 1.00 0.00 ATOM 349 O ALA A 44 2.029 10.134 9.289 1.00 0.00 ATOM 350 C ALA A 44 2.445 9.774 8.192 1.00 0.00 ATOM 351 N ALA A 45 3.739 9.832 7.881 1.00 0.00 ATOM 352 CA ALA A 45 4.720 10.321 8.837 1.00 0.00 ATOM 353 CB ALA A 45 6.117 10.130 8.285 1.00 0.00 ATOM 354 O ALA A 45 4.600 12.191 10.335 1.00 0.00 ATOM 355 C ALA A 45 4.508 11.797 9.181 1.00 0.00 ATOM 356 N ILE A 46 4.236 12.605 8.168 1.00 0.00 ATOM 357 CA ILE A 46 3.996 14.029 8.373 1.00 0.00 ATOM 358 CB ILE A 46 3.832 14.790 7.023 1.00 0.00 ATOM 359 CG1 ILE A 46 5.180 14.885 6.313 1.00 0.00 ATOM 360 CG2 ILE A 46 3.336 16.195 7.261 1.00 0.00 ATOM 361 CD1 ILE A 46 5.073 15.246 4.851 1.00 0.00 ATOM 362 O ILE A 46 2.759 14.965 10.199 1.00 0.00 ATOM 363 C ILE A 46 2.752 14.196 9.241 1.00 0.00 ATOM 364 N ALA A 47 1.675 13.457 8.929 1.00 0.00 ATOM 365 CA ALA A 47 0.444 13.553 9.712 1.00 0.00 ATOM 366 CB ALA A 47 -0.610 12.698 9.039 1.00 0.00 ATOM 367 O ALA A 47 0.108 13.710 12.093 1.00 0.00 ATOM 368 C ALA A 47 0.650 13.102 11.161 1.00 0.00 ATOM 369 N GLU A 48 1.432 12.029 11.333 1.00 0.00 ATOM 370 CA GLU A 48 1.726 11.496 12.660 1.00 0.00 ATOM 371 CB GLU A 48 2.398 10.125 12.550 1.00 0.00 ATOM 372 CG GLU A 48 1.485 9.028 12.030 1.00 0.00 ATOM 373 CD GLU A 48 0.289 8.787 12.930 1.00 0.00 ATOM 374 OE1 GLU A 48 0.494 8.554 14.140 1.00 0.00 ATOM 375 OE2 GLU A 48 -0.853 8.835 12.425 1.00 0.00 ATOM 376 O GLU A 48 3.759 12.715 12.921 1.00 0.00 ATOM 377 C GLU A 48 2.661 12.440 13.406 1.00 0.00 ATOM 378 N ARG A 49 3.009 11.746 16.191 1.00 0.00 ATOM 379 CA ARG A 49 4.270 11.517 16.886 1.00 0.00 ATOM 380 CB ARG A 49 4.379 10.021 17.343 1.00 0.00 ATOM 381 CG ARG A 49 3.119 9.502 18.152 1.00 0.00 ATOM 382 CD ARG A 49 3.204 7.965 18.389 1.00 0.00 ATOM 383 NE ARG A 49 3.544 7.297 17.127 1.00 0.00 ATOM 384 CZ ARG A 49 2.681 7.061 16.140 1.00 0.00 ATOM 385 NH1 ARG A 49 1.415 7.398 16.290 1.00 0.00 ATOM 386 NH2 ARG A 49 3.106 6.573 14.992 1.00 0.00 ATOM 387 O ARG A 49 6.614 11.268 16.429 1.00 0.00 ATOM 388 C ARG A 49 5.521 11.675 16.030 1.00 0.00 ATOM 389 N ARG A 50 5.336 12.228 14.836 1.00 0.00 ATOM 390 CA ARG A 50 6.426 12.469 13.900 1.00 0.00 ATOM 391 CB ARG A 50 6.266 11.597 12.653 1.00 0.00 ATOM 392 CG ARG A 50 6.357 10.104 12.925 1.00 0.00 ATOM 393 CD ARG A 50 6.132 9.298 11.656 1.00 0.00 ATOM 394 NE ARG A 50 6.236 7.860 11.896 1.00 0.00 ATOM 395 CZ ARG A 50 6.050 6.932 10.962 1.00 0.00 ATOM 396 NH1 ARG A 50 6.166 5.648 11.273 1.00 0.00 ATOM 397 NH2 ARG A 50 5.748 7.290 9.721 1.00 0.00 ATOM 398 O ARG A 50 5.352 14.562 13.446 1.00 0.00 ATOM 399 C ARG A 50 6.407 13.927 13.484 1.00 0.00 ATOM 400 N GLY A 51 7.582 14.450 13.162 1.00 0.00 ATOM 401 CA GLY A 51 7.692 15.830 12.748 1.00 0.00 ATOM 402 O GLY A 51 9.936 15.431 11.967 1.00 0.00 ATOM 403 C GLY A 51 8.848 15.977 11.762 1.00 0.00 ATOM 404 N SER A 52 8.583 16.692 10.671 1.00 0.00 ATOM 405 CA SER A 52 9.576 16.938 9.630 1.00 0.00 ATOM 406 CB SER A 52 9.042 16.498 8.266 1.00 0.00 ATOM 407 OG SER A 52 9.939 16.851 7.228 1.00 0.00 ATOM 408 O SER A 52 8.989 19.243 9.779 1.00 0.00 ATOM 409 C SER A 52 9.885 18.426 9.596 1.00 0.00 ATOM 410 N THR A 53 11.098 18.445 9.405 1.00 0.00 ATOM 411 CA THR A 53 11.724 19.756 9.271 1.00 0.00 ATOM 412 CB THR A 53 12.575 20.164 10.489 1.00 0.00 ATOM 413 CG2 THR A 53 11.773 20.043 11.780 1.00 0.00 ATOM 414 OG1 THR A 53 13.670 19.226 10.554 1.00 0.00 ATOM 415 O THR A 53 13.195 18.909 7.584 1.00 0.00 ATOM 416 C THR A 53 12.485 19.842 7.959 1.00 0.00 ATOM 417 N VAL A 54 12.262 21.008 7.379 1.00 0.00 ATOM 418 CA VAL A 54 13.022 21.268 6.164 1.00 0.00 ATOM 419 CB VAL A 54 12.185 21.888 5.029 1.00 0.00 ATOM 420 CG1 VAL A 54 13.064 22.192 3.825 1.00 0.00 ATOM 421 CG2 VAL A 54 11.088 20.930 4.591 1.00 0.00 ATOM 422 O VAL A 54 13.863 23.270 7.243 1.00 0.00 ATOM 423 C VAL A 54 14.107 22.327 6.479 1.00 0.00 ATOM 424 N ALA A 55 15.202 22.090 5.823 1.00 0.00 ATOM 425 CA ALA A 55 16.304 23.036 6.024 1.00 0.00 ATOM 426 CB ALA A 55 17.528 22.271 6.503 1.00 0.00 ATOM 427 O ALA A 55 16.576 23.127 3.639 1.00 0.00 ATOM 428 C ALA A 55 16.575 23.749 4.702 1.00 0.00 ATOM 429 N VAL A 56 16.783 25.058 4.779 1.00 0.00 ATOM 430 CA VAL A 56 17.024 25.876 3.594 1.00 0.00 ATOM 431 CB VAL A 56 15.908 26.919 3.391 1.00 0.00 ATOM 432 CG1 VAL A 56 14.574 26.231 3.153 1.00 0.00 ATOM 433 CG2 VAL A 56 15.781 27.806 4.620 1.00 0.00 ATOM 434 O VAL A 56 18.593 27.329 4.683 1.00 0.00 ATOM 435 C VAL A 56 18.269 26.748 3.643 1.00 0.00 ATOM 436 N HIS A 57 18.971 26.819 2.521 1.00 0.00 ATOM 437 CA HIS A 57 20.151 27.663 2.419 1.00 0.00 ATOM 438 CB HIS A 57 21.393 26.795 2.196 1.00 0.00 ATOM 439 CG HIS A 57 22.682 27.565 2.226 1.00 0.00 ATOM 440 CD2 HIS A 57 23.078 28.659 1.530 1.00 0.00 ATOM 441 ND1 HIS A 57 23.733 27.232 3.056 1.00 0.00 ATOM 442 CE1 HIS A 57 24.721 28.091 2.869 1.00 0.00 ATOM 443 NE2 HIS A 57 24.350 28.968 1.950 1.00 0.00 ATOM 444 O HIS A 57 19.664 28.284 0.152 1.00 0.00 ATOM 445 C HIS A 57 19.896 28.667 1.299 1.00 0.00 ATOM 446 N ASP A 58 19.983 29.898 1.654 1.00 0.00 ATOM 447 CA ASP A 58 19.736 30.943 0.669 1.00 0.00 ATOM 448 CB ASP A 58 20.781 30.885 -0.447 1.00 0.00 ATOM 449 CG ASP A 58 20.878 32.184 -1.223 1.00 0.00 ATOM 450 OD1 ASP A 58 20.389 33.216 -0.716 1.00 0.00 ATOM 451 OD2 ASP A 58 21.444 32.170 -2.335 1.00 0.00 ATOM 452 O ASP A 58 18.120 31.178 -1.094 1.00 0.00 ATOM 453 C ASP A 58 18.336 30.841 0.070 1.00 0.00 ATOM 454 N GLY A 59 17.357 30.367 0.875 1.00 0.00 ATOM 455 CA GLY A 59 15.987 30.238 0.412 1.00 0.00 ATOM 456 O GLY A 59 14.646 28.749 -0.904 1.00 0.00 ATOM 457 C GLY A 59 15.757 28.987 -0.430 1.00 0.00 ATOM 458 N GLN A 60 16.794 28.170 -0.584 1.00 0.00 ATOM 459 CA GLN A 60 16.690 26.938 -1.363 1.00 0.00 ATOM 460 CB GLN A 60 17.894 26.788 -2.294 1.00 0.00 ATOM 461 CG GLN A 60 18.003 27.877 -3.350 1.00 0.00 ATOM 462 CD GLN A 60 16.826 27.883 -4.304 1.00 0.00 ATOM 463 OE1 GLN A 60 16.502 26.862 -4.912 1.00 0.00 ATOM 464 NE2 GLN A 60 16.180 29.036 -4.439 1.00 0.00 ATOM 465 O GLN A 60 17.430 25.585 0.469 1.00 0.00 ATOM 466 C GLN A 60 16.638 25.706 -0.460 1.00 0.00 ATOM 467 N VAL A 61 15.700 24.802 -0.738 1.00 0.00 ATOM 468 CA VAL A 61 15.555 23.583 0.053 1.00 0.00 ATOM 469 CB VAL A 61 14.352 22.744 -0.418 1.00 0.00 ATOM 470 CG1 VAL A 61 14.281 21.434 0.352 1.00 0.00 ATOM 471 CG2 VAL A 61 13.053 23.504 -0.193 1.00 0.00 ATOM 472 O VAL A 61 17.195 22.309 -1.168 1.00 0.00 ATOM 473 C VAL A 61 16.806 22.716 -0.069 1.00 0.00 ATOM 474 N LEU A 62 17.428 22.423 1.071 1.00 0.00 ATOM 475 CA LEU A 62 18.656 21.637 1.089 1.00 0.00 ATOM 476 CB LEU A 62 19.699 22.323 1.973 1.00 0.00 ATOM 477 CG LEU A 62 20.014 23.779 1.604 1.00 0.00 ATOM 478 CD1 LEU A 62 20.957 24.453 2.624 1.00 0.00 ATOM 479 CD2 LEU A 62 20.649 23.780 0.195 1.00 0.00 ATOM 480 O LEU A 62 19.369 19.382 1.436 1.00 0.00 ATOM 481 C LEU A 62 18.522 20.235 1.682 1.00 0.00 ATOM 482 N GLY A 63 17.465 19.987 2.445 1.00 0.00 ATOM 483 CA GLY A 63 17.299 18.669 3.032 1.00 0.00 ATOM 484 O GLY A 63 15.507 19.632 4.270 1.00 0.00 ATOM 485 C GLY A 63 16.217 18.649 4.086 1.00 0.00 ATOM 486 N PHE A 64 16.066 17.527 4.777 1.00 0.00 ATOM 487 CA PHE A 64 15.045 17.449 5.811 1.00 0.00 ATOM 488 CB PHE A 64 13.692 17.079 5.201 1.00 0.00 ATOM 489 CG PHE A 64 13.678 15.739 4.523 1.00 0.00 ATOM 490 CD1 PHE A 64 13.304 14.601 5.216 1.00 0.00 ATOM 491 CD2 PHE A 64 14.041 15.614 3.194 1.00 0.00 ATOM 492 CE1 PHE A 64 13.291 13.366 4.594 1.00 0.00 ATOM 493 CE2 PHE A 64 14.030 14.380 2.571 1.00 0.00 ATOM 494 CZ PHE A 64 13.656 13.259 3.265 1.00 0.00 ATOM 495 O PHE A 64 16.295 15.592 6.681 1.00 0.00 ATOM 496 C PHE A 64 15.383 16.404 6.856 1.00 0.00 ATOM 497 N ALA A 65 14.626 16.439 7.945 1.00 0.00 ATOM 498 CA ALA A 65 14.786 15.487 9.029 1.00 0.00 ATOM 499 CB ALA A 65 15.577 16.110 10.169 1.00 0.00 ATOM 500 O ALA A 65 12.457 15.927 9.468 1.00 0.00 ATOM 501 C ALA A 65 13.383 15.107 9.502 1.00 0.00 ATOM 502 N ASN A 66 13.218 13.851 9.901 1.00 0.00 ATOM 503 CA ASN A 66 11.946 13.380 10.440 1.00 0.00 ATOM 504 CB ASN A 66 11.313 12.353 9.500 1.00 0.00 ATOM 505 CG ASN A 66 11.027 12.921 8.124 1.00 0.00 ATOM 506 ND2 ASN A 66 11.809 12.501 7.137 1.00 0.00 ATOM 507 OD1 ASN A 66 10.112 13.727 7.954 1.00 0.00 ATOM 508 O ASN A 66 13.083 11.844 11.873 1.00 0.00 ATOM 509 C ASN A 66 12.245 12.744 11.784 1.00 0.00 ATOM 510 N PHE A 67 11.569 13.216 12.826 1.00 0.00 ATOM 511 CA PHE A 67 11.761 12.670 14.165 1.00 0.00 ATOM 512 CB PHE A 67 12.166 13.777 15.139 1.00 0.00 ATOM 513 CG PHE A 67 11.114 14.830 15.332 1.00 0.00 ATOM 514 CD1 PHE A 67 10.157 14.701 16.323 1.00 0.00 ATOM 515 CD2 PHE A 67 11.080 15.952 14.521 1.00 0.00 ATOM 516 CE1 PHE A 67 9.188 15.670 16.500 1.00 0.00 ATOM 517 CE2 PHE A 67 10.111 16.922 14.698 1.00 0.00 ATOM 518 CZ PHE A 67 9.168 16.784 15.682 1.00 0.00 ATOM 519 O PHE A 67 9.373 12.430 14.273 1.00 0.00 ATOM 520 C PHE A 67 10.468 12.028 14.673 1.00 0.00 ATOM 521 N TYR A 68 10.611 11.005 15.518 1.00 0.00 ATOM 522 CA TYR A 68 9.477 10.291 16.115 1.00 0.00 ATOM 523 CB TYR A 68 9.472 8.852 15.630 1.00 0.00 ATOM 524 CG TYR A 68 9.821 8.716 14.166 1.00 0.00 ATOM 525 CD1 TYR A 68 10.830 7.849 13.755 1.00 0.00 ATOM 526 CD2 TYR A 68 9.144 9.451 13.191 1.00 0.00 ATOM 527 CE1 TYR A 68 11.160 7.712 12.416 1.00 0.00 ATOM 528 CE2 TYR A 68 9.470 9.323 11.838 1.00 0.00 ATOM 529 CZ TYR A 68 10.479 8.447 11.465 1.00 0.00 ATOM 530 OH TYR A 68 10.813 8.292 10.139 1.00 0.00 ATOM 531 O TYR A 68 10.775 10.084 18.120 1.00 0.00 ATOM 532 C TYR A 68 9.656 10.177 17.619 1.00 0.00 ATOM 533 N GLN A 69 8.532 10.156 18.323 1.00 0.00 ATOM 534 CA GLN A 69 8.568 9.954 19.771 1.00 0.00 ATOM 535 CB GLN A 69 7.727 11.159 20.393 1.00 0.00 ATOM 536 CG GLN A 69 6.272 10.968 19.993 1.00 0.00 ATOM 537 CD GLN A 69 5.357 12.012 20.581 1.00 0.00 ATOM 538 OE1 GLN A 69 4.959 11.925 21.744 1.00 0.00 ATOM 539 NE2 GLN A 69 5.025 13.018 19.783 1.00 0.00 ATOM 540 O GLN A 69 7.589 7.774 19.858 1.00 0.00 ATOM 541 C GLN A 69 8.560 8.475 20.145 1.00 0.00 ATOM 542 N TRP A 70 9.645 7.998 20.755 1.00 0.00 ATOM 543 CA TRP A 70 9.712 6.613 21.217 1.00 0.00 ATOM 544 CB TRP A 70 10.327 5.636 20.456 1.00 0.00 ATOM 545 CG TRP A 70 9.395 5.165 19.411 1.00 0.00 ATOM 546 CD1 TRP A 70 8.029 5.116 19.481 1.00 0.00 ATOM 547 CD2 TRP A 70 9.755 4.653 18.127 1.00 0.00 ATOM 548 CE2 TRP A 70 8.554 4.310 17.462 1.00 0.00 ATOM 549 CE3 TRP A 70 10.977 4.453 17.471 1.00 0.00 ATOM 550 NE1 TRP A 70 7.517 4.596 18.312 1.00 0.00 ATOM 551 CZ2 TRP A 70 8.539 3.781 16.166 1.00 0.00 ATOM 552 CZ3 TRP A 70 10.961 3.923 16.176 1.00 0.00 ATOM 553 CH2 TRP A 70 9.747 3.598 15.543 1.00 0.00 ATOM 554 O TRP A 70 10.383 6.672 23.543 1.00 0.00 ATOM 555 C TRP A 70 9.452 6.679 22.727 1.00 0.00 ATOM 556 N GLN A 71 8.106 6.921 23.005 1.00 0.00 ATOM 557 CA GLN A 71 7.609 7.139 24.358 1.00 0.00 ATOM 558 CB GLN A 71 6.107 7.145 24.481 1.00 0.00 ATOM 559 CG GLN A 71 5.371 5.994 23.828 1.00 0.00 ATOM 560 CD GLN A 71 4.976 6.315 22.406 1.00 0.00 ATOM 561 OE1 GLN A 71 3.884 5.956 21.954 1.00 0.00 ATOM 562 NE2 GLN A 71 5.862 6.990 21.690 1.00 0.00 ATOM 563 O GLN A 71 8.271 6.291 26.511 1.00 0.00 ATOM 564 C GLN A 71 7.969 6.027 25.340 1.00 0.00 ATOM 565 N HIS A 72 7.948 4.805 24.838 1.00 0.00 ATOM 566 CA HIS A 72 8.266 3.591 25.594 1.00 0.00 ATOM 567 CB HIS A 72 7.879 2.336 24.778 1.00 0.00 ATOM 568 CG HIS A 72 6.507 2.475 24.283 1.00 0.00 ATOM 569 CD2 HIS A 72 6.003 2.288 23.036 1.00 0.00 ATOM 570 ND1 HIS A 72 5.504 2.856 25.138 1.00 0.00 ATOM 571 CE1 HIS A 72 4.395 2.883 24.406 1.00 0.00 ATOM 572 NE2 HIS A 72 4.666 2.548 23.135 1.00 0.00 ATOM 573 O HIS A 72 10.040 2.925 27.092 1.00 0.00 ATOM 574 C HIS A 72 9.715 3.598 26.110 1.00 0.00 ATOM 575 N GLY A 73 10.584 4.350 25.437 1.00 0.00 ATOM 576 CA GLY A 73 11.995 4.425 25.807 1.00 0.00 ATOM 577 O GLY A 73 13.579 6.211 25.516 1.00 0.00 ATOM 578 C GLY A 73 12.449 5.873 25.904 1.00 0.00 ATOM 579 N ASP A 74 11.507 6.674 26.552 1.00 0.00 ATOM 580 CA ASP A 74 11.757 8.098 26.802 1.00 0.00 ATOM 581 CB ASP A 74 11.032 8.040 28.438 1.00 0.00 ATOM 582 CG ASP A 74 12.130 7.685 29.358 1.00 0.00 ATOM 583 OD1 ASP A 74 13.298 7.906 29.017 1.00 0.00 ATOM 584 OD2 ASP A 74 11.813 7.211 30.468 1.00 0.00 ATOM 585 O ASP A 74 13.703 9.403 26.262 1.00 0.00 ATOM 586 C ASP A 74 12.756 8.736 25.843 1.00 0.00 ATOM 587 N PHE A 75 12.458 8.304 24.810 1.00 0.00 ATOM 588 CA PHE A 75 13.414 8.475 23.727 1.00 0.00 ATOM 589 CB PHE A 75 13.739 7.213 22.926 1.00 0.00 ATOM 590 CG PHE A 75 14.519 6.213 23.648 1.00 0.00 ATOM 591 CD1 PHE A 75 15.743 6.500 24.258 1.00 0.00 ATOM 592 CD2 PHE A 75 14.117 4.875 23.662 1.00 0.00 ATOM 593 CE1 PHE A 75 16.541 5.516 24.869 1.00 0.00 ATOM 594 CE2 PHE A 75 14.888 3.888 24.291 1.00 0.00 ATOM 595 CZ PHE A 75 16.094 4.197 24.901 1.00 0.00 ATOM 596 O PHE A 75 11.615 9.235 22.329 1.00 0.00 ATOM 597 C PHE A 75 12.831 9.152 22.494 1.00 0.00 ATOM 598 N CYS A 76 13.716 9.639 21.627 1.00 0.00 ATOM 599 CA CYS A 76 13.300 10.262 20.380 1.00 0.00 ATOM 600 CB CYS A 76 13.543 11.772 20.430 1.00 0.00 ATOM 601 SG CYS A 76 12.582 12.643 21.688 1.00 0.00 ATOM 602 O CYS A 76 15.351 9.471 19.454 1.00 0.00 ATOM 603 C CYS A 76 14.147 9.628 19.291 1.00 0.00 ATOM 604 N ALA A 77 13.529 9.315 18.160 1.00 0.00 ATOM 605 CA ALA A 77 14.252 8.711 17.053 1.00 0.00 ATOM 606 CB ALA A 77 13.657 7.314 16.740 1.00 0.00 ATOM 607 O ALA A 77 13.326 10.241 15.444 1.00 0.00 ATOM 608 C ALA A 77 14.314 9.612 15.835 1.00 0.00 ATOM 609 N LEU A 78 15.582 9.803 15.360 1.00 0.00 ATOM 610 CA LEU A 78 15.855 10.424 14.061 1.00 0.00 ATOM 611 CB LEU A 78 17.258 11.030 14.093 1.00 0.00 ATOM 612 CG LEU A 78 17.648 11.899 12.894 1.00 0.00 ATOM 613 CD1 LEU A 78 16.738 13.113 12.792 1.00 0.00 ATOM 614 CD2 LEU A 78 19.082 12.389 13.029 1.00 0.00 ATOM 615 O LEU A 78 16.575 8.494 12.839 1.00 0.00 ATOM 616 C LEU A 78 15.671 9.303 13.043 1.00 0.00 ATOM 617 N GLY A 79 14.487 9.227 12.440 1.00 0.00 ATOM 618 CA GLY A 79 14.196 8.168 11.484 1.00 0.00 ATOM 619 O GLY A 79 15.305 7.525 9.456 1.00 0.00 ATOM 620 C GLY A 79 14.793 8.438 10.114 1.00 0.00 ATOM 621 N ASN A 80 14.720 9.698 9.691 1.00 0.00 ATOM 622 CA ASN A 80 15.239 10.122 8.397 1.00 0.00 ATOM 623 CB ASN A 80 14.100 10.290 7.391 1.00 0.00 ATOM 624 CG ASN A 80 13.352 8.997 7.135 1.00 0.00 ATOM 625 ND2 ASN A 80 12.175 8.866 7.738 1.00 0.00 ATOM 626 OD1 ASN A 80 13.828 8.128 6.406 1.00 0.00 ATOM 627 O ASN A 80 15.498 12.365 9.181 1.00 0.00 ATOM 628 C ASN A 80 15.963 11.454 8.505 1.00 0.00 ATOM 629 N MET A 81 17.099 11.560 7.827 1.00 0.00 ATOM 630 CA MET A 81 17.863 12.798 7.801 1.00 0.00 ATOM 631 CB MET A 81 18.357 13.507 8.759 1.00 0.00 ATOM 632 CG MET A 81 19.338 14.589 8.303 1.00 0.00 ATOM 633 SD MET A 81 21.038 14.117 8.531 1.00 0.00 ATOM 634 CE MET A 81 21.205 14.556 10.382 1.00 0.00 ATOM 635 O MET A 81 19.473 11.926 6.226 1.00 0.00 ATOM 636 C MET A 81 18.631 12.791 6.487 1.00 0.00 ATOM 637 N MET A 82 18.295 13.757 5.639 1.00 0.00 ATOM 638 CA MET A 82 18.883 13.834 4.311 1.00 0.00 ATOM 639 CB MET A 82 17.921 13.249 3.274 1.00 0.00 ATOM 640 CG MET A 82 17.689 11.754 3.416 1.00 0.00 ATOM 641 SD MET A 82 16.552 11.106 2.178 1.00 0.00 ATOM 642 CE MET A 82 16.265 9.455 2.811 1.00 0.00 ATOM 643 O MET A 82 18.399 16.136 3.980 1.00 0.00 ATOM 644 C MET A 82 19.211 15.231 3.841 1.00 0.00 ATOM 645 N VAL A 83 20.385 15.384 3.240 1.00 0.00 ATOM 646 CA VAL A 83 20.791 16.656 2.676 1.00 0.00 ATOM 647 CB VAL A 83 22.044 17.211 3.377 1.00 0.00 ATOM 648 CG1 VAL A 83 22.476 18.522 2.739 1.00 0.00 ATOM 649 CG2 VAL A 83 21.761 17.465 4.851 1.00 0.00 ATOM 650 O VAL A 83 21.743 15.357 0.893 1.00 0.00 ATOM 651 C VAL A 83 21.078 16.349 1.209 1.00 0.00 ATOM 652 N ALA A 84 20.569 17.194 0.316 1.00 0.00 ATOM 653 CA ALA A 84 20.795 17.010 -1.114 1.00 0.00 ATOM 654 CB ALA A 84 20.133 18.128 -1.904 1.00 0.00 ATOM 655 O ALA A 84 23.017 17.797 -0.741 1.00 0.00 ATOM 656 C ALA A 84 22.294 17.015 -1.347 1.00 0.00 ATOM 657 N PRO A 85 22.762 16.140 -2.229 1.00 0.00 ATOM 658 CA PRO A 85 24.186 16.038 -2.507 1.00 0.00 ATOM 659 CB PRO A 85 24.247 15.255 -3.820 1.00 0.00 ATOM 660 CG PRO A 85 23.082 14.327 -3.756 1.00 0.00 ATOM 661 CD PRO A 85 21.939 15.129 -3.202 1.00 0.00 ATOM 662 O PRO A 85 25.988 17.584 -2.103 1.00 0.00 ATOM 663 C PRO A 85 24.928 17.360 -2.720 1.00 0.00 ATOM 664 N ALA A 86 24.403 18.258 -3.530 1.00 0.00 ATOM 665 CA ALA A 86 25.044 19.547 -3.751 1.00 0.00 ATOM 666 CB ALA A 86 24.308 20.327 -4.831 1.00 0.00 ATOM 667 O ALA A 86 25.984 21.324 -2.446 1.00 0.00 ATOM 668 C ALA A 86 25.132 20.436 -2.511 1.00 0.00 ATOM 669 N ALA A 87 24.257 20.179 -1.513 1.00 0.00 ATOM 670 CA ALA A 87 24.251 21.009 -0.309 1.00 0.00 ATOM 671 CB ALA A 87 22.825 21.263 0.156 1.00 0.00 ATOM 672 O ALA A 87 25.021 20.927 1.937 1.00 0.00 ATOM 673 C ALA A 87 24.989 20.366 0.846 1.00 0.00 ATOM 674 N ARG A 88 25.608 19.197 0.629 1.00 0.00 ATOM 675 CA ARG A 88 26.334 18.512 1.704 1.00 0.00 ATOM 676 CB ARG A 88 26.286 17.005 1.479 1.00 0.00 ATOM 677 CG ARG A 88 24.901 16.405 1.517 1.00 0.00 ATOM 678 CD ARG A 88 24.914 14.998 0.946 1.00 0.00 ATOM 679 NE ARG A 88 25.871 14.125 1.614 1.00 0.00 ATOM 680 CZ ARG A 88 26.079 12.855 1.280 1.00 0.00 ATOM 681 NH1 ARG A 88 25.396 12.310 0.282 1.00 0.00 ATOM 682 NH2 ARG A 88 26.967 12.131 1.946 1.00 0.00 ATOM 683 O ARG A 88 28.292 19.815 1.125 1.00 0.00 ATOM 684 C ARG A 88 27.701 19.135 1.985 1.00 0.00 ATOM 685 N GLY A 89 28.217 18.918 3.231 1.00 0.00 ATOM 686 CA GLY A 89 29.516 19.438 3.630 1.00 0.00 ATOM 687 O GLY A 89 30.521 21.613 3.763 1.00 0.00 ATOM 688 C GLY A 89 29.497 20.940 3.908 1.00 0.00 ATOM 689 N LEU A 90 28.341 21.461 4.310 1.00 0.00 ATOM 690 CA LEU A 90 28.204 22.883 4.617 1.00 0.00 ATOM 691 CB LEU A 90 27.328 23.564 3.563 1.00 0.00 ATOM 692 CG LEU A 90 27.897 23.623 2.144 1.00 0.00 ATOM 693 CD1 LEU A 90 26.848 24.129 1.165 1.00 0.00 ATOM 694 CD2 LEU A 90 29.094 24.558 2.083 1.00 0.00 ATOM 695 O LEU A 90 27.145 24.255 6.270 1.00 0.00 ATOM 696 C LEU A 90 27.574 23.137 5.978 1.00 0.00 ATOM 697 N GLY A 91 27.512 22.100 6.805 1.00 0.00 ATOM 698 CA GLY A 91 26.942 22.251 8.128 1.00 0.00 ATOM 699 O GLY A 91 24.874 22.208 9.307 1.00 0.00 ATOM 700 C GLY A 91 25.434 22.094 8.216 1.00 0.00 ATOM 701 N VAL A 92 24.769 21.778 7.106 1.00 0.00 ATOM 702 CA VAL A 92 23.311 21.626 7.132 1.00 0.00 ATOM 703 CB VAL A 92 22.723 21.577 5.710 1.00 0.00 ATOM 704 CG1 VAL A 92 21.241 21.236 5.757 1.00 0.00 ATOM 705 CG2 VAL A 92 22.885 22.922 5.019 1.00 0.00 ATOM 706 O VAL A 92 21.950 20.396 8.687 1.00 0.00 ATOM 707 C VAL A 92 22.911 20.371 7.905 1.00 0.00 ATOM 708 N ALA A 93 23.622 19.278 7.698 1.00 0.00 ATOM 709 CA ALA A 93 23.304 18.037 8.421 1.00 0.00 ATOM 710 CB ALA A 93 24.217 16.931 7.975 1.00 0.00 ATOM 711 O ALA A 93 22.520 17.823 10.673 1.00 0.00 ATOM 712 C ALA A 93 23.388 18.260 9.921 1.00 0.00 ATOM 713 N ARG A 94 24.439 18.957 10.353 1.00 0.00 ATOM 714 CA ARG A 94 24.634 19.259 11.770 1.00 0.00 ATOM 715 CB ARG A 94 25.903 20.092 11.970 1.00 0.00 ATOM 716 CG ARG A 94 27.193 19.321 11.742 1.00 0.00 ATOM 717 CD ARG A 94 28.408 20.221 11.887 1.00 0.00 ATOM 718 NE ARG A 94 29.655 19.502 11.643 1.00 0.00 ATOM 719 CZ ARG A 94 30.857 20.071 11.634 1.00 0.00 ATOM 720 NH1 ARG A 94 31.937 19.336 11.403 1.00 0.00 ATOM 721 NH2 ARG A 94 30.975 21.373 11.854 1.00 0.00 ATOM 722 O ARG A 94 22.913 19.742 13.366 1.00 0.00 ATOM 723 C ARG A 94 23.431 20.041 12.291 1.00 0.00 ATOM 724 N TYR A 95 22.994 21.044 11.527 1.00 0.00 ATOM 725 CA TYR A 95 21.837 21.853 11.905 1.00 0.00 ATOM 726 CB TYR A 95 21.519 22.879 10.815 1.00 0.00 ATOM 727 CG TYR A 95 20.313 23.739 11.116 1.00 0.00 ATOM 728 CD1 TYR A 95 20.408 24.822 11.981 1.00 0.00 ATOM 729 CD2 TYR A 95 19.081 23.464 10.536 1.00 0.00 ATOM 730 CE1 TYR A 95 19.312 25.614 12.261 1.00 0.00 ATOM 731 CE2 TYR A 95 17.973 24.245 10.806 1.00 0.00 ATOM 732 CZ TYR A 95 18.097 25.327 11.676 1.00 0.00 ATOM 733 OH TYR A 95 17.003 26.114 11.954 1.00 0.00 ATOM 734 O TYR A 95 19.889 21.131 13.111 1.00 0.00 ATOM 735 C TYR A 95 20.598 20.987 12.115 1.00 0.00 ATOM 736 N LEU A 96 20.325 20.094 11.177 1.00 0.00 ATOM 737 CA LEU A 96 19.166 19.218 11.288 1.00 0.00 ATOM 738 CB LEU A 96 19.022 18.344 10.041 1.00 0.00 ATOM 739 CG LEU A 96 18.618 19.062 8.752 1.00 0.00 ATOM 740 CD1 LEU A 96 18.690 18.115 7.563 1.00 0.00 ATOM 741 CD2 LEU A 96 17.196 19.590 8.853 1.00 0.00 ATOM 742 O LEU A 96 18.285 18.091 13.206 1.00 0.00 ATOM 743 C LEU A 96 19.269 18.299 12.488 1.00 0.00 ATOM 744 N ILE A 97 20.450 17.737 12.712 1.00 0.00 ATOM 745 CA ILE A 97 20.618 16.829 13.843 1.00 0.00 ATOM 746 CB ILE A 97 22.003 16.154 13.825 1.00 0.00 ATOM 747 CG1 ILE A 97 22.118 15.205 12.630 1.00 0.00 ATOM 748 CG2 ILE A 97 22.222 15.354 15.100 1.00 0.00 ATOM 749 CD1 ILE A 97 23.523 14.702 12.384 1.00 0.00 ATOM 750 O ILE A 97 19.645 17.155 16.035 1.00 0.00 ATOM 751 C ILE A 97 20.412 17.590 15.158 1.00 0.00 ATOM 752 N GLY A 98 21.080 18.741 15.280 1.00 0.00 ATOM 753 CA GLY A 98 20.955 19.540 16.484 1.00 0.00 ATOM 754 O GLY A 98 19.066 19.998 17.901 1.00 0.00 ATOM 755 C GLY A 98 19.499 19.913 16.747 1.00 0.00 ATOM 756 N VAL A 99 18.738 20.155 15.687 1.00 0.00 ATOM 757 CA VAL A 99 17.336 20.493 15.847 1.00 0.00 ATOM 758 CB VAL A 99 16.710 20.836 14.481 1.00 0.00 ATOM 759 CG1 VAL A 99 15.210 21.038 14.619 1.00 0.00 ATOM 760 CG2 VAL A 99 17.319 22.113 13.923 1.00 0.00 ATOM 761 O VAL A 99 15.796 19.441 17.357 1.00 0.00 ATOM 762 C VAL A 99 16.636 19.287 16.469 1.00 0.00 ATOM 763 N MET A 100 16.998 18.086 16.016 1.00 0.00 ATOM 764 CA MET A 100 16.400 16.862 16.567 1.00 0.00 ATOM 765 CB MET A 100 16.930 15.630 15.831 1.00 0.00 ATOM 766 CG MET A 100 16.487 15.535 14.380 1.00 0.00 ATOM 767 SD MET A 100 14.695 15.407 14.208 1.00 0.00 ATOM 768 CE MET A 100 14.270 17.109 13.850 1.00 0.00 ATOM 769 O MET A 100 15.908 16.381 18.863 1.00 0.00 ATOM 770 C MET A 100 16.745 16.763 18.048 1.00 0.00 ATOM 771 N GLU A 101 17.977 17.130 18.393 1.00 0.00 ATOM 772 CA GLU A 101 18.414 17.088 19.791 1.00 0.00 ATOM 773 CB GLU A 101 19.905 17.414 19.895 1.00 0.00 ATOM 774 CG GLU A 101 20.816 16.337 19.330 1.00 0.00 ATOM 775 CD GLU A 101 22.276 16.746 19.338 1.00 0.00 ATOM 776 OE1 GLU A 101 22.568 17.898 19.719 1.00 0.00 ATOM 777 OE2 GLU A 101 23.128 15.912 18.962 1.00 0.00 ATOM 778 O GLU A 101 17.212 17.823 21.742 1.00 0.00 ATOM 779 C GLU A 101 17.620 18.102 20.607 1.00 0.00 ATOM 780 N ASN A 102 17.413 19.277 20.025 1.00 0.00 ATOM 781 CA ASN A 102 16.675 20.347 20.687 1.00 0.00 ATOM 782 CB ASN A 102 16.652 21.603 19.814 1.00 0.00 ATOM 783 CG ASN A 102 17.996 22.303 19.765 1.00 0.00 ATOM 784 ND2 ASN A 102 18.193 23.132 18.747 1.00 0.00 ATOM 785 OD1 ASN A 102 18.845 22.100 20.633 1.00 0.00 ATOM 786 O ASN A 102 14.684 20.167 22.016 1.00 0.00 ATOM 787 C ASN A 102 15.238 19.903 20.950 1.00 0.00 ATOM 788 N LEU A 103 14.639 19.223 19.978 1.00 0.00 ATOM 789 CA LEU A 103 13.276 18.736 20.137 1.00 0.00 ATOM 790 CB LEU A 103 12.776 18.110 18.834 1.00 0.00 ATOM 791 CG LEU A 103 12.537 19.071 17.669 1.00 0.00 ATOM 792 CD1 LEU A 103 12.218 18.303 16.394 1.00 0.00 ATOM 793 CD2 LEU A 103 11.371 20.001 17.968 1.00 0.00 ATOM 794 O LEU A 103 12.182 17.591 21.930 1.00 0.00 ATOM 795 C LEU A 103 13.185 17.673 21.220 1.00 0.00 ATOM 796 N ALA A 104 14.224 16.841 21.319 1.00 0.00 ATOM 797 CA ALA A 104 14.291 15.789 22.324 1.00 0.00 ATOM 798 CB ALA A 104 15.550 14.939 22.149 1.00 0.00 ATOM 799 O ALA A 104 13.597 15.937 24.623 1.00 0.00 ATOM 800 C ALA A 104 14.270 16.422 23.716 1.00 0.00 ATOM 801 N ARG A 105 14.997 17.522 23.878 1.00 0.00 ATOM 802 CA ARG A 105 15.057 18.191 25.168 1.00 0.00 ATOM 803 CB ARG A 105 16.245 19.186 25.201 1.00 0.00 ATOM 804 CG ARG A 105 17.614 18.530 25.396 1.00 0.00 ATOM 805 CD ARG A 105 18.720 19.530 25.779 1.00 0.00 ATOM 806 NE ARG A 105 18.993 20.517 24.734 1.00 0.00 ATOM 807 CZ ARG A 105 19.837 20.356 23.716 1.00 0.00 ATOM 808 NH1 ARG A 105 19.994 21.340 22.832 1.00 0.00 ATOM 809 NH2 ARG A 105 20.512 19.231 23.568 1.00 0.00 ATOM 810 O ARG A 105 13.265 18.877 26.611 1.00 0.00 ATOM 811 C ARG A 105 13.774 18.962 25.496 1.00 0.00 ATOM 812 N GLU A 106 13.241 19.688 24.516 1.00 0.00 ATOM 813 CA GLU A 106 12.029 20.466 24.720 1.00 0.00 ATOM 814 CB GLU A 106 11.729 21.311 23.480 1.00 0.00 ATOM 815 CG GLU A 106 10.501 22.195 23.599 1.00 0.00 ATOM 816 CD GLU A 106 10.522 23.063 24.845 1.00 0.00 ATOM 817 OE1 GLU A 106 11.595 23.617 25.173 1.00 0.00 ATOM 818 OE2 GLU A 106 9.462 23.198 25.492 1.00 0.00 ATOM 819 O GLU A 106 10.096 19.733 25.948 1.00 0.00 ATOM 820 C GLU A 106 10.863 19.527 25.013 1.00 0.00 ATOM 821 N GLN A 107 10.845 18.817 23.630 1.00 0.00 ATOM 822 CA GLN A 107 9.693 18.026 23.231 1.00 0.00 ATOM 823 CB GLN A 107 9.993 17.290 21.916 1.00 0.00 ATOM 824 CG GLN A 107 8.754 16.749 21.207 1.00 0.00 ATOM 825 CD GLN A 107 9.072 16.148 19.850 1.00 0.00 ATOM 826 OE1 GLN A 107 10.082 16.484 19.230 1.00 0.00 ATOM 827 NE2 GLN A 107 8.211 15.251 19.383 1.00 0.00 ATOM 828 O GLN A 107 7.956 16.970 24.509 1.00 0.00 ATOM 829 C GLN A 107 9.166 17.034 24.263 1.00 0.00 ATOM 830 N TYR A 108 10.052 16.256 24.866 1.00 0.00 ATOM 831 CA TYR A 108 9.611 15.262 25.831 1.00 0.00 ATOM 832 CB TYR A 108 9.761 13.845 25.025 1.00 0.00 ATOM 833 CG TYR A 108 9.089 12.703 25.748 1.00 0.00 ATOM 834 CD1 TYR A 108 7.693 12.622 25.811 1.00 0.00 ATOM 835 CD2 TYR A 108 9.839 11.746 26.436 1.00 0.00 ATOM 836 CE1 TYR A 108 7.062 11.622 26.560 1.00 0.00 ATOM 837 CE2 TYR A 108 9.219 10.742 27.181 1.00 0.00 ATOM 838 CZ TYR A 108 7.829 10.692 27.246 1.00 0.00 ATOM 839 OH TYR A 108 7.222 9.729 28.021 1.00 0.00 ATOM 840 O TYR A 108 9.593 14.800 28.182 1.00 0.00 ATOM 841 C TYR A 108 9.956 15.561 27.286 1.00 0.00 ATOM 842 N LYS A 109 11.533 16.495 27.056 1.00 0.00 ATOM 843 CA LYS A 109 12.047 15.804 28.230 1.00 0.00 ATOM 844 CB LYS A 109 11.752 16.450 29.524 1.00 0.00 ATOM 845 CG LYS A 109 10.368 16.908 29.777 1.00 0.00 ATOM 846 CD LYS A 109 10.352 17.571 31.149 1.00 0.00 ATOM 847 CE LYS A 109 9.009 18.175 31.480 1.00 0.00 ATOM 848 NZ LYS A 109 9.097 18.824 32.813 1.00 0.00 ATOM 849 O LYS A 109 12.039 13.470 28.821 1.00 0.00 ATOM 850 C LYS A 109 12.356 14.323 27.989 1.00 0.00 ATOM 851 N ALA A 110 12.944 14.008 26.838 1.00 0.00 ATOM 852 CA ALA A 110 13.292 12.623 26.533 1.00 0.00 ATOM 853 CB ALA A 110 13.276 12.391 25.030 1.00 0.00 ATOM 854 O ALA A 110 15.612 13.110 26.913 1.00 0.00 ATOM 855 C ALA A 110 14.690 12.308 27.065 1.00 0.00 ATOM 856 N ARG A 111 14.835 11.142 27.692 1.00 0.00 ATOM 857 CA ARG A 111 16.107 10.705 28.270 1.00 0.00 ATOM 858 CB ARG A 111 15.797 9.516 29.241 1.00 0.00 ATOM 859 CG ARG A 111 14.854 9.849 30.382 1.00 0.00 ATOM 860 CD ARG A 111 14.896 8.747 31.426 1.00 0.00 ATOM 861 NE ARG A 111 16.238 8.616 31.986 1.00 0.00 ATOM 862 CZ ARG A 111 16.678 7.551 32.649 1.00 0.00 ATOM 863 NH1 ARG A 111 15.883 6.508 32.841 1.00 0.00 ATOM 864 NH2 ARG A 111 17.921 7.530 33.117 1.00 0.00 ATOM 865 O ARG A 111 18.367 10.665 27.480 1.00 0.00 ATOM 866 C ARG A 111 17.188 10.434 27.230 1.00 0.00 ATOM 867 N LEU A 112 16.801 9.919 26.071 1.00 0.00 ATOM 868 CA LEU A 112 17.800 9.653 25.049 1.00 0.00 ATOM 869 CB LEU A 112 18.242 8.173 25.093 1.00 0.00 ATOM 870 CG LEU A 112 18.813 7.631 26.412 1.00 0.00 ATOM 871 CD1 LEU A 112 19.112 6.142 26.304 1.00 0.00 ATOM 872 CD2 LEU A 112 20.143 8.351 26.632 1.00 0.00 ATOM 873 O LEU A 112 16.076 9.808 23.397 1.00 0.00 ATOM 874 C LEU A 112 17.279 9.804 23.635 1.00 0.00 ATOM 875 N MET A 113 18.212 9.948 22.704 1.00 0.00 ATOM 876 CA MET A 113 17.892 10.120 21.299 1.00 0.00 ATOM 877 CB MET A 113 18.359 11.490 20.800 1.00 0.00 ATOM 878 CG MET A 113 18.144 11.716 19.313 1.00 0.00 ATOM 879 SD MET A 113 18.610 13.375 18.786 1.00 0.00 ATOM 880 CE MET A 113 20.392 13.296 18.952 1.00 0.00 ATOM 881 O MET A 113 19.743 8.650 20.901 1.00 0.00 ATOM 882 C MET A 113 18.625 9.017 20.542 1.00 0.00 ATOM 883 N LYS A 114 17.978 8.459 19.524 1.00 0.00 ATOM 884 CA LYS A 114 18.579 7.362 18.775 1.00 0.00 ATOM 885 CB LYS A 114 18.124 6.020 19.354 1.00 0.00 ATOM 886 CG LYS A 114 16.635 5.753 19.203 1.00 0.00 ATOM 887 CD LYS A 114 16.250 4.415 19.813 1.00 0.00 ATOM 888 CE LYS A 114 14.756 4.164 19.693 1.00 0.00 ATOM 889 NZ LYS A 114 14.376 2.818 20.209 1.00 0.00 ATOM 890 O LYS A 114 17.332 8.149 16.891 1.00 0.00 ATOM 891 C LYS A 114 18.192 7.380 17.308 1.00 0.00 ATOM 892 N ILE A 115 18.893 6.714 16.264 1.00 0.00 ATOM 893 CA ILE A 115 18.604 6.652 14.842 1.00 0.00 ATOM 894 CB ILE A 115 19.258 7.820 14.082 1.00 0.00 ATOM 895 CG1 ILE A 115 18.696 7.915 12.662 1.00 0.00 ATOM 896 CG2 ILE A 115 20.764 7.620 13.991 1.00 0.00 ATOM 897 CD1 ILE A 115 19.011 9.221 11.968 1.00 0.00 ATOM 898 O ILE A 115 19.966 4.674 14.879 1.00 0.00 ATOM 899 C ILE A 115 19.134 5.352 14.269 1.00 0.00 ATOM 900 N SER A 116 18.634 5.011 13.092 1.00 0.00 ATOM 901 CA SER A 116 19.082 3.819 12.414 1.00 0.00 ATOM 902 CB SER A 116 17.890 2.935 12.044 1.00 0.00 ATOM 903 OG SER A 116 17.256 2.421 13.203 1.00 0.00 ATOM 904 O SER A 116 19.212 5.037 10.361 1.00 0.00 ATOM 905 C SER A 116 19.763 4.241 11.115 1.00 0.00 ATOM 906 N CYS A 117 20.969 3.742 10.862 1.00 0.00 ATOM 907 CA CYS A 117 21.698 4.104 9.651 1.00 0.00 ATOM 908 CB CYS A 117 22.809 5.090 10.017 1.00 0.00 ATOM 909 SG CYS A 117 23.783 5.673 8.610 1.00 0.00 ATOM 910 O CYS A 117 22.934 2.045 9.578 1.00 0.00 ATOM 911 C CYS A 117 22.349 2.921 8.945 1.00 0.00 ATOM 912 N PHE A 118 22.131 2.845 7.636 1.00 0.00 ATOM 913 CA PHE A 118 22.689 1.777 6.806 1.00 0.00 ATOM 914 CB PHE A 118 22.306 2.002 5.331 1.00 0.00 ATOM 915 CG PHE A 118 22.688 0.876 4.413 1.00 0.00 ATOM 916 CD1 PHE A 118 21.863 -0.268 4.338 1.00 0.00 ATOM 917 CD2 PHE A 118 23.790 0.933 3.615 1.00 0.00 ATOM 918 CE1 PHE A 118 22.182 -1.322 3.481 1.00 0.00 ATOM 919 CE2 PHE A 118 24.123 -0.093 2.760 1.00 0.00 ATOM 920 CZ PHE A 118 23.307 -1.245 2.688 1.00 0.00 ATOM 921 O PHE A 118 24.886 2.747 6.879 1.00 0.00 ATOM 922 C PHE A 118 24.202 1.729 7.007 1.00 0.00 ATOM 923 N ASN A 119 24.723 0.548 7.321 1.00 0.00 ATOM 924 CA ASN A 119 26.154 0.395 7.572 1.00 0.00 ATOM 925 CB ASN A 119 26.505 -1.079 7.782 1.00 0.00 ATOM 926 CG ASN A 119 27.933 -1.278 8.251 1.00 0.00 ATOM 927 ND2 ASN A 119 28.731 -1.965 7.441 1.00 0.00 ATOM 928 OD1 ASN A 119 28.312 -0.818 9.328 1.00 0.00 ATOM 929 O ASN A 119 28.098 1.475 6.645 1.00 0.00 ATOM 930 C ASN A 119 27.043 0.895 6.438 1.00 0.00 ATOM 931 N ALA A 120 26.567 0.768 5.160 1.00 0.00 ATOM 932 CA ALA A 120 27.324 1.303 4.033 1.00 0.00 ATOM 933 CB ALA A 120 26.697 0.791 2.745 1.00 0.00 ATOM 934 O ALA A 120 28.226 3.359 3.176 1.00 0.00 ATOM 935 C ALA A 120 27.403 2.829 3.921 1.00 0.00 ATOM 936 N ASN A 121 26.452 3.528 4.683 1.00 0.00 ATOM 937 CA ASN A 121 26.456 4.984 4.605 1.00 0.00 ATOM 938 CB ASN A 121 25.103 5.547 5.045 1.00 0.00 ATOM 939 CG ASN A 121 24.994 7.043 4.823 1.00 0.00 ATOM 940 ND2 ASN A 121 24.074 7.680 5.537 1.00 0.00 ATOM 941 OD1 ASN A 121 25.729 7.615 4.019 1.00 0.00 ATOM 942 O ASN A 121 27.271 6.096 6.589 1.00 0.00 ATOM 943 C ASN A 121 27.549 5.545 5.523 1.00 0.00 ATOM 944 N ALA A 122 28.799 5.394 5.090 1.00 0.00 ATOM 945 CA ALA A 122 29.949 5.858 5.857 1.00 0.00 ATOM 946 CB ALA A 122 31.240 5.550 5.114 1.00 0.00 ATOM 947 O ALA A 122 30.332 7.776 7.212 1.00 0.00 ATOM 948 C ALA A 122 29.940 7.352 6.130 1.00 0.00 ATOM 949 N ALA A 123 29.496 8.145 5.159 1.00 0.00 ATOM 950 CA ALA A 123 29.445 9.593 5.344 1.00 0.00 ATOM 951 CB ALA A 123 28.926 10.271 4.085 1.00 0.00 ATOM 952 O ALA A 123 28.889 10.721 7.392 1.00 0.00 ATOM 953 C ALA A 123 28.522 9.946 6.506 1.00 0.00 ATOM 954 N GLY A 124 27.331 9.357 6.530 1.00 0.00 ATOM 955 CA GLY A 124 26.393 9.670 7.612 1.00 0.00 ATOM 956 O GLY A 124 26.641 9.826 9.993 1.00 0.00 ATOM 957 C GLY A 124 26.871 9.170 8.973 1.00 0.00 ATOM 958 N LEU A 125 27.485 7.992 8.999 1.00 0.00 ATOM 959 CA LEU A 125 27.988 7.428 10.250 1.00 0.00 ATOM 960 CB LEU A 125 28.610 6.053 10.006 1.00 0.00 ATOM 961 CG LEU A 125 27.641 4.923 9.653 1.00 0.00 ATOM 962 CD1 LEU A 125 28.402 3.669 9.252 1.00 0.00 ATOM 963 CD2 LEU A 125 26.756 4.582 10.843 1.00 0.00 ATOM 964 O LEU A 125 29.034 8.638 12.045 1.00 0.00 ATOM 965 C LEU A 125 29.049 8.347 10.845 1.00 0.00 ATOM 966 N LEU A 126 29.974 8.805 10.000 1.00 0.00 ATOM 967 CA LEU A 126 31.035 9.703 10.447 1.00 0.00 ATOM 968 CB LEU A 126 31.968 10.050 9.286 1.00 0.00 ATOM 969 CG LEU A 126 32.852 8.916 8.763 1.00 0.00 ATOM 970 CD1 LEU A 126 33.588 9.345 7.503 1.00 0.00 ATOM 971 CD2 LEU A 126 33.885 8.517 9.804 1.00 0.00 ATOM 972 O LEU A 126 30.935 11.536 11.991 1.00 0.00 ATOM 973 C LEU A 126 30.447 11.003 10.997 1.00 0.00 ATOM 974 N LEU A 127 29.414 11.511 10.334 1.00 0.00 ATOM 975 CA LEU A 127 28.737 12.734 10.767 1.00 0.00 ATOM 976 CB LEU A 127 27.631 13.137 9.843 1.00 0.00 ATOM 977 CG LEU A 127 28.077 13.693 8.487 1.00 0.00 ATOM 978 CD1 LEU A 127 26.886 13.781 7.548 1.00 0.00 ATOM 979 CD2 LEU A 127 28.717 15.060 8.677 1.00 0.00 ATOM 980 O LEU A 127 28.329 13.287 13.092 1.00 0.00 ATOM 981 C LEU A 127 28.121 12.495 12.163 1.00 0.00 ATOM 982 N TYR A 128 27.413 11.410 12.339 1.00 0.00 ATOM 983 CA TYR A 128 26.716 11.135 13.581 1.00 0.00 ATOM 984 CB TYR A 128 25.924 9.829 13.494 1.00 0.00 ATOM 985 CG TYR A 128 24.703 9.911 12.605 1.00 0.00 ATOM 986 CD1 TYR A 128 24.195 11.140 12.207 1.00 0.00 ATOM 987 CD2 TYR A 128 24.064 8.758 12.166 1.00 0.00 ATOM 988 CE1 TYR A 128 23.080 11.224 11.396 1.00 0.00 ATOM 989 CE2 TYR A 128 22.948 8.823 11.353 1.00 0.00 ATOM 990 CZ TYR A 128 22.458 10.071 10.969 1.00 0.00 ATOM 991 OH TYR A 128 21.348 10.152 10.160 1.00 0.00 ATOM 992 O TYR A 128 27.511 11.493 15.824 1.00 0.00 ATOM 993 C TYR A 128 27.735 10.991 14.719 1.00 0.00 ATOM 994 N THR A 129 28.824 10.268 14.474 1.00 0.00 ATOM 995 CA THR A 129 29.849 10.086 15.505 1.00 0.00 ATOM 996 CB THR A 129 31.001 9.194 15.004 1.00 0.00 ATOM 997 CG2 THR A 129 32.063 9.043 16.082 1.00 0.00 ATOM 998 OG1 THR A 129 30.494 7.898 14.667 1.00 0.00 ATOM 999 O THR A 129 30.728 11.653 17.104 1.00 0.00 ATOM 1000 C THR A 129 30.447 11.430 15.929 1.00 0.00 ATOM 1001 N GLN A 130 30.636 12.312 14.951 1.00 0.00 ATOM 1002 CA GLN A 130 31.162 13.639 15.247 1.00 0.00 ATOM 1003 CB GLN A 130 31.480 14.440 14.020 1.00 0.00 ATOM 1004 CG GLN A 130 32.773 13.994 13.347 1.00 0.00 ATOM 1005 CD GLN A 130 33.088 14.747 12.065 1.00 0.00 ATOM 1006 OE1 GLN A 130 32.485 15.782 11.762 1.00 0.00 ATOM 1007 NE2 GLN A 130 34.046 14.231 11.300 1.00 0.00 ATOM 1008 O GLN A 130 30.516 15.150 17.006 1.00 0.00 ATOM 1009 C GLN A 130 30.143 14.374 16.122 1.00 0.00 ATOM 1010 N LEU A 131 28.859 14.117 15.888 1.00 0.00 ATOM 1011 CA LEU A 131 27.815 14.763 16.669 1.00 0.00 ATOM 1012 CB LEU A 131 26.479 14.719 15.923 1.00 0.00 ATOM 1013 CG LEU A 131 26.424 15.462 14.587 1.00 0.00 ATOM 1014 CD1 LEU A 131 25.086 15.233 13.899 1.00 0.00 ATOM 1015 CD2 LEU A 131 26.600 16.958 14.797 1.00 0.00 ATOM 1016 O LEU A 131 26.726 14.654 18.812 1.00 0.00 ATOM 1017 C LEU A 131 27.567 14.160 18.055 1.00 0.00 ATOM 1018 N GLY A 132 28.297 13.093 18.378 1.00 0.00 ATOM 1019 CA GLY A 132 28.276 12.510 19.711 1.00 0.00 ATOM 1020 O GLY A 132 27.355 10.655 20.908 1.00 0.00 ATOM 1021 C GLY A 132 27.505 11.207 19.813 1.00 0.00 ATOM 1022 N TYR A 133 27.014 10.707 18.686 1.00 0.00 ATOM 1023 CA TYR A 133 26.272 9.449 18.686 1.00 0.00 ATOM 1024 CB TYR A 133 26.091 9.193 17.209 1.00 0.00 ATOM 1025 CG TYR A 133 24.689 9.664 16.902 1.00 0.00 ATOM 1026 CD1 TYR A 133 23.587 8.881 17.236 1.00 0.00 ATOM 1027 CD2 TYR A 133 24.462 10.898 16.287 1.00 0.00 ATOM 1028 CE1 TYR A 133 22.292 9.306 16.963 1.00 0.00 ATOM 1029 CE2 TYR A 133 23.164 11.336 16.010 1.00 0.00 ATOM 1030 CZ TYR A 133 22.085 10.532 16.353 1.00 0.00 ATOM 1031 OH TYR A 133 20.798 10.941 16.092 1.00 0.00 ATOM 1032 O TYR A 133 28.329 8.357 18.134 1.00 0.00 ATOM 1033 C TYR A 133 27.225 8.257 18.665 1.00 0.00 ATOM 1034 N GLN A 134 26.804 7.150 19.272 1.00 0.00 ATOM 1035 CA GLN A 134 27.613 5.936 19.327 1.00 0.00 ATOM 1036 CB GLN A 134 28.159 5.720 20.741 1.00 0.00 ATOM 1037 CG GLN A 134 29.091 6.821 21.221 1.00 0.00 ATOM 1038 CD GLN A 134 29.649 6.550 22.603 1.00 0.00 ATOM 1039 OE1 GLN A 134 29.247 5.595 23.270 1.00 0.00 ATOM 1040 NE2 GLN A 134 30.582 7.390 23.039 1.00 0.00 ATOM 1041 O GLN A 134 25.576 4.660 19.182 1.00 0.00 ATOM 1042 C GLN A 134 26.782 4.713 18.943 1.00 0.00 ATOM 1043 N PRO A 135 27.422 3.735 18.320 1.00 0.00 ATOM 1044 CA PRO A 135 26.713 2.533 17.911 1.00 0.00 ATOM 1045 CB PRO A 135 27.667 1.857 16.925 1.00 0.00 ATOM 1046 CG PRO A 135 29.024 2.323 17.340 1.00 0.00 ATOM 1047 CD PRO A 135 28.846 3.726 17.847 1.00 0.00 ATOM 1048 O PRO A 135 27.357 1.231 19.826 1.00 0.00 ATOM 1049 C PRO A 135 26.432 1.652 19.124 1.00 0.00 ATOM 1050 N ARG A 136 25.154 1.374 19.360 1.00 0.00 ATOM 1051 CA ARG A 136 24.742 0.542 20.487 1.00 0.00 ATOM 1052 CB ARG A 136 24.175 1.813 21.481 1.00 0.00 ATOM 1053 CG ARG A 136 24.450 1.785 22.966 1.00 0.00 ATOM 1054 CD ARG A 136 24.019 0.574 23.736 1.00 0.00 ATOM 1055 NE ARG A 136 23.848 0.802 25.161 1.00 0.00 ATOM 1056 CZ ARG A 136 24.748 1.026 26.096 1.00 0.00 ATOM 1057 NH1 ARG A 136 26.049 1.081 25.852 1.00 0.00 ATOM 1058 NH2 ARG A 136 24.341 1.200 27.348 1.00 0.00 ATOM 1059 O ARG A 136 24.161 -1.763 20.800 1.00 0.00 ATOM 1060 C ARG A 136 24.278 -0.827 20.008 1.00 0.00 ATOM 1061 N ALA A 137 24.021 -0.942 18.708 1.00 0.00 ATOM 1062 CA ALA A 137 23.578 -2.208 18.162 1.00 0.00 ATOM 1063 CB ALA A 137 22.146 -2.497 18.589 1.00 0.00 ATOM 1064 O ALA A 137 23.779 -1.211 15.993 1.00 0.00 ATOM 1065 C ALA A 137 23.597 -2.238 16.645 1.00 0.00 ATOM 1066 N ILE A 138 23.224 -3.380 16.083 1.00 0.00 ATOM 1067 CA ILE A 138 23.197 -3.546 14.639 1.00 0.00 ATOM 1068 CB ILE A 138 24.615 -3.764 14.078 1.00 0.00 ATOM 1069 CG1 ILE A 138 24.588 -3.772 12.548 1.00 0.00 ATOM 1070 CG2 ILE A 138 25.180 -5.091 14.558 1.00 0.00 ATOM 1071 CD1 ILE A 138 25.956 -3.656 11.913 1.00 0.00 ATOM 1072 O ILE A 138 22.443 -5.780 15.018 1.00 0.00 ATOM 1073 C ILE A 138 22.339 -4.760 14.337 1.00 0.00 ATOM 1074 N ALA A 139 21.481 -4.652 13.338 1.00 0.00 ATOM 1075 CA ALA A 139 20.608 -5.750 12.944 1.00 0.00 ATOM 1076 CB ALA A 139 19.177 -5.512 13.435 1.00 0.00 ATOM 1077 O ALA A 139 21.233 -4.986 10.763 1.00 0.00 ATOM 1078 C ALA A 139 20.597 -5.807 11.426 1.00 0.00 ATOM 1079 N GLU A 140 19.930 -6.820 10.886 1.00 0.00 ATOM 1080 CA GLU A 140 19.807 -6.973 9.443 1.00 0.00 ATOM 1081 CB GLU A 140 20.484 -8.214 8.915 1.00 0.00 ATOM 1082 CG GLU A 140 21.903 -8.451 9.367 1.00 0.00 ATOM 1083 CD GLU A 140 22.548 -9.608 8.624 1.00 0.00 ATOM 1084 OE1 GLU A 140 21.863 -10.629 8.388 1.00 0.00 ATOM 1085 OE2 GLU A 140 23.741 -9.498 8.279 1.00 0.00 ATOM 1086 O GLU A 140 17.522 -7.582 9.812 1.00 0.00 ATOM 1087 C GLU A 140 18.329 -6.995 9.091 1.00 0.00 ATOM 1088 N ARG A 141 17.980 -6.345 7.988 1.00 0.00 ATOM 1089 CA ARG A 141 16.607 -6.347 7.513 1.00 0.00 ATOM 1090 CB ARG A 141 15.964 -4.953 7.548 1.00 0.00 ATOM 1091 CG ARG A 141 16.228 -4.188 8.825 1.00 0.00 ATOM 1092 CD ARG A 141 15.443 -2.844 8.822 1.00 0.00 ATOM 1093 NE ARG A 141 14.047 -3.081 9.043 1.00 0.00 ATOM 1094 CZ ARG A 141 13.126 -2.205 8.772 1.00 0.00 ATOM 1095 NH1 ARG A 141 13.442 -1.047 8.224 1.00 0.00 ATOM 1096 NH2 ARG A 141 11.830 -2.484 9.052 1.00 0.00 ATOM 1097 O ARG A 141 17.683 -6.515 5.383 1.00 0.00 ATOM 1098 C ARG A 141 16.688 -6.781 6.053 1.00 0.00 ATOM 1099 N HIS A 142 15.648 -7.435 5.555 1.00 0.00 ATOM 1100 CA HIS A 142 15.646 -7.869 4.163 1.00 0.00 ATOM 1101 CB HIS A 142 15.675 -9.376 4.105 1.00 0.00 ATOM 1102 CG HIS A 142 14.530 -10.053 4.790 1.00 0.00 ATOM 1103 CD2 HIS A 142 13.490 -10.764 4.297 1.00 0.00 ATOM 1104 ND1 HIS A 142 14.364 -10.026 6.158 1.00 0.00 ATOM 1105 CE1 HIS A 142 13.270 -10.694 6.479 1.00 0.00 ATOM 1106 NE2 HIS A 142 12.721 -11.152 5.369 1.00 0.00 ATOM 1107 O HIS A 142 13.434 -7.005 3.899 1.00 0.00 ATOM 1108 C HIS A 142 14.532 -7.203 3.381 1.00 0.00 ATOM 1109 N ASP A 143 14.775 -6.823 2.180 1.00 0.00 ATOM 1110 CA ASP A 143 13.777 -6.193 1.323 1.00 0.00 ATOM 1111 CB ASP A 143 14.490 -5.307 0.322 1.00 0.00 ATOM 1112 CG ASP A 143 15.452 -5.954 -0.622 1.00 0.00 ATOM 1113 OD1 ASP A 143 15.615 -7.218 -0.681 1.00 0.00 ATOM 1114 OD2 ASP A 143 16.128 -5.222 -1.423 1.00 0.00 ATOM 1115 O ASP A 143 13.191 -8.484 0.929 1.00 0.00 ATOM 1116 C ASP A 143 12.905 -7.300 0.749 1.00 0.00 ATOM 1117 N PRO A 144 11.848 -6.912 0.043 1.00 0.00 ATOM 1118 CA PRO A 144 10.974 -7.903 -0.552 1.00 0.00 ATOM 1119 CB PRO A 144 9.867 -7.205 -1.204 1.00 0.00 ATOM 1120 CG PRO A 144 9.756 -5.927 -0.404 1.00 0.00 ATOM 1121 CD PRO A 144 11.177 -5.554 -0.104 1.00 0.00 ATOM 1122 O PRO A 144 11.315 -9.898 -1.832 1.00 0.00 ATOM 1123 C PRO A 144 11.715 -8.765 -1.557 1.00 0.00 ATOM 1124 N ASP A 145 12.806 -8.232 -2.101 1.00 0.00 ATOM 1125 CA ASP A 145 13.604 -8.956 -3.084 1.00 0.00 ATOM 1126 CB ASP A 145 14.244 -7.978 -4.075 1.00 0.00 ATOM 1127 CG ASP A 145 13.216 -7.181 -4.856 1.00 0.00 ATOM 1128 OD1 ASP A 145 12.244 -7.791 -5.348 1.00 0.00 ATOM 1129 OD2 ASP A 145 13.380 -5.949 -4.987 1.00 0.00 ATOM 1130 O ASP A 145 15.496 -10.436 -3.134 1.00 0.00 ATOM 1131 C ASP A 145 14.685 -9.823 -2.438 1.00 0.00 ATOM 1132 N GLY A 146 14.690 -9.869 -1.108 1.00 0.00 ATOM 1133 CA GLY A 146 15.657 -10.685 -0.391 1.00 0.00 ATOM 1134 O GLY A 146 17.942 -10.761 0.291 1.00 0.00 ATOM 1135 C GLY A 146 17.018 -10.068 -0.141 1.00 0.00 ATOM 1136 N ARG A 147 17.152 -8.773 -0.405 1.00 0.00 ATOM 1137 CA ARG A 147 18.418 -8.075 -0.205 1.00 0.00 ATOM 1138 CB ARG A 147 18.426 -6.812 -1.030 1.00 0.00 ATOM 1139 CG ARG A 147 19.669 -5.948 -0.849 1.00 0.00 ATOM 1140 CD ARG A 147 19.657 -4.820 -1.875 1.00 0.00 ATOM 1141 NE ARG A 147 18.391 -4.094 -1.838 1.00 0.00 ATOM 1142 CZ ARG A 147 17.932 -3.331 -2.824 1.00 0.00 ATOM 1143 NH1 ARG A 147 18.635 -3.191 -3.937 1.00 0.00 ATOM 1144 NH2 ARG A 147 16.770 -2.700 -2.690 1.00 0.00 ATOM 1145 O ARG A 147 17.607 -7.090 1.829 1.00 0.00 ATOM 1146 C ARG A 147 18.456 -7.797 1.300 1.00 0.00 ATOM 1147 N ARG A 148 19.380 -8.451 2.117 1.00 0.00 ATOM 1148 CA ARG A 148 19.581 -8.285 3.554 1.00 0.00 ATOM 1149 CB ARG A 148 19.787 -9.399 4.582 1.00 0.00 ATOM 1150 CG ARG A 148 18.566 -10.279 4.799 1.00 0.00 ATOM 1151 CD ARG A 148 18.820 -11.323 5.873 1.00 0.00 ATOM 1152 NE ARG A 148 17.642 -12.146 6.127 1.00 0.00 ATOM 1153 CZ ARG A 148 17.592 -13.125 7.025 1.00 0.00 ATOM 1154 NH1 ARG A 148 16.476 -13.821 7.186 1.00 0.00 ATOM 1155 NH2 ARG A 148 18.661 -13.405 7.758 1.00 0.00 ATOM 1156 O ARG A 148 21.817 -7.559 3.004 1.00 0.00 ATOM 1157 C ARG A 148 20.782 -7.352 3.651 1.00 0.00 ATOM 1158 N VAL A 149 20.621 -6.319 4.469 1.00 0.00 ATOM 1159 CA VAL A 149 21.668 -5.344 4.723 1.00 0.00 ATOM 1160 CB VAL A 149 21.378 -4.007 4.014 1.00 0.00 ATOM 1161 CG1 VAL A 149 21.320 -4.204 2.508 1.00 0.00 ATOM 1162 CG2 VAL A 149 20.044 -3.439 4.476 1.00 0.00 ATOM 1163 O VAL A 149 20.777 -5.499 6.929 1.00 0.00 ATOM 1164 C VAL A 149 21.700 -5.105 6.222 1.00 0.00 ATOM 1165 N ALA A 150 22.826 -4.372 6.683 1.00 0.00 ATOM 1166 CA ALA A 150 22.920 -4.110 8.114 1.00 0.00 ATOM 1167 CB ALA A 150 24.341 -4.370 8.591 1.00 0.00 ATOM 1168 O ALA A 150 22.951 -1.730 7.813 1.00 0.00 ATOM 1169 C ALA A 150 22.520 -2.681 8.464 1.00 0.00 ATOM 1170 N LEU A 151 21.697 -2.554 9.498 1.00 0.00 ATOM 1171 CA LEU A 151 21.253 -1.250 9.974 1.00 0.00 ATOM 1172 CB LEU A 151 19.734 -1.240 10.156 1.00 0.00 ATOM 1173 CG LEU A 151 19.127 0.044 10.727 1.00 0.00 ATOM 1174 CD1 LEU A 151 19.331 1.208 9.769 1.00 0.00 ATOM 1175 CD2 LEU A 151 17.634 -0.125 10.959 1.00 0.00 ATOM 1176 O LEU A 151 21.857 -1.930 12.163 1.00 0.00 ATOM 1177 C LEU A 151 21.946 -1.070 11.322 1.00 0.00 ATOM 1178 N ILE A 152 22.646 0.043 11.486 1.00 0.00 ATOM 1179 CA ILE A 152 23.352 0.333 12.732 1.00 0.00 ATOM 1180 CB ILE A 152 24.706 1.034 12.516 1.00 0.00 ATOM 1181 CG1 ILE A 152 25.648 0.137 11.707 1.00 0.00 ATOM 1182 CG2 ILE A 152 25.366 1.344 13.852 1.00 0.00 ATOM 1183 CD1 ILE A 152 26.909 0.835 11.248 1.00 0.00 ATOM 1184 O ILE A 152 21.885 2.207 13.092 1.00 0.00 ATOM 1185 C ILE A 152 22.470 1.236 13.590 1.00 0.00 ATOM 1186 N GLN A 153 22.317 0.881 14.860 1.00 0.00 ATOM 1187 CA GLN A 153 21.519 1.687 15.774 1.00 0.00 ATOM 1188 CB GLN A 153 20.752 0.790 16.748 1.00 0.00 ATOM 1189 CG GLN A 153 19.836 1.545 17.697 1.00 0.00 ATOM 1190 CD GLN A 153 19.054 0.620 18.609 1.00 0.00 ATOM 1191 OE1 GLN A 153 19.107 -0.601 18.465 1.00 0.00 ATOM 1192 NE2 GLN A 153 18.324 1.202 19.555 1.00 0.00 ATOM 1193 O GLN A 153 23.406 2.069 17.201 1.00 0.00 ATOM 1194 C GLN A 153 22.515 2.570 16.515 1.00 0.00 ATOM 1195 N MET A 154 22.358 3.880 16.377 1.00 0.00 ATOM 1196 CA MET A 154 23.256 4.825 17.015 1.00 0.00 ATOM 1197 CB MET A 154 23.975 5.673 15.965 1.00 0.00 ATOM 1198 CG MET A 154 24.924 4.888 15.075 1.00 0.00 ATOM 1199 SD MET A 154 25.831 5.940 13.926 1.00 0.00 ATOM 1200 CE MET A 154 26.851 6.881 15.058 1.00 0.00 ATOM 1201 O MET A 154 21.415 6.280 17.476 1.00 0.00 ATOM 1202 C MET A 154 22.420 5.710 17.917 1.00 0.00 ATOM 1203 N ASP A 155 23.070 6.022 19.124 1.00 0.00 ATOM 1204 CA ASP A 155 22.278 6.887 20.021 1.00 0.00 ATOM 1205 CB ASP A 155 21.441 6.005 20.950 1.00 0.00 ATOM 1206 CG ASP A 155 22.296 5.137 21.853 1.00 0.00 ATOM 1207 OD1 ASP A 155 23.513 5.398 21.949 1.00 0.00 ATOM 1208 OD2 ASP A 155 21.749 4.195 22.462 1.00 0.00 ATOM 1209 O ASP A 155 24.372 7.629 20.908 1.00 0.00 ATOM 1210 C ASP A 155 23.150 7.745 20.910 1.00 0.00 ATOM 1211 N LYS A 156 22.490 8.598 21.682 1.00 0.00 ATOM 1212 CA LYS A 156 23.161 9.477 22.614 1.00 0.00 ATOM 1213 CB LYS A 156 23.574 10.778 21.922 1.00 0.00 ATOM 1214 CG LYS A 156 24.412 11.703 22.789 1.00 0.00 ATOM 1215 CD LYS A 156 24.865 12.928 22.011 1.00 0.00 ATOM 1216 CE LYS A 156 25.779 13.807 22.849 1.00 0.00 ATOM 1217 NZ LYS A 156 26.215 15.022 22.106 1.00 0.00 ATOM 1218 O LYS A 156 21.027 10.111 23.516 1.00 0.00 ATOM 1219 C LYS A 156 22.196 9.789 23.746 1.00 0.00 ATOM 1220 N PRO A 157 22.712 9.743 24.967 1.00 0.00 ATOM 1221 CA PRO A 157 21.909 10.033 26.138 1.00 0.00 ATOM 1222 CB PRO A 157 22.592 9.245 27.256 1.00 0.00 ATOM 1223 CG PRO A 157 24.039 9.259 26.893 1.00 0.00 ATOM 1224 CD PRO A 157 24.093 9.195 25.393 1.00 0.00 ATOM 1225 O PRO A 157 22.977 12.167 26.298 1.00 0.00 ATOM 1226 C PRO A 157 21.931 11.531 26.385 1.00 0.00 ATOM 1227 N LEU A 158 20.692 12.082 26.691 1.00 0.00 ATOM 1228 CA LEU A 158 20.674 13.537 26.920 1.00 0.00 ATOM 1229 CB LEU A 158 19.555 14.167 26.074 1.00 0.00 ATOM 1230 CG LEU A 158 19.685 13.947 24.555 1.00 0.00 ATOM 1231 CD1 LEU A 158 18.449 14.440 23.826 1.00 0.00 ATOM 1232 CD2 LEU A 158 20.931 14.647 24.025 1.00 0.00 ATOM 1233 O LEU A 158 20.869 14.993 28.811 1.00 0.00 ATOM 1234 C LEU A 158 20.552 13.866 28.401 1.00 0.00 ATOM 1235 N GLU A 159 20.261 12.875 29.216 1.00 0.00 ATOM 1236 CA GLU A 159 20.182 13.028 30.669 1.00 0.00 ATOM 1237 CB GLU A 159 18.731 13.241 31.091 1.00 0.00 ATOM 1238 CG GLU A 159 18.060 14.415 30.395 1.00 0.00 ATOM 1239 CD GLU A 159 16.694 14.722 30.955 1.00 0.00 ATOM 1240 OE1 GLU A 159 15.948 13.786 31.291 1.00 0.00 ATOM 1241 OE2 GLU A 159 16.331 15.906 31.034 1.00 0.00 ATOM 1242 O GLU A 159 20.926 10.762 30.745 1.00 0.00 ATOM 1243 C GLU A 159 20.906 11.839 31.328 1.00 0.00 ATOM 1244 N PRO A 160 21.547 12.082 32.451 1.00 0.00 ATOM 1245 CA PRO A 160 22.244 11.051 33.187 1.00 0.00 ATOM 1246 CB PRO A 160 22.560 11.758 34.506 1.00 0.00 ATOM 1247 CG PRO A 160 22.772 13.195 34.067 1.00 0.00 ATOM 1248 CD PRO A 160 21.622 13.388 33.131 1.00 0.00 ATOM 1249 O PRO A 160 20.240 9.844 33.765 1.00 0.00 ATOM 1250 C PRO A 160 21.411 9.798 33.380 1.00 0.00 ENDMDL EXPDTA 2i6cA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2i6cA ATOM 1 N MET 1 27.298 29.500 5.487 1.00 0.00 ATOM 2 CA MET 1 25.990 28.770 5.492 1.00 0.00 ATOM 3 CB MET 1 26.189 27.266 5.729 1.00 0.00 ATOM 4 CG MET 1 26.762 26.516 4.560 1.00 0.00 ATOM 5 SD MET 1 25.626 26.465 2.974 1.00 0.00 ATOM 6 CE MET 1 24.120 25.524 3.718 1.00 0.00 ATOM 7 O MET 1 24.937 28.695 7.628 1.00 0.00 ATOM 8 C MET 1 25.036 29.287 6.554 1.00 0.00 ATOM 9 N GLN 2 24.368 30.394 6.253 1.00 0.00 ATOM 10 CA GLN 2 23.282 30.876 7.087 1.00 0.00 ATOM 11 CB GLN 2 22.843 32.278 6.650 1.00 0.00 ATOM 12 CG GLN 2 23.937 33.337 6.772 1.00 0.00 ATOM 13 CD GLN 2 24.523 33.418 8.168 1.00 0.00 ATOM 14 OE1 GLN 2 23.793 33.402 9.162 1.00 0.00 ATOM 15 NE2 GLN 2 25.849 33.500 8.252 1.00 0.00 ATOM 16 O GLN 2 21.607 29.739 5.818 1.00 0.00 ATOM 17 C GLN 2 22.144 29.881 6.926 1.00 0.00 ATOM 18 N LEU 3 21.859 29.116 7.980 1.00 0.00 ATOM 19 CA LEU 3 20.717 28.206 7.960 1.00 0.00 ATOM 20 CB LEU 3 21.167 26.784 8.290 1.00 0.00 ATOM 21 CG LEU 3 21.966 26.082 7.182 1.00 0.00 ATOM 22 CD1 LEU 3 22.839 24.941 7.749 1.00 0.00 ATOM 23 CD2 LEU 3 21.069 25.556 6.076 1.00 0.00 ATOM 24 O LEU 3 19.938 29.103 10.052 1.00 0.00 ATOM 25 C LEU 3 19.643 28.621 8.946 1.00 0.00 ATOM 26 N SER 4 18.394 28.424 8.533 1.00 0.00 ATOM 27 CA SER 4 17.237 28.594 9.401 1.00 0.00 ATOM 28 CB SER 4 16.435 29.854 9.032 1.00 0.00 ATOM 29 OG SER 4 15.913 29.770 7.726 1.00 0.00 ATOM 30 O SER 4 16.614 26.513 8.439 1.00 0.00 ATOM 31 C SER 4 16.376 27.360 9.290 1.00 0.00 ATOM 32 N HIS 5 15.395 27.229 10.164 1.00 0.00 ATOM 33 CA HIS 5 14.498 26.083 10.100 1.00 0.00 ATOM 34 CB HIS 5 14.933 24.938 11.010 1.00 0.00 ATOM 35 CG HIS 5 14.910 25.275 12.460 1.00 0.00 ATOM 36 CD2 HIS 5 15.831 25.882 13.238 1.00 0.00 ATOM 37 ND1 HIS 5 13.827 25.014 13.271 1.00 0.00 ATOM 38 CE1 HIS 5 14.093 25.441 14.494 1.00 0.00 ATOM 39 NE2 HIS 5 15.301 25.966 14.500 1.00 0.00 ATOM 40 O HIS 5 12.828 27.515 11.067 1.00 0.00 ATOM 41 C HIS 5 13.071 26.502 10.426 1.00 0.00 ATOM 42 N ARG 6 12.140 25.678 9.978 1.00 0.00 ATOM 43 CA ARG 6 10.721 25.830 10.276 1.00 0.00 ATOM 44 CB ARG 6 10.103 26.939 9.410 1.00 0.00 ATOM 45 CG ARG 6 10.332 26.750 7.939 1.00 0.00 ATOM 46 CD ARG 6 9.436 27.694 7.149 1.00 0.00 ATOM 47 NE ARG 6 9.710 27.614 5.718 1.00 0.00 ATOM 48 CZ ARG 6 9.298 26.631 4.912 1.00 0.00 ATOM 49 NH1 ARG 6 8.553 25.631 5.357 1.00 0.00 ATOM 50 NH2 ARG 6 9.633 26.627 3.635 1.00 0.00 ATOM 51 O ARG 6 10.577 23.657 9.321 1.00 0.00 ATOM 52 C ARG 6 10.020 24.519 9.997 1.00 0.00 ATOM 53 N PRO 7 8.802 24.345 10.512 1.00 0.00 ATOM 54 CA PRO 7 8.052 23.156 10.151 1.00 0.00 ATOM 55 CB PRO 7 6.727 23.328 10.881 1.00 0.00 ATOM 56 CG PRO 7 7.074 24.185 12.050 1.00 0.00 ATOM 57 CD PRO 7 8.101 25.155 11.523 1.00 0.00 ATOM 58 O PRO 7 7.689 24.038 7.944 1.00 0.00 ATOM 59 C PRO 7 7.869 23.038 8.637 1.00 0.00 ATOM 60 N ALA 8 7.919 21.815 8.136 1.00 0.00 ATOM 61 CA ALA 8 7.642 21.542 6.739 1.00 0.00 ATOM 62 CB ALA 8 7.872 20.065 6.462 1.00 0.00 ATOM 63 O ALA 8 5.286 21.815 7.171 1.00 0.00 ATOM 64 C ALA 8 6.223 21.962 6.363 1.00 0.00 ATOM 65 N GLU 9 6.073 22.434 5.131 1.00 0.00 ATOM 66 CA GLU 9 4.796 22.910 4.617 1.00 0.00 ATOM 67 CB GLU 9 4.883 24.424 4.355 1.00 0.00 ATOM 68 CG GLU 9 5.046 25.209 5.656 1.00 0.00 ATOM 69 CD GLU 9 5.319 26.695 5.504 1.00 0.00 ATOM 70 OE1 GLU 9 5.372 27.223 4.379 1.00 0.00 ATOM 71 OE2 GLU 9 5.478 27.352 6.542 1.00 0.00 ATOM 72 O GLU 9 5.401 21.653 2.696 1.00 0.00 ATOM 73 C GLU 9 4.495 22.190 3.322 1.00 0.00 ATOM 74 N THR 10 3.240 22.194 2.879 1.00 0.00 ATOM 75 CA THR 10 2.886 21.460 1.669 1.00 0.00 ATOM 76 CB THR 10 1.353 21.435 1.375 1.00 0.00 ATOM 77 CG2 THR 10 0.597 20.926 2.536 1.00 0.00 ATOM 78 OG1 THR 10 0.887 22.737 1.080 1.00 0.00 ATOM 79 O THR 10 4.026 21.170 -0.421 1.00 0.00 ATOM 80 C THR 10 3.665 21.958 0.448 1.00 0.00 ATOM 81 N GLY 11 3.973 23.251 0.402 1.00 0.00 ATOM 82 CA GLY 11 4.750 23.808 -0.689 1.00 0.00 ATOM 83 O GLY 11 6.827 23.469 -1.810 1.00 0.00 ATOM 84 C GLY 11 6.187 23.320 -0.763 1.00 0.00 ATOM 85 N ASP 12 6.690 22.727 0.324 1.00 0.00 ATOM 86 CA ASP 12 8.046 22.189 0.334 1.00 0.00 ATOM 87 CB ASP 12 8.578 22.111 1.758 1.00 0.00 ATOM 88 CG ASP 12 8.563 23.415 2.500 1.00 0.00 ATOM 89 OD1 ASP 12 8.852 24.471 1.907 1.00 0.00 ATOM 90 OD2 ASP 12 8.357 23.347 3.737 1.00 0.00 ATOM 91 O ASP 12 9.191 20.279 -0.501 1.00 0.00 ATOM 92 C ASP 12 8.105 20.773 -0.246 1.00 0.00 ATOM 93 N LEU 13 6.970 20.083 -0.383 1.00 0.00 ATOM 94 CA LEU 13 6.962 18.647 -0.702 1.00 0.00 ATOM 95 CB LEU 13 5.527 18.119 -0.716 1.00 0.00 ATOM 96 CG LEU 13 4.732 18.113 0.587 1.00 0.00 ATOM 97 CD1 LEU 13 3.267 17.785 0.281 1.00 0.00 ATOM 98 CD2 LEU 13 5.282 17.115 1.552 1.00 0.00 ATOM 99 O LEU 13 8.415 17.321 -1.980 1.00 0.00 ATOM 100 C LEU 13 7.661 18.279 -1.966 1.00 0.00 ATOM 101 N GLU 14 7.397 19.025 -3.035 1.00 0.00 ATOM 102 CA GLU 14 7.977 18.692 -4.336 1.00 0.00 ATOM 103 CB GLU 14 7.411 19.631 -5.403 1.00 0.00 ATOM 104 CG GLU 14 7.939 19.499 -6.792 1.00 0.00 ATOM 105 CD GLU 14 7.491 20.663 -7.656 1.00 0.00 ATOM 106 OE1 GLU 14 6.290 20.726 -7.973 1.00 0.00 ATOM 107 OE2 GLU 14 8.327 21.532 -8.001 1.00 0.00 ATOM 108 O GLU 14 10.203 17.859 -4.755 1.00 0.00 ATOM 109 C GLU 14 9.504 18.760 -4.265 1.00 0.00 ATOM 110 N THR 15 10.027 19.813 -3.638 1.00 0.00 ATOM 111 CA THR 15 11.472 19.976 -3.519 1.00 0.00 ATOM 112 CB THR 15 11.786 21.331 -2.881 1.00 0.00 ATOM 113 CG2 THR 15 13.271 21.518 -2.670 1.00 0.00 ATOM 114 OG1 THR 15 11.268 22.366 -3.734 1.00 0.00 ATOM 115 O THR 15 13.058 18.186 -3.129 1.00 0.00 ATOM 116 C THR 15 12.096 18.836 -2.696 1.00 0.00 ATOM 117 N VAL 16 11.514 18.547 -1.537 1.00 0.00 ATOM 118 CA VAL 16 12.057 17.507 -0.668 1.00 0.00 ATOM 119 CB VAL 16 11.351 17.509 0.702 1.00 0.00 ATOM 120 CG1 VAL 16 11.841 16.365 1.564 1.00 0.00 ATOM 121 CG2 VAL 16 11.657 18.805 1.420 1.00 0.00 ATOM 122 O VAL 16 12.897 15.323 -1.224 1.00 0.00 ATOM 123 C VAL 16 11.971 16.140 -1.324 1.00 0.00 ATOM 124 N ALA 17 10.863 15.869 -1.991 1.00 0.00 ATOM 125 CA ALA 17 10.721 14.577 -2.659 1.00 0.00 ATOM 126 CB ALA 17 9.313 14.401 -3.184 1.00 0.00 ATOM 127 O ALA 17 11.984 13.240 -4.155 1.00 0.00 ATOM 128 C ALA 17 11.728 14.374 -3.777 1.00 0.00 ATOM 129 N GLY 18 12.318 15.461 -4.253 1.00 0.00 ATOM 130 CA GLY 18 13.383 15.378 -5.232 1.00 0.00 ATOM 131 O GLY 18 15.708 14.897 -5.440 1.00 0.00 ATOM 132 C GLY 18 14.765 15.077 -4.670 1.00 0.00 ATOM 133 N PHE 19 14.920 15.038 -3.342 1.00 0.00 ATOM 134 CA PHE 19 16.253 14.880 -2.763 1.00 0.00 ATOM 135 CB PHE 19 16.268 15.241 -1.257 1.00 0.00 ATOM 136 CG PHE 19 16.060 16.705 -0.927 1.00 0.00 ATOM 137 CD1 PHE 19 16.066 17.695 -1.888 1.00 0.00 ATOM 138 CD2 PHE 19 15.885 17.074 0.391 1.00 0.00 ATOM 139 CE1 PHE 19 15.891 19.034 -1.526 1.00 0.00 ATOM 140 CE2 PHE 19 15.710 18.428 0.775 1.00 0.00 ATOM 141 CZ PHE 19 15.724 19.432 -0.230 1.00 0.00 ATOM 142 O PHE 19 18.077 13.440 -3.357 1.00 0.00 ATOM 143 C PHE 19 16.910 13.496 -2.981 1.00 0.00 ATOM 144 N PRO 20 16.169 12.394 -2.774 1.00 0.00 ATOM 145 CA PRO 20 16.816 11.083 -3.031 1.00 0.00 ATOM 146 CB PRO 20 15.794 10.072 -2.527 1.00 0.00 ATOM 147 CG PRO 20 14.864 10.854 -1.584 1.00 0.00 ATOM 148 CD PRO 20 14.822 12.254 -2.193 1.00 0.00 ATOM 149 O PRO 20 16.217 10.982 -5.345 1.00 0.00 ATOM 150 C PRO 20 17.109 10.865 -4.516 1.00 0.00 ATOM 151 N GLN 21 18.343 10.498 -4.834 1.00 0.00 ATOM 152 CA GLN 21 18.766 10.462 -6.240 1.00 0.00 ATOM 153 CB GLN 21 20.193 11.010 -6.362 1.00 0.00 ATOM 154 CG GLN 21 20.279 12.471 -5.999 1.00 0.00 ATOM 155 CD GLN 21 19.345 13.317 -6.838 1.00 0.00 ATOM 156 OE1 GLN 21 19.542 13.468 -8.051 1.00 0.00 ATOM 157 NE2 GLN 21 18.337 13.913 -6.192 1.00 0.00 ATOM 158 O GLN 21 18.781 9.050 -8.132 1.00 0.00 ATOM 159 C GLN 21 18.676 9.121 -6.909 1.00 0.00 ATOM 160 N ASP 22 18.519 8.052 -6.134 1.00 0.00 ATOM 161 CA ASP 22 18.407 6.709 -6.693 1.00 0.00 ATOM 162 CB ASP 22 19.785 6.169 -7.129 1.00 0.00 ATOM 163 CG ASP 22 20.786 6.124 -6.009 1.00 0.00 ATOM 164 OD1 ASP 22 20.463 5.562 -4.958 1.00 0.00 ATOM 165 OD2 ASP 22 21.927 6.621 -6.194 1.00 0.00 ATOM 166 O ASP 22 17.455 6.252 -4.542 1.00 0.00 ATOM 167 C ASP 22 17.733 5.820 -5.663 1.00 0.00 ATOM 168 N ARG 23 17.439 4.593 -6.066 1.00 0.00 ATOM 169 CA ARG 23 16.753 3.605 -5.228 1.00 0.00 ATOM 170 CB ARG 23 16.717 2.266 -5.954 1.00 0.00 ATOM 171 CG ARG 23 15.743 2.228 -7.053 1.00 0.00 ATOM 172 CD ARG 23 16.076 1.151 -8.057 1.00 0.00 ATOM 173 NE ARG 23 14.986 0.995 -9.015 1.00 0.00 ATOM 174 CZ ARG 23 14.811 1.735 -10.109 1.00 0.00 ATOM 175 NH1 ARG 23 15.664 2.693 -10.434 1.00 0.00 ATOM 176 NH2 ARG 23 13.766 1.499 -10.889 1.00 0.00 ATOM 177 O ARG 23 16.760 3.210 -2.892 1.00 0.00 ATOM 178 C ARG 23 17.426 3.365 -3.907 1.00 0.00 ATOM 179 N ASP 24 18.751 3.286 -3.939 1.00 0.00 ATOM 180 CA ASP 24 19.533 3.094 -2.723 1.00 0.00 ATOM 181 CB ASP 24 21.007 2.860 -3.063 1.00 0.00 ATOM 182 CG ASP 24 21.254 1.489 -3.658 1.00 0.00 ATOM 183 OD1 ASP 24 20.416 0.588 -3.445 1.00 0.00 ATOM 184 OD2 ASP 24 22.286 1.310 -4.340 1.00 0.00 ATOM 185 O ASP 24 19.285 4.099 -0.559 1.00 0.00 ATOM 186 C ASP 24 19.400 4.278 -1.772 1.00 0.00 ATOM 187 N GLU 25 19.416 5.489 -2.322 1.00 0.00 ATOM 188 CA GLU 25 19.346 6.696 -1.503 1.00 0.00 ATOM 189 CB GLU 25 19.650 7.946 -2.335 1.00 0.00 ATOM 190 CG GLU 25 21.137 8.146 -2.634 1.00 0.00 ATOM 191 CD GLU 25 21.466 9.576 -3.019 1.00 0.00 ATOM 192 OE1 GLU 25 20.538 10.410 -3.065 1.00 0.00 ATOM 193 OE2 GLU 25 22.654 9.866 -3.274 1.00 0.00 ATOM 194 O GLU 25 17.846 7.303 0.267 1.00 0.00 ATOM 195 C GLU 25 17.970 6.834 -0.863 1.00 0.00 ATOM 196 N LEU 26 16.938 6.428 -1.595 1.00 0.00 ATOM 197 CA LEU 26 15.577 6.463 -1.078 1.00 0.00 ATOM 198 CB LEU 26 14.575 6.207 -2.204 1.00 0.00 ATOM 199 CG LEU 26 13.103 6.164 -1.793 1.00 0.00 ATOM 200 CD1 LEU 26 12.681 7.481 -1.149 1.00 0.00 ATOM 201 CD2 LEU 26 12.234 5.852 -2.999 1.00 0.00 ATOM 202 O LEU 26 14.654 5.649 0.982 1.00 0.00 ATOM 203 C LEU 26 15.395 5.426 0.025 1.00 0.00 ATOM 204 N PHE 27 16.078 4.294 -0.114 1.00 0.00 ATOM 205 CA PHE 27 15.949 3.204 0.846 1.00 0.00 ATOM 206 CB PHE 27 16.631 1.938 0.319 1.00 0.00 ATOM 207 CG PHE 27 16.766 0.853 1.349 1.00 0.00 ATOM 208 CD1 PHE 27 15.645 0.214 1.851 1.00 0.00 ATOM 209 CD2 PHE 27 18.013 0.475 1.819 1.00 0.00 ATOM 210 CE1 PHE 27 15.765 -0.783 2.801 1.00 0.00 ATOM 211 CE2 PHE 27 18.139 -0.522 2.768 1.00 0.00 ATOM 212 CZ PHE 27 17.013 -1.151 3.259 1.00 0.00 ATOM 213 O PHE 27 16.022 3.265 3.244 1.00 0.00 ATOM 214 C PHE 27 16.561 3.593 2.188 1.00 0.00 ATOM 215 N TYR 28 17.691 4.292 2.139 1.00 0.00 ATOM 216 CA TYR 28 18.292 4.855 3.342 1.00 0.00 ATOM 217 CB TYR 28 19.672 5.438 3.025 1.00 0.00 ATOM 218 CG TYR 28 20.571 4.516 2.228 1.00 0.00 ATOM 219 CD1 TYR 28 20.527 3.138 2.404 1.00 0.00 ATOM 220 CD2 TYR 28 21.469 5.027 1.300 1.00 0.00 ATOM 221 CE1 TYR 28 21.350 2.296 1.678 1.00 0.00 ATOM 222 CE2 TYR 28 22.296 4.193 0.569 1.00 0.00 ATOM 223 CZ TYR 28 22.232 2.830 0.763 1.00 0.00 ATOM 224 OH TYR 28 23.051 1.995 0.038 1.00 0.00 ATOM 225 O TYR 28 17.249 6.024 5.158 1.00 0.00 ATOM 226 C TYR 28 17.397 5.936 3.940 1.00 0.00 ATOM 227 N CYS 29 16.805 6.755 3.079 1.00 0.00 ATOM 228 CA CYS 29 16.047 7.917 3.527 1.00 0.00 ATOM 229 CB CYS 29 15.797 8.869 2.356 1.00 0.00 ATOM 230 SG CYS 29 17.292 9.655 1.710 1.00 0.00 ATOM 231 O CYS 29 14.152 8.205 4.971 1.00 0.00 ATOM 232 C CYS 29 14.719 7.491 4.144 1.00 0.00 ATOM 233 N TYR 30 14.228 6.324 3.738 1.00 0.00 ATOM 234 CA TYR 30 12.839 5.951 3.981 1.00 0.00 ATOM 235 CB TYR 30 11.904 6.941 3.274 1.00 0.00 ATOM 236 CG TYR 30 10.421 6.815 3.597 1.00 0.00 ATOM 237 CD1 TYR 30 9.933 5.838 4.464 1.00 0.00 ATOM 238 CD2 TYR 30 9.505 7.688 3.022 1.00 0.00 ATOM 239 CE1 TYR 30 8.578 5.745 4.742 1.00 0.00 ATOM 240 CE2 TYR 30 8.154 7.598 3.297 1.00 0.00 ATOM 241 CZ TYR 30 7.697 6.625 4.156 1.00 0.00 ATOM 242 OH TYR 30 6.352 6.533 4.431 1.00 0.00 ATOM 243 O TYR 30 12.181 4.364 2.308 1.00 0.00 ATOM 244 C TYR 30 12.594 4.540 3.453 1.00 0.00 ATOM 245 N PRO 31 12.866 3.538 4.283 1.00 0.00 ATOM 246 CA PRO 31 12.922 2.148 3.816 1.00 0.00 ATOM 247 CB PRO 31 13.244 1.376 5.094 1.00 0.00 ATOM 248 CG PRO 31 14.170 2.316 5.838 1.00 0.00 ATOM 249 CD PRO 31 13.555 3.705 5.577 1.00 0.00 ATOM 250 O PRO 31 11.631 0.805 2.319 1.00 0.00 ATOM 251 C PRO 31 11.610 1.656 3.207 1.00 0.00 ATOM 252 N LYS 32 10.486 2.185 3.682 1.00 0.00 ATOM 253 CA LYS 32 9.176 1.665 3.298 1.00 0.00 ATOM 254 CB LYS 32 8.135 1.969 4.379 1.00 0.00 ATOM 255 CG LYS 32 8.287 1.139 5.650 1.00 0.00 ATOM 256 CD LYS 32 7.021 1.188 6.503 1.00 0.00 ATOM 257 CE LYS 32 6.596 2.615 6.838 1.00 0.00 ATOM 258 NZ LYS 32 7.655 3.387 7.566 1.00 0.00 ATOM 259 O LYS 32 7.826 1.748 1.313 1.00 0.00 ATOM 260 C LYS 32 8.726 2.269 1.972 1.00 0.00 ATOM 261 N ALA 33 9.357 3.374 1.590 1.00 0.00 ATOM 262 CA ALA 33 9.030 4.057 0.344 1.00 0.00 ATOM 263 CB ALA 33 9.869 5.322 0.202 1.00 0.00 ATOM 264 O ALA 33 10.008 2.165 -0.766 1.00 0.00 ATOM 265 C ALA 33 9.256 3.135 -0.851 1.00 0.00 ATOM 266 N ILE 34 8.596 3.446 -1.961 1.00 0.00 ATOM 267 CA ILE 34 8.839 2.750 -3.219 1.00 0.00 ATOM 268 CB ILE 34 7.571 2.015 -3.699 1.00 0.00 ATOM 269 CG1 ILE 34 7.115 1.007 -2.639 1.00 0.00 ATOM 270 CG2 ILE 34 7.841 1.307 -5.028 1.00 0.00 ATOM 271 CD1 ILE 34 5.837 0.273 -2.992 1.00 0.00 ATOM 272 O ILE 34 8.541 4.682 -4.615 1.00 0.00 ATOM 273 C ILE 34 9.274 3.746 -4.296 1.00 0.00 ATOM 274 N TRP 35 10.467 3.548 -4.851 1.00 0.00 ATOM 275 CA TRP 35 10.913 4.308 -6.016 1.00 0.00 ATOM 276 CB TRP 35 12.291 3.809 -6.460 1.00 0.00 ATOM 277 CG TRP 35 12.943 4.657 -7.507 1.00 0.00 ATOM 278 CD1 TRP 35 12.896 4.472 -8.858 1.00 0.00 ATOM 279 CD2 TRP 35 13.754 5.818 -7.291 1.00 0.00 ATOM 280 CE2 TRP 35 14.159 6.287 -8.555 1.00 0.00 ATOM 281 CE3 TRP 35 14.174 6.508 -6.149 1.00 0.00 ATOM 282 NE1 TRP 35 13.622 5.448 -9.496 1.00 0.00 ATOM 283 CZ2 TRP 35 14.963 7.414 -8.712 1.00 0.00 ATOM 284 CZ3 TRP 35 14.972 7.627 -6.306 1.00 0.00 ATOM 285 CH2 TRP 35 15.358 8.069 -7.578 1.00 0.00 ATOM 286 O TRP 35 9.331 3.067 -7.317 1.00 0.00 ATOM 287 C TRP 35 9.909 4.142 -7.153 1.00 0.00 ATOM 288 N PRO 36 9.700 5.192 -7.945 1.00 0.00 ATOM 289 CA PRO 36 10.144 6.541 -7.636 1.00 0.00 ATOM 290 CB PRO 36 9.913 7.287 -8.956 1.00 0.00 ATOM 291 CG PRO 36 8.754 6.612 -9.521 1.00 0.00 ATOM 292 CD PRO 36 8.916 5.162 -9.197 1.00 0.00 ATOM 293 O PRO 36 8.213 6.950 -6.285 1.00 0.00 ATOM 294 C PRO 36 9.382 7.206 -6.504 1.00 0.00 ATOM 295 N PHE 37 10.089 8.045 -5.769 1.00 0.00 ATOM 296 CA PHE 37 9.490 8.784 -4.675 1.00 0.00 ATOM 297 CB PHE 37 10.585 9.423 -3.826 1.00 0.00 ATOM 298 CG PHE 37 10.175 9.766 -2.403 1.00 0.00 ATOM 299 CD1 PHE 37 9.338 8.951 -1.641 1.00 0.00 ATOM 300 CD2 PHE 37 10.677 10.928 -1.816 1.00 0.00 ATOM 301 CE1 PHE 37 9.041 9.302 -0.332 1.00 0.00 ATOM 302 CE2 PHE 37 10.376 11.264 -0.516 1.00 0.00 ATOM 303 CZ PHE 37 9.549 10.464 0.221 1.00 0.00 ATOM 304 O PHE 37 8.580 10.133 -6.444 1.00 0.00 ATOM 305 C PHE 37 8.534 9.805 -5.247 1.00 0.00 ATOM 306 N SER 38 7.631 10.268 -4.407 1.00 0.00 ATOM 307 CA SER 38 6.570 11.173 -4.827 1.00 0.00 ATOM 308 CB SER 38 5.380 10.378 -5.370 1.00 0.00 ATOM 309 OG SER 38 4.761 9.619 -4.345 1.00 0.00 ATOM 310 O SER 38 6.304 11.632 -2.488 1.00 0.00 ATOM 311 C SER 38 6.124 12.001 -3.650 1.00 0.00 ATOM 312 N VAL 39 5.491 13.113 -3.955 1.00 0.00 ATOM 313 CA VAL 39 4.947 13.939 -2.918 1.00 0.00 ATOM 314 CB VAL 39 4.383 15.276 -3.481 1.00 0.00 ATOM 315 CG1 VAL 39 5.492 16.129 -4.012 1.00 0.00 ATOM 316 CG2 VAL 39 3.271 15.073 -4.510 1.00 0.00 ATOM 317 O VAL 39 3.796 13.435 -0.886 1.00 0.00 ATOM 318 C VAL 39 3.896 13.198 -2.089 1.00 0.00 ATOM 319 N ALA 40 3.110 12.313 -2.689 1.00 0.00 ATOM 320 CA ALA 40 2.088 11.589 -1.932 1.00 0.00 ATOM 321 CB ALA 40 1.181 10.796 -2.852 1.00 0.00 ATOM 322 O ALA 40 2.285 10.596 0.249 1.00 0.00 ATOM 323 C ALA 40 2.748 10.677 -0.895 1.00 0.00 ATOM 324 N GLN 41 3.825 9.985 -1.270 1.00 0.00 ATOM 325 CA GLN 41 4.530 9.151 -0.291 1.00 0.00 ATOM 326 CB GLN 41 5.634 8.323 -0.936 1.00 0.00 ATOM 327 CG GLN 41 5.127 7.238 -1.885 1.00 0.00 ATOM 328 CD GLN 41 6.261 6.363 -2.375 1.00 0.00 ATOM 329 OE1 GLN 41 6.844 5.626 -1.606 1.00 0.00 ATOM 330 NE2 GLN 41 6.636 6.503 -3.646 1.00 0.00 ATOM 331 O GLN 41 5.127 9.583 1.994 1.00 0.00 ATOM 332 C GLN 41 5.150 9.983 0.821 1.00 0.00 ATOM 333 N LEU 42 5.709 11.146 0.472 1.00 0.00 ATOM 334 CA LEU 42 6.275 12.030 1.476 1.00 0.00 ATOM 335 CB LEU 42 7.042 13.170 0.815 1.00 0.00 ATOM 336 CG LEU 42 7.693 14.171 1.747 1.00 0.00 ATOM 337 CD1 LEU 42 8.668 13.507 2.704 1.00 0.00 ATOM 338 CD2 LEU 42 8.393 15.264 0.965 1.00 0.00 ATOM 339 O LEU 42 5.375 12.562 3.674 1.00 0.00 ATOM 340 C LEU 42 5.191 12.550 2.440 1.00 0.00 ATOM 341 N ALA 43 4.059 12.962 1.893 1.00 0.00 ATOM 342 CA ALA 43 2.987 13.461 2.738 1.00 0.00 ATOM 343 CB ALA 43 1.852 14.030 1.903 1.00 0.00 ATOM 344 O ALA 43 2.143 12.640 4.827 1.00 0.00 ATOM 345 C ALA 43 2.466 12.360 3.669 1.00 0.00 ATOM 346 N ALA 44 2.423 11.118 3.199 1.00 0.00 ATOM 347 CA ALA 44 1.953 10.014 4.041 1.00 0.00 ATOM 348 CB ALA 44 1.807 8.763 3.231 1.00 0.00 ATOM 349 O ALA 44 2.527 9.515 6.323 1.00 0.00 ATOM 350 C ALA 44 2.931 9.788 5.188 1.00 0.00 ATOM 351 N ALA 45 4.222 9.915 4.907 1.00 0.00 ATOM 352 CA ALA 45 5.226 9.805 5.976 1.00 0.00 ATOM 353 CB ALA 45 6.610 9.878 5.422 1.00 0.00 ATOM 354 O ALA 45 5.094 10.608 8.211 1.00 0.00 ATOM 355 C ALA 45 5.062 10.888 7.004 1.00 0.00 ATOM 356 N ILE 46 4.876 12.118 6.550 1.00 0.00 ATOM 357 CA ILE 46 4.735 13.257 7.445 1.00 0.00 ATOM 358 CB ILE 46 4.612 14.562 6.657 1.00 0.00 ATOM 359 CG1 ILE 46 5.969 14.921 6.041 1.00 0.00 ATOM 360 CG2 ILE 46 4.093 15.702 7.518 1.00 0.00 ATOM 361 CD1 ILE 46 5.888 16.040 5.010 1.00 0.00 ATOM 362 O ILE 46 3.598 13.253 9.577 1.00 0.00 ATOM 363 C ILE 46 3.525 13.043 8.356 1.00 0.00 ATOM 364 N ALA 47 2.420 12.579 7.800 1.00 0.00 ATOM 365 CA ALA 47 1.204 12.383 8.588 1.00 0.00 ATOM 366 CB ALA 47 0.051 12.014 7.675 1.00 0.00 ATOM 367 O ALA 47 0.663 11.373 10.689 1.00 0.00 ATOM 368 C ALA 47 1.378 11.323 9.680 1.00 0.00 ATOM 369 N GLU 48 2.264 10.353 9.479 1.00 0.00 ATOM 370 CA GLU 48 2.530 9.256 10.435 1.00 0.00 ATOM 371 CB GLU 48 3.016 8.013 9.669 1.00 0.00 ATOM 372 CG GLU 48 1.991 7.299 8.842 1.00 0.00 ATOM 373 CD GLU 48 2.513 5.975 8.367 1.00 0.00 ATOM 374 OE1 GLU 48 3.703 5.908 7.974 1.00 0.00 ATOM 375 OE2 GLU 48 1.749 4.986 8.413 1.00 0.00 ATOM 376 O GLU 48 3.911 8.751 12.341 1.00 0.00 ATOM 377 C GLU 48 3.627 9.574 11.446 1.00 0.00 ATOM 378 N ARG 49 4.280 10.725 11.289 1.00 0.00 ATOM 379 CA ARG 49 5.479 11.057 12.056 1.00 0.00 ATOM 380 CB ARG 49 6.666 11.086 11.105 1.00 0.00 ATOM 381 CG ARG 49 6.982 9.710 10.614 1.00 0.00 ATOM 382 CD ARG 49 8.018 9.705 9.590 1.00 0.00 ATOM 383 NE ARG 49 8.114 8.333 9.189 1.00 0.00 ATOM 384 CZ ARG 49 9.206 7.727 8.823 1.00 0.00 ATOM 385 NH1 ARG 49 10.353 8.373 8.808 1.00 0.00 ATOM 386 NH2 ARG 49 9.106 6.429 8.497 1.00 0.00 ATOM 387 O ARG 49 4.179 12.871 12.918 1.00 0.00 ATOM 388 C ARG 49 5.283 12.340 12.841 1.00 0.00 ATOM 389 N ARG 50 6.345 12.811 13.485 1.00 0.00 ATOM 390 CA ARG 50 6.307 14.034 14.250 1.00 0.00 ATOM 391 CB ARG 50 6.285 13.768 15.778 1.00 0.00 ATOM 392 CG ARG 50 5.093 13.017 16.278 1.00 0.00 ATOM 393 CD ARG 50 3.841 13.858 16.242 1.00 0.00 ATOM 394 NE ARG 50 2.721 13.102 16.819 1.00 0.00 ATOM 395 CZ ARG 50 1.958 12.230 16.151 1.00 0.00 ATOM 396 NH1 ARG 50 2.154 11.962 14.860 1.00 0.00 ATOM 397 NH2 ARG 50 0.976 11.599 16.783 1.00 0.00 ATOM 398 O ARG 50 8.572 14.373 13.609 1.00 0.00 ATOM 399 C ARG 50 7.505 14.877 13.944 1.00 0.00 ATOM 400 N GLY 51 7.356 16.176 14.092 1.00 0.00 ATOM 401 CA GLY 51 8.489 17.060 14.034 1.00 0.00 ATOM 402 O GLY 51 10.265 17.598 12.556 1.00 0.00 ATOM 403 C GLY 51 9.082 17.294 12.650 1.00 0.00 ATOM 404 N SER 52 8.287 17.167 11.583 1.00 0.00 ATOM 405 CA SER 52 8.791 17.352 10.220 1.00 0.00 ATOM 406 CB SER 52 7.773 16.912 9.163 1.00 0.00 ATOM 407 OG SER 52 7.712 15.489 9.080 1.00 0.00 ATOM 408 O SER 52 8.401 19.700 10.121 1.00 0.00 ATOM 409 C SER 52 9.221 18.782 10.018 1.00 0.00 ATOM 410 N THR 53 10.511 18.952 9.727 1.00 0.00 ATOM 411 CA THR 53 11.221 20.242 9.774 1.00 0.00 ATOM 412 CB THR 53 12.149 20.272 11.005 1.00 0.00 ATOM 413 CG2 THR 53 12.891 21.568 11.145 1.00 0.00 ATOM 414 OG1 THR 53 11.368 20.051 12.180 1.00 0.00 ATOM 415 O THR 53 12.697 19.409 8.069 1.00 0.00 ATOM 416 C THR 53 12.064 20.383 8.497 1.00 0.00 ATOM 417 N VAL 54 12.108 21.579 7.920 1.00 0.00 ATOM 418 CA VAL 54 13.015 21.864 6.841 1.00 0.00 ATOM 419 CB VAL 54 12.286 22.426 5.583 1.00 0.00 ATOM 420 CG1 VAL 54 11.390 21.361 4.953 1.00 0.00 ATOM 421 CG2 VAL 54 11.496 23.698 5.892 1.00 0.00 ATOM 422 O VAL 54 13.886 23.691 8.173 1.00 0.00 ATOM 423 C VAL 54 14.097 22.850 7.282 1.00 0.00 ATOM 424 N ALA 55 15.264 22.720 6.647 1.00 0.00 ATOM 425 CA ALA 55 16.357 23.660 6.767 1.00 0.00 ATOM 426 CB ALA 55 17.675 22.923 6.986 1.00 0.00 ATOM 427 O ALA 55 16.367 23.904 4.408 1.00 0.00 ATOM 428 C ALA 55 16.441 24.475 5.491 1.00 0.00 ATOM 429 N VAL 56 16.629 25.788 5.649 1.00 0.00 ATOM 430 CA VAL 56 16.577 26.757 4.570 1.00 0.00 ATOM 431 CB VAL 56 15.328 27.682 4.752 1.00 0.00 ATOM 432 CG1 VAL 56 15.291 28.780 3.692 1.00 0.00 ATOM 433 CG2 VAL 56 14.051 26.870 4.719 1.00 0.00 ATOM 434 O VAL 56 18.347 28.027 5.589 1.00 0.00 ATOM 435 C VAL 56 17.867 27.585 4.550 1.00 0.00 ATOM 436 N HIS 57 18.423 27.769 3.362 1.00 0.00 ATOM 437 CA HIS 57 19.565 28.665 3.183 1.00 0.00 ATOM 438 CB HIS 57 20.860 27.852 3.138 1.00 0.00 ATOM 439 CG HIS 57 22.032 28.593 2.569 1.00 0.00 ATOM 440 CD2 HIS 57 22.539 28.625 1.316 1.00 0.00 ATOM 441 ND1 HIS 57 22.814 29.436 3.321 1.00 0.00 ATOM 442 CE1 HIS 57 23.752 29.964 2.557 1.00 0.00 ATOM 443 NE2 HIS 57 23.611 29.487 1.335 1.00 0.00 ATOM 444 O HIS 57 19.102 28.830 0.854 1.00 0.00 ATOM 445 C HIS 57 19.397 29.418 1.886 1.00 0.00 ATOM 446 N ASP 58 19.580 30.735 1.941 1.00 0.00 ATOM 447 CA ASP 58 19.462 31.586 0.749 1.00 0.00 ATOM 448 CB ASP 58 20.668 31.382 -0.181 1.00 0.00 ATOM 449 CG ASP 58 20.755 32.412 -1.306 1.00 0.00 ATOM 450 OD1 ASP 58 20.303 33.552 -1.127 1.00 0.00 ATOM 451 OD2 ASP 58 21.281 32.038 -2.369 1.00 0.00 ATOM 452 O ASP 58 18.117 31.223 -1.230 1.00 0.00 ATOM 453 C ASP 58 18.149 31.324 0.011 1.00 0.00 ATOM 454 N GLY 59 17.068 31.211 0.778 1.00 0.00 ATOM 455 CA GLY 59 15.745 30.974 0.200 1.00 0.00 ATOM 456 O GLY 59 14.368 29.306 -0.836 1.00 0.00 ATOM 457 C GLY 59 15.451 29.573 -0.303 1.00 0.00 ATOM 458 N GLN 60 16.385 28.646 -0.137 1.00 0.00 ATOM 459 CA GLN 60 16.185 27.314 -0.682 1.00 0.00 ATOM 460 CB GLN 60 17.385 26.911 -1.526 1.00 0.00 ATOM 461 CG GLN 60 17.809 27.932 -2.578 1.00 0.00 ATOM 462 CD GLN 60 16.738 28.180 -3.621 1.00 0.00 ATOM 463 OE1 GLN 60 16.067 27.257 -4.082 1.00 0.00 ATOM 464 NE2 GLN 60 16.568 29.450 -4.002 1.00 0.00 ATOM 465 O GLN 60 16.786 26.327 1.418 1.00 0.00 ATOM 466 C GLN 60 16.018 26.317 0.445 1.00 0.00 ATOM 467 N VAL 61 15.050 25.425 0.287 1.00 0.00 ATOM 468 CA VAL 61 14.923 24.268 1.169 1.00 0.00 ATOM 469 CB VAL 61 13.550 23.645 1.017 1.00 0.00 ATOM 470 CG1 VAL 61 13.451 22.324 1.779 1.00 0.00 ATOM 471 CG2 VAL 61 12.471 24.618 1.526 1.00 0.00 ATOM 472 O VAL 61 16.049 22.756 -0.302 1.00 0.00 ATOM 473 C VAL 61 16.006 23.243 0.836 1.00 0.00 ATOM 474 N LEU 62 16.917 22.992 1.784 1.00 0.00 ATOM 475 CA LEU 62 18.094 22.152 1.553 1.00 0.00 ATOM 476 CB LEU 62 19.380 22.921 1.874 1.00 0.00 ATOM 477 CG LEU 62 19.688 24.177 1.046 1.00 0.00 ATOM 478 CD1 LEU 62 21.072 24.656 1.360 1.00 0.00 ATOM 479 CD2 LEU 62 19.578 23.850 -0.410 1.00 0.00 ATOM 480 O LEU 62 18.844 19.963 2.061 1.00 0.00 ATOM 481 C LEU 62 18.067 20.859 2.347 1.00 0.00 ATOM 482 N GLY 63 17.206 20.769 3.350 1.00 0.00 ATOM 483 CA GLY 63 17.178 19.589 4.205 1.00 0.00 ATOM 484 O GLY 63 15.053 20.314 4.960 1.00 0.00 ATOM 485 C GLY 63 15.826 19.379 4.839 1.00 0.00 ATOM 486 N PHE 64 15.558 18.125 5.188 1.00 0.00 ATOM 487 CA PHE 64 14.308 17.693 5.801 1.00 0.00 ATOM 488 CB PHE 64 13.347 17.203 4.707 1.00 0.00 ATOM 489 CG PHE 64 12.069 16.591 5.192 1.00 0.00 ATOM 490 CD1 PHE 64 10.956 17.369 5.421 1.00 0.00 ATOM 491 CD2 PHE 64 11.967 15.229 5.373 1.00 0.00 ATOM 492 CE1 PHE 64 9.798 16.796 5.827 1.00 0.00 ATOM 493 CE2 PHE 64 10.799 14.656 5.800 1.00 0.00 ATOM 494 CZ PHE 64 9.718 15.446 6.046 1.00 0.00 ATOM 495 O PHE 64 15.347 15.698 6.529 1.00 0.00 ATOM 496 C PHE 64 14.587 16.604 6.819 1.00 0.00 ATOM 497 N ALA 65 13.939 16.673 7.982 1.00 0.00 ATOM 498 CA ALA 65 14.043 15.621 8.972 1.00 0.00 ATOM 499 CB ALA 65 15.240 15.847 9.857 1.00 0.00 ATOM 500 O ALA 65 11.979 16.470 9.831 1.00 0.00 ATOM 501 C ALA 65 12.764 15.539 9.780 1.00 0.00 ATOM 502 N ASN 66 12.549 14.391 10.415 1.00 0.00 ATOM 503 CA ASN 66 11.464 14.188 11.365 1.00 0.00 ATOM 504 CB ASN 66 10.146 13.874 10.646 1.00 0.00 ATOM 505 CG ASN 66 10.231 12.694 9.738 1.00 0.00 ATOM 506 ND2 ASN 66 9.522 12.783 8.625 1.00 0.00 ATOM 507 OD1 ASN 66 10.854 11.687 10.043 1.00 0.00 ATOM 508 O ASN 66 12.969 12.590 12.341 1.00 0.00 ATOM 509 C ASN 66 11.861 13.100 12.382 1.00 0.00 ATOM 510 N PHE 67 10.932 12.804 13.285 1.00 0.00 ATOM 511 CA PHE 67 11.043 11.650 14.166 1.00 0.00 ATOM 512 CB PHE 67 10.558 11.961 15.591 1.00 0.00 ATOM 513 CG PHE 67 11.315 13.044 16.297 1.00 0.00 ATOM 514 CD1 PHE 67 12.687 13.013 16.408 1.00 0.00 ATOM 515 CD2 PHE 67 10.622 14.082 16.896 1.00 0.00 ATOM 516 CE1 PHE 67 13.350 14.037 17.126 1.00 0.00 ATOM 517 CE2 PHE 67 11.281 15.085 17.577 1.00 0.00 ATOM 518 CZ PHE 67 12.620 15.046 17.713 1.00 0.00 ATOM 519 O PHE 67 8.966 10.784 13.384 1.00 0.00 ATOM 520 C PHE 67 10.125 10.542 13.672 1.00 0.00 ATOM 521 N TYR 68 10.599 9.290 13.686 1.00 0.00 ATOM 522 CA TYR 68 9.666 8.170 13.493 1.00 0.00 ATOM 523 CB TYR 68 10.106 7.151 12.446 1.00 0.00 ATOM 524 CG TYR 68 10.952 5.994 12.938 1.00 0.00 ATOM 525 CD1 TYR 68 10.430 4.697 13.023 1.00 0.00 ATOM 526 CD2 TYR 68 12.269 6.177 13.316 1.00 0.00 ATOM 527 CE1 TYR 68 11.209 3.626 13.448 1.00 0.00 ATOM 528 CE2 TYR 68 13.050 5.108 13.744 1.00 0.00 ATOM 529 CZ TYR 68 12.506 3.858 13.821 1.00 0.00 ATOM 530 OH TYR 68 13.288 2.816 14.235 1.00 0.00 ATOM 531 O TYR 68 8.305 6.718 14.757 1.00 0.00 ATOM 532 C TYR 68 9.263 7.473 14.773 1.00 0.00 ATOM 533 N GLN 69 9.957 7.762 15.878 1.00 0.00 ATOM 534 CA GLN 69 9.529 7.299 17.203 1.00 0.00 ATOM 535 CB GLN 69 10.356 6.098 17.706 1.00 0.00 ATOM 536 CG GLN 69 10.326 4.905 16.801 1.00 0.00 ATOM 537 CD GLN 69 11.230 3.798 17.266 1.00 0.00 ATOM 538 OE1 GLN 69 12.260 4.036 17.891 1.00 0.00 ATOM 539 NE2 GLN 69 10.869 2.579 16.921 1.00 0.00 ATOM 540 O GLN 69 10.587 9.242 18.058 1.00 0.00 ATOM 541 C GLN 69 9.675 8.446 18.175 1.00 0.00 ATOM 542 N TRP 70 8.772 8.505 19.145 1.00 0.00 ATOM 543 CA TRP 70 8.787 9.555 20.148 1.00 0.00 ATOM 544 CB TRP 70 8.066 10.832 19.650 1.00 0.00 ATOM 545 CG TRP 70 6.681 10.570 19.153 1.00 0.00 ATOM 546 CD1 TRP 70 5.516 10.642 19.875 1.00 0.00 ATOM 547 CD2 TRP 70 6.300 10.158 17.835 1.00 0.00 ATOM 548 CE2 TRP 70 4.904 9.990 17.834 1.00 0.00 ATOM 549 CE3 TRP 70 7.000 9.940 16.646 1.00 0.00 ATOM 550 NE1 TRP 70 4.454 10.291 19.090 1.00 0.00 ATOM 551 CZ2 TRP 70 4.197 9.610 16.706 1.00 0.00 ATOM 552 CZ3 TRP 70 6.297 9.538 15.521 1.00 0.00 ATOM 553 CH2 TRP 70 4.910 9.378 15.565 1.00 0.00 ATOM 554 O TRP 70 7.028 8.359 21.286 1.00 0.00 ATOM 555 C TRP 70 8.103 8.953 21.376 1.00 0.00 ATOM 556 N GLN 71 8.767 9.083 22.517 1.00 0.00 ATOM 557 CA GLN 71 8.270 8.520 23.774 1.00 0.00 ATOM 558 CB GLN 71 8.951 7.188 24.055 1.00 0.00 ATOM 559 CG GLN 71 8.570 6.046 23.100 1.00 0.00 ATOM 560 CD GLN 71 7.121 5.606 23.240 1.00 0.00 ATOM 561 OE1 GLN 71 6.488 5.808 24.274 1.00 0.00 ATOM 562 NE2 GLN 71 6.587 5.000 22.188 1.00 0.00 ATOM 563 O GLN 71 9.764 9.736 25.221 1.00 0.00 ATOM 564 C GLN 71 8.597 9.540 24.861 1.00 0.00 ATOM 565 N HIS 72 7.558 10.200 25.365 1.00 0.00 ATOM 566 CA HIS 72 7.744 11.301 26.302 1.00 0.00 ATOM 567 CB HIS 72 6.405 11.893 26.733 1.00 0.00 ATOM 568 CG HIS 72 6.538 13.193 27.466 1.00 0.00 ATOM 569 CD2 HIS 72 6.770 13.453 28.773 1.00 0.00 ATOM 570 ND1 HIS 72 6.462 14.418 26.838 1.00 0.00 ATOM 571 CE1 HIS 72 6.646 15.376 27.730 1.00 0.00 ATOM 572 NE2 HIS 72 6.829 14.817 28.913 1.00 0.00 ATOM 573 O HIS 72 8.223 9.781 28.112 1.00 0.00 ATOM 574 C HIS 72 8.531 10.835 27.530 1.00 0.00 ATOM 575 N GLY 73 9.545 11.614 27.914 1.00 0.00 ATOM 576 CA GLY 73 10.368 11.292 29.070 1.00 0.00 ATOM 577 O GLY 73 12.163 9.888 29.710 1.00 0.00 ATOM 578 C GLY 73 11.435 10.258 28.809 1.00 0.00 ATOM 579 N ASP 74 11.570 9.803 27.564 1.00 0.00 ATOM 580 CA ASP 74 12.355 8.624 27.289 1.00 0.00 ATOM 581 CB ASP 74 11.399 7.443 27.046 1.00 0.00 ATOM 582 CG ASP 74 12.077 6.109 27.082 1.00 0.00 ATOM 583 OD1 ASP 74 13.315 6.057 27.178 1.00 0.00 ATOM 584 OD2 ASP 74 11.351 5.093 26.970 1.00 0.00 ATOM 585 O ASP 74 14.499 9.213 26.361 1.00 0.00 ATOM 586 C ASP 74 13.322 8.910 26.126 1.00 0.00 ATOM 587 N PHE 75 12.824 8.844 24.892 1.00 0.00 ATOM 588 CA PHE 75 13.675 9.023 23.747 1.00 0.00 ATOM 589 CB PHE 75 14.415 7.724 23.403 1.00 0.00 ATOM 590 CG PHE 75 13.527 6.650 22.818 1.00 0.00 ATOM 591 CD1 PHE 75 13.366 6.530 21.441 1.00 0.00 ATOM 592 CD2 PHE 75 12.839 5.787 23.639 1.00 0.00 ATOM 593 CE1 PHE 75 12.545 5.570 20.906 1.00 0.00 ATOM 594 CE2 PHE 75 11.999 4.823 23.109 1.00 0.00 ATOM 595 CZ PHE 75 11.853 4.713 21.742 1.00 0.00 ATOM 596 O PHE 75 11.637 9.317 22.548 1.00 0.00 ATOM 597 C PHE 75 12.850 9.463 22.558 1.00 0.00 ATOM 598 N CYS 76 13.551 10.004 21.560 1.00 0.00 ATOM 599 CA CYS 76 13.021 10.103 20.199 1.00 0.00 ATOM 600 CB CYS 76 12.819 11.551 19.775 1.00 0.00 ATOM 601 SG CYS 76 11.586 12.399 20.772 1.00 0.00 ATOM 602 O CYS 76 15.195 9.245 19.609 1.00 0.00 ATOM 603 C CYS 76 14.017 9.433 19.261 1.00 0.00 ATOM 604 N ALA 77 13.535 9.041 18.092 1.00 0.00 ATOM 605 CA ALA 77 14.367 8.411 17.071 1.00 0.00 ATOM 606 CB ALA 77 13.987 6.933 16.888 1.00 0.00 ATOM 607 O ALA 77 13.083 9.414 15.321 1.00 0.00 ATOM 608 C ALA 77 14.200 9.150 15.767 1.00 0.00 ATOM 609 N LEU 78 15.326 9.493 15.170 1.00 0.00 ATOM 610 CA LEU 78 15.350 10.132 13.862 1.00 0.00 ATOM 611 CB LEU 78 16.792 10.354 13.437 1.00 0.00 ATOM 612 CG LEU 78 16.958 11.059 12.110 1.00 0.00 ATOM 613 CD1 LEU 78 16.611 12.521 12.240 1.00 0.00 ATOM 614 CD2 LEU 78 18.401 10.859 11.624 1.00 0.00 ATOM 615 O LEU 78 14.882 8.106 12.685 1.00 0.00 ATOM 616 C LEU 78 14.630 9.291 12.826 1.00 0.00 ATOM 617 N GLY 79 13.714 9.919 12.111 1.00 0.00 ATOM 618 CA GLY 79 13.007 9.282 10.999 1.00 0.00 ATOM 619 O GLY 79 14.856 9.145 9.489 1.00 0.00 ATOM 620 C GLY 79 13.714 9.571 9.707 1.00 0.00 ATOM 621 N ASN 80 13.026 10.230 8.794 1.00 0.00 ATOM 622 CA ASN 80 13.619 10.629 7.536 1.00 0.00 ATOM 623 CB ASN 80 12.515 11.251 6.650 1.00 0.00 ATOM 624 CG ASN 80 11.330 10.335 6.424 1.00 0.00 ATOM 625 ND2 ASN 80 11.578 9.140 5.885 1.00 0.00 ATOM 626 OD1 ASN 80 10.203 10.693 6.746 1.00 0.00 ATOM 627 O ASN 80 14.558 12.568 8.596 1.00 0.00 ATOM 628 C ASN 80 14.699 11.694 7.754 1.00 0.00 ATOM 629 N MET 81 15.793 11.607 7.021 1.00 0.00 ATOM 630 CA MET 81 16.815 12.650 6.938 1.00 0.00 ATOM 631 CB MET 81 18.058 12.309 7.762 1.00 0.00 ATOM 632 CG MET 81 19.223 13.300 7.509 1.00 0.00 ATOM 633 SD MET 81 18.877 15.165 7.981 1.00 0.00 ATOM 634 CE MET 81 19.152 14.872 9.370 1.00 0.00 ATOM 635 O MET 81 17.695 11.749 4.908 1.00 0.00 ATOM 636 C MET 81 17.196 12.724 5.465 1.00 0.00 ATOM 637 N MET 82 16.942 13.877 4.857 1.00 0.00 ATOM 638 CA MET 82 17.133 14.068 3.432 1.00 0.00 ATOM 639 CB MET 82 15.777 14.032 2.718 1.00 0.00 ATOM 640 CG MET 82 14.812 12.909 3.131 1.00 0.00 ATOM 641 SD MET 82 13.438 12.679 1.761 1.00 0.00 ATOM 642 CE MET 82 12.387 11.301 2.761 1.00 0.00 ATOM 643 O MET 82 17.468 16.394 3.853 1.00 0.00 ATOM 644 C MET 82 17.820 15.415 3.211 1.00 0.00 ATOM 645 N VAL 83 18.797 15.456 2.312 1.00 0.00 ATOM 646 CA VAL 83 19.514 16.688 2.013 1.00 0.00 ATOM 647 CB VAL 83 20.933 16.675 2.675 1.00 0.00 ATOM 648 CG1 VAL 83 21.752 17.928 2.309 1.00 0.00 ATOM 649 CG2 VAL 83 20.790 16.599 4.181 1.00 0.00 ATOM 650 O VAL 83 19.963 15.882 -0.205 1.00 0.00 ATOM 651 C VAL 83 19.642 16.839 0.503 1.00 0.00 ATOM 652 N ALA 84 19.437 18.058 0.024 1.00 0.00 ATOM 653 CA ALA 84 19.591 18.352 -1.383 1.00 0.00 ATOM 654 CB ALA 84 19.357 19.833 -1.574 1.00 0.00 ATOM 655 O ALA 84 21.974 18.369 -1.211 1.00 0.00 ATOM 656 C ALA 84 21.002 18.012 -1.856 1.00 0.00 ATOM 657 N PRO 85 21.111 17.351 -3.004 1.00 0.00 ATOM 658 CA PRO 85 22.418 16.943 -3.542 1.00 0.00 ATOM 659 CB PRO 85 22.090 16.565 -4.993 1.00 0.00 ATOM 660 CG PRO 85 20.654 16.084 -4.925 1.00 0.00 ATOM 661 CD PRO 85 20.013 17.052 -3.941 1.00 0.00 ATOM 662 O PRO 85 24.595 17.826 -3.060 1.00 0.00 ATOM 663 C PRO 85 23.473 18.054 -3.511 1.00 0.00 ATOM 664 N ALA 86 23.105 19.240 -3.986 1.00 0.00 ATOM 665 CA ALA 86 24.030 20.354 -4.117 1.00 0.00 ATOM 666 CB ALA 86 23.362 21.512 -4.856 1.00 0.00 ATOM 667 O ALA 86 25.580 21.511 -2.695 1.00 0.00 ATOM 668 C ALA 86 24.550 20.830 -2.767 1.00 0.00 ATOM 669 N ALA 87 23.833 20.483 -1.697 1.00 0.00 ATOM 670 CA ALA 87 24.123 20.978 -0.359 1.00 0.00 ATOM 671 CB ALA 87 22.871 21.502 0.292 1.00 0.00 ATOM 672 O ALA 87 25.025 20.198 1.698 1.00 0.00 ATOM 673 C ALA 87 24.757 19.930 0.532 1.00 0.00 ATOM 674 N ARG 88 25.032 18.746 0.016 1.00 0.00 ATOM 675 CA ARG 88 25.607 17.714 0.872 1.00 0.00 ATOM 676 CB ARG 88 25.473 16.373 0.210 1.00 0.00 ATOM 677 CG ARG 88 24.019 15.941 0.178 1.00 0.00 ATOM 678 CD ARG 88 23.839 14.680 -0.525 1.00 0.00 ATOM 679 NE ARG 88 22.432 14.415 -0.815 1.00 0.00 ATOM 680 CZ ARG 88 22.041 13.383 -1.539 1.00 0.00 ATOM 681 NH1 ARG 88 22.948 12.548 -2.014 1.00 0.00 ATOM 682 NH2 ARG 88 20.764 13.205 -1.805 1.00 0.00 ATOM 683 O ARG 88 27.810 18.569 0.512 1.00 0.00 ATOM 684 C ARG 88 27.043 17.996 1.274 1.00 0.00 ATOM 685 N GLY 89 27.393 17.605 2.492 1.00 0.00 ATOM 686 CA GLY 89 28.726 17.893 2.993 1.00 0.00 ATOM 687 O GLY 89 30.060 19.650 3.874 1.00 0.00 ATOM 688 C GLY 89 28.930 19.292 3.524 1.00 0.00 ATOM 689 N LEU 90 27.858 20.085 3.601 1.00 0.00 ATOM 690 CA LEU 90 27.953 21.505 3.980 1.00 0.00 ATOM 691 CB LEU 90 27.303 22.393 2.921 1.00 0.00 ATOM 692 CG LEU 90 27.788 22.187 1.491 1.00 0.00 ATOM 693 CD1 LEU 90 27.156 23.237 0.600 1.00 0.00 ATOM 694 CD2 LEU 90 29.326 22.244 1.380 1.00 0.00 ATOM 695 O LEU 90 27.194 23.016 5.705 1.00 0.00 ATOM 696 C LEU 90 27.346 21.847 5.340 1.00 0.00 ATOM 697 N GLY 91 26.986 20.841 6.103 1.00 0.00 ATOM 698 CA GLY 91 26.513 21.064 7.454 1.00 0.00 ATOM 699 O GLY 91 24.518 21.392 8.671 1.00 0.00 ATOM 700 C GLY 91 25.005 21.095 7.589 1.00 0.00 ATOM 701 N VAL 92 24.266 20.771 6.532 1.00 0.00 ATOM 702 CA VAL 92 22.802 20.799 6.618 1.00 0.00 ATOM 703 CB VAL 92 22.162 20.711 5.223 1.00 0.00 ATOM 704 CG1 VAL 92 20.634 20.646 5.347 1.00 0.00 ATOM 705 CG2 VAL 92 22.585 21.910 4.363 1.00 0.00 ATOM 706 O VAL 92 21.445 19.935 8.412 1.00 0.00 ATOM 707 C VAL 92 22.272 19.681 7.539 1.00 0.00 ATOM 708 N ALA 93 22.746 18.459 7.356 1.00 0.00 ATOM 709 CA ALA 93 22.359 17.364 8.254 1.00 0.00 ATOM 710 CB ALA 93 22.870 16.039 7.751 1.00 0.00 ATOM 711 O ALA 93 22.082 17.420 10.621 1.00 0.00 ATOM 712 C ALA 93 22.837 17.633 9.686 1.00 0.00 ATOM 713 N ARG 94 24.070 18.100 9.874 1.00 0.00 ATOM 714 CA ARG 94 24.545 18.457 11.221 1.00 0.00 ATOM 715 CB ARG 94 25.975 19.021 11.177 1.00 0.00 ATOM 716 CG ARG 94 26.448 19.670 12.480 1.00 0.00 ATOM 717 CD ARG 94 27.847 20.257 12.352 1.00 0.00 ATOM 718 NE ARG 94 28.859 19.219 12.180 1.00 0.00 ATOM 719 CZ ARG 94 29.648 18.740 13.145 1.00 0.00 ATOM 720 NH1 ARG 94 29.567 19.191 14.397 1.00 0.00 ATOM 721 NH2 ARG 94 30.535 17.795 12.850 1.00 0.00 ATOM 722 O ARG 94 23.192 19.333 13.021 1.00 0.00 ATOM 723 C ARG 94 23.597 19.477 11.856 1.00 0.00 ATOM 724 N TYR 95 23.258 20.521 11.105 1.00 0.00 ATOM 725 CA TYR 95 22.362 21.540 11.623 1.00 0.00 ATOM 726 CB TYR 95 22.177 22.607 10.536 1.00 0.00 ATOM 727 CG TYR 95 21.165 23.672 10.879 1.00 0.00 ATOM 728 CD1 TYR 95 21.462 24.695 11.759 1.00 0.00 ATOM 729 CD2 TYR 95 19.898 23.663 10.307 1.00 0.00 ATOM 730 CE1 TYR 95 20.523 25.686 12.075 1.00 0.00 ATOM 731 CE2 TYR 95 18.965 24.636 10.618 1.00 0.00 ATOM 732 CZ TYR 95 19.286 25.646 11.491 1.00 0.00 ATOM 733 OH TYR 95 18.353 26.612 11.773 1.00 0.00 ATOM 734 O TYR 95 20.504 21.198 13.113 1.00 0.00 ATOM 735 C TYR 95 21.014 20.946 12.016 1.00 0.00 ATOM 736 N LEU 96 20.416 20.172 11.126 1.00 0.00 ATOM 737 CA LEU 96 19.114 19.556 11.421 1.00 0.00 ATOM 738 CB LEU 96 18.552 18.841 10.192 1.00 0.00 ATOM 739 CG LEU 96 17.855 19.779 9.217 1.00 0.00 ATOM 740 CD1 LEU 96 17.488 19.064 7.928 1.00 0.00 ATOM 741 CD2 LEU 96 16.600 20.399 9.875 1.00 0.00 ATOM 742 O LEU 96 18.168 18.518 13.343 1.00 0.00 ATOM 743 C LEU 96 19.148 18.596 12.585 1.00 0.00 ATOM 744 N ILE 97 20.214 17.819 12.722 1.00 0.00 ATOM 745 CA ILE 97 20.308 16.951 13.895 1.00 0.00 ATOM 746 CB ILE 97 21.544 16.031 13.839 1.00 0.00 ATOM 747 CG1 ILE 97 21.398 15.000 12.696 1.00 0.00 ATOM 748 CG2 ILE 97 21.755 15.310 15.182 1.00 0.00 ATOM 749 CD1 ILE 97 20.344 13.970 12.925 1.00 0.00 ATOM 750 O ILE 97 19.594 17.384 16.129 1.00 0.00 ATOM 751 C ILE 97 20.269 17.772 15.185 1.00 0.00 ATOM 752 N GLY 98 20.955 18.908 15.207 1.00 0.00 ATOM 753 CA GLY 98 20.916 19.782 16.381 1.00 0.00 ATOM 754 O GLY 98 19.071 20.364 17.807 1.00 0.00 ATOM 755 C GLY 98 19.521 20.296 16.660 1.00 0.00 ATOM 756 N VAL 99 18.807 20.648 15.601 1.00 0.00 ATOM 757 CA VAL 99 17.430 21.126 15.757 1.00 0.00 ATOM 758 CB VAL 99 16.889 21.638 14.396 1.00 0.00 ATOM 759 CG1 VAL 99 15.388 21.905 14.458 1.00 0.00 ATOM 760 CG2 VAL 99 17.657 22.909 13.970 1.00 0.00 ATOM 761 O VAL 99 15.716 20.232 17.198 1.00 0.00 ATOM 762 C VAL 99 16.526 20.012 16.289 1.00 0.00 ATOM 763 N MET 100 16.694 18.797 15.771 1.00 0.00 ATOM 764 CA MET 100 15.874 17.695 16.219 1.00 0.00 ATOM 765 CB MET 100 16.030 16.498 15.293 1.00 0.00 ATOM 766 CG MET 100 15.640 16.755 13.805 1.00 0.00 ATOM 767 SD MET 100 13.891 17.600 13.568 1.00 0.00 ATOM 768 CE MET 100 12.960 16.117 14.106 1.00 0.00 ATOM 769 O MET 100 15.333 16.925 18.410 1.00 0.00 ATOM 770 C MET 100 16.220 17.303 17.666 1.00 0.00 ATOM 771 N GLU 101 17.499 17.337 18.047 1.00 0.00 ATOM 772 CA GLU 101 17.891 17.116 19.448 1.00 0.00 ATOM 773 CB GLU 101 19.408 17.206 19.607 1.00 0.00 ATOM 774 CG GLU 101 20.184 16.040 18.988 1.00 0.00 ATOM 775 CD GLU 101 21.668 16.249 18.924 1.00 0.00 ATOM 776 OE1 GLU 101 22.150 17.379 19.105 1.00 0.00 ATOM 777 OE2 GLU 101 22.383 15.295 18.614 1.00 0.00 ATOM 778 O GLU 101 16.701 17.692 21.444 1.00 0.00 ATOM 779 C GLU 101 17.204 18.120 20.386 1.00 0.00 ATOM 780 N ASN 102 17.204 19.428 20.045 1.00 0.00 ATOM 781 CA ASN 102 16.516 20.394 20.854 1.00 0.00 ATOM 782 CB ASN 102 16.787 21.788 20.327 1.00 0.00 ATOM 783 CG ASN 102 18.203 22.283 20.620 1.00 0.00 ATOM 784 ND2 ASN 102 18.628 23.301 19.885 1.00 0.00 ATOM 785 OD1 ASN 102 18.896 21.763 21.487 1.00 0.00 ATOM 786 O ASN 102 14.429 20.232 21.964 1.00 0.00 ATOM 787 C ASN 102 15.020 20.134 20.910 1.00 0.00 ATOM 788 N LEU 103 14.388 19.777 19.796 1.00 0.00 ATOM 789 CA LEU 103 12.981 19.491 19.818 1.00 0.00 ATOM 790 CB LEU 103 12.502 19.180 18.408 1.00 0.00 ATOM 791 CG LEU 103 11.005 19.012 18.176 1.00 0.00 ATOM 792 CD1 LEU 103 10.267 20.303 18.525 1.00 0.00 ATOM 793 CD2 LEU 103 10.739 18.635 16.748 1.00 0.00 ATOM 794 O LEU 103 11.723 18.177 21.468 1.00 0.00 ATOM 795 C LEU 103 12.701 18.217 20.695 1.00 0.00 ATOM 796 N ALA 104 13.526 17.159 20.600 1.00 0.00 ATOM 797 CA ALA 104 13.379 15.991 21.479 1.00 0.00 ATOM 798 CB ALA 104 14.461 14.963 21.152 1.00 0.00 ATOM 799 O ALA 104 12.637 15.940 23.781 1.00 0.00 ATOM 800 C ALA 104 13.447 16.395 22.956 1.00 0.00 ATOM 801 N ARG 105 14.420 17.231 23.287 1.00 0.00 ATOM 802 CA ARG 105 14.573 17.726 24.669 1.00 0.00 ATOM 803 CB ARG 105 15.796 18.627 24.782 1.00 0.00 ATOM 804 CG ARG 105 17.111 17.900 24.807 1.00 0.00 ATOM 805 CD ARG 105 18.238 18.798 25.313 1.00 0.00 ATOM 806 NE ARG 105 18.822 19.569 24.230 1.00 0.00 ATOM 807 CZ ARG 105 19.830 19.153 23.460 1.00 0.00 ATOM 808 NH1 ARG 105 20.403 17.972 23.643 1.00 0.00 ATOM 809 NH2 ARG 105 20.276 19.935 22.502 1.00 0.00 ATOM 810 O ARG 105 12.858 18.319 26.219 1.00 0.00 ATOM 811 C ARG 105 13.382 18.530 25.122 1.00 0.00 ATOM 812 N GLU 106 12.969 19.487 24.300 1.00 0.00 ATOM 813 CA GLU 106 11.944 20.452 24.712 1.00 0.00 ATOM 814 CB GLU 106 11.982 21.687 23.816 1.00 0.00 ATOM 815 CG GLU 106 13.193 22.571 24.057 1.00 0.00 ATOM 816 CD GLU 106 13.370 22.940 25.519 1.00 0.00 ATOM 817 OE1 GLU 106 12.381 23.391 26.138 1.00 0.00 ATOM 818 OE2 GLU 106 14.493 22.770 26.047 1.00 0.00 ATOM 819 O GLU 106 9.848 19.886 25.726 1.00 0.00 ATOM 820 C GLU 106 10.556 19.850 24.703 1.00 0.00 ATOM 821 N GLN 107 10.166 19.279 23.570 1.00 0.00 ATOM 822 CA GLN 107 8.792 18.763 23.416 1.00 0.00 ATOM 823 CB GLN 107 8.361 18.707 21.958 1.00 0.00 ATOM 824 CG GLN 107 6.851 18.907 21.831 1.00 0.00 ATOM 825 CD GLN 107 6.208 18.222 20.638 1.00 0.00 ATOM 826 OE1 GLN 107 6.864 17.898 19.640 1.00 0.00 ATOM 827 NE2 GLN 107 4.898 18.014 20.727 1.00 0.00 ATOM 828 O GLN 107 7.436 17.142 24.561 1.00 0.00 ATOM 829 C GLN 107 8.541 17.401 24.045 1.00 0.00 ATOM 830 N TYR 108 9.545 16.537 24.027 1.00 0.00 ATOM 831 CA TYR 108 9.355 15.177 24.481 1.00 0.00 ATOM 832 CB TYR 108 9.721 14.190 23.356 1.00 0.00 ATOM 833 CG TYR 108 8.763 14.342 22.212 1.00 0.00 ATOM 834 CD1 TYR 108 7.504 13.759 22.264 1.00 0.00 ATOM 835 CD2 TYR 108 9.084 15.121 21.102 1.00 0.00 ATOM 836 CE1 TYR 108 6.587 13.914 21.232 1.00 0.00 ATOM 837 CE2 TYR 108 8.172 15.288 20.067 1.00 0.00 ATOM 838 CZ TYR 108 6.933 14.673 20.137 1.00 0.00 ATOM 839 OH TYR 108 6.024 14.839 19.107 1.00 0.00 ATOM 840 O TYR 108 9.989 13.750 26.253 1.00 0.00 ATOM 841 C TYR 108 10.100 14.861 25.770 1.00 0.00 ATOM 842 N LYS 109 10.859 15.822 26.304 1.00 0.00 ATOM 843 CA LYS 109 11.656 15.610 27.521 1.00 0.00 ATOM 844 CB LYS 109 10.766 15.607 28.783 1.00 0.00 ATOM 845 CG LYS 109 9.771 16.761 28.852 1.00 0.00 ATOM 846 CD LYS 109 10.411 18.141 28.768 1.00 0.00 ATOM 847 CE LYS 109 9.427 19.255 29.147 1.00 0.00 ATOM 848 NZ LYS 109 9.683 20.532 28.433 1.00 0.00 ATOM 849 O LYS 109 12.651 13.563 28.334 1.00 0.00 ATOM 850 C LYS 109 12.492 14.344 27.399 1.00 0.00 ATOM 851 N ALA 110 13.048 14.164 26.200 1.00 0.00 ATOM 852 CA ALA 110 13.843 12.993 25.916 1.00 0.00 ATOM 853 CB ALA 110 14.104 12.919 24.427 1.00 0.00 ATOM 854 O ALA 110 15.802 14.054 26.758 1.00 0.00 ATOM 855 C ALA 110 15.162 13.014 26.656 1.00 0.00 ATOM 856 N ARG 111 15.567 11.848 27.115 1.00 0.00 ATOM 857 CA ARG 111 16.893 11.628 27.633 1.00 0.00 ATOM 858 CB ARG 111 16.909 10.610 28.776 1.00 0.00 ATOM 859 CG ARG 111 16.646 11.165 30.104 1.00 0.00 ATOM 860 CD ARG 111 15.255 11.679 30.203 1.00 0.00 ATOM 861 NE ARG 111 14.912 11.713 31.628 1.00 0.00 ATOM 862 CZ ARG 111 13.789 12.179 32.110 1.00 0.00 ATOM 863 NH1 ARG 111 12.881 12.766 31.326 1.00 0.00 ATOM 864 NH2 ARG 111 13.594 12.072 33.404 1.00 0.00 ATOM 865 O ARG 111 19.014 10.986 26.981 1.00 0.00 ATOM 866 C ARG 111 17.893 11.086 26.677 1.00 0.00 ATOM 867 N LEU 112 17.403 10.697 25.526 1.00 0.00 ATOM 868 CA LEU 112 18.206 9.967 24.573 1.00 0.00 ATOM 869 CB LEU 112 18.042 8.484 24.870 1.00 0.00 ATOM 870 CG LEU 112 18.997 7.541 24.178 1.00 0.00 ATOM 871 CD1 LEU 112 20.380 7.550 24.875 1.00 0.00 ATOM 872 CD2 LEU 112 18.434 6.135 24.127 1.00 0.00 ATOM 873 O LEU 112 16.474 10.334 22.970 1.00 0.00 ATOM 874 C LEU 112 17.679 10.261 23.165 1.00 0.00 ATOM 875 N MET 113 18.578 10.435 22.210 1.00 0.00 ATOM 876 CA MET 113 18.215 10.414 20.804 1.00 0.00 ATOM 877 CB MET 113 18.757 11.635 20.085 1.00 0.00 ATOM 878 CG MET 113 18.383 11.627 18.615 1.00 0.00 ATOM 879 SD MET 113 16.639 12.252 18.299 1.00 0.00 ATOM 880 CE MET 113 17.343 13.812 17.990 1.00 0.00 ATOM 881 O MET 113 19.956 8.862 20.354 1.00 0.00 ATOM 882 C MET 113 18.787 9.167 20.170 1.00 0.00 ATOM 883 N LYS 114 17.930 8.453 19.439 1.00 0.00 ATOM 884 CA LYS 114 18.328 7.277 18.656 1.00 0.00 ATOM 885 CB LYS 114 17.305 6.154 18.816 1.00 0.00 ATOM 886 CG LYS 114 17.111 5.670 20.252 1.00 0.00 ATOM 887 CD LYS 114 16.211 4.456 20.289 1.00 0.00 ATOM 888 CE LYS 114 15.913 4.038 21.735 1.00 0.00 ATOM 889 NZ LYS 114 15.186 2.740 21.791 1.00 0.00 ATOM 890 O LYS 114 17.607 8.355 16.649 1.00 0.00 ATOM 891 C LYS 114 18.467 7.660 17.188 1.00 0.00 ATOM 892 N ILE 115 19.543 7.188 16.556 1.00 0.00 ATOM 893 CA ILE 115 19.739 7.307 15.109 1.00 0.00 ATOM 894 CB ILE 115 20.816 8.343 14.733 1.00 0.00 ATOM 895 CG1 ILE 115 20.381 9.734 15.186 1.00 0.00 ATOM 896 CG2 ILE 115 21.041 8.342 13.235 1.00 0.00 ATOM 897 CD1 ILE 115 21.364 10.842 14.866 1.00 0.00 ATOM 898 O ILE 115 21.151 5.380 15.045 1.00 0.00 ATOM 899 C ILE 115 20.167 5.947 14.577 1.00 0.00 ATOM 900 N SER 116 19.426 5.427 13.600 1.00 0.00 ATOM 901 CA SER 116 19.822 4.239 12.888 1.00 0.00 ATOM 902 CB SER 116 18.634 3.307 12.698 1.00 0.00 ATOM 903 OG SER 116 18.154 2.819 13.930 1.00 0.00 ATOM 904 O SER 116 19.894 5.590 10.918 1.00 0.00 ATOM 905 C SER 116 20.390 4.661 11.544 1.00 0.00 ATOM 906 N CYS 117 21.407 3.948 11.085 1.00 0.00 ATOM 907 CA CYS 117 22.075 4.270 9.833 1.00 0.00 ATOM 908 CB CYS 117 23.332 5.062 10.181 1.00 0.00 ATOM 909 SG CYS 117 24.241 5.743 8.816 1.00 0.00 ATOM 910 O CYS 117 23.068 2.105 9.687 1.00 0.00 ATOM 911 C CYS 117 22.447 2.999 9.103 1.00 0.00 ATOM 912 N PHE 118 22.095 2.916 7.834 1.00 0.00 ATOM 913 CA PHE 118 22.439 1.745 7.039 1.00 0.00 ATOM 914 CB PHE 118 21.656 1.736 5.728 1.00 0.00 ATOM 915 CG PHE 118 20.231 1.365 5.907 1.00 0.00 ATOM 916 CD1 PHE 118 19.867 0.055 6.078 1.00 0.00 ATOM 917 CD2 PHE 118 19.242 2.330 5.902 1.00 0.00 ATOM 918 CE1 PHE 118 18.541 -0.293 6.262 1.00 0.00 ATOM 919 CE2 PHE 118 17.931 1.996 6.055 1.00 0.00 ATOM 920 CZ PHE 118 17.562 0.694 6.234 1.00 0.00 ATOM 921 O PHE 118 24.617 2.718 6.691 1.00 0.00 ATOM 922 C PHE 118 23.934 1.695 6.773 1.00 0.00 ATOM 923 N ASN 119 24.455 0.481 6.694 1.00 0.00 ATOM 924 CA ASN 119 25.892 0.301 6.605 1.00 0.00 ATOM 925 CB ASN 119 26.260 -1.184 6.648 1.00 0.00 ATOM 926 CG ASN 119 25.852 -1.928 5.408 1.00 0.00 ATOM 927 ND2 ASN 119 26.803 -2.107 4.498 1.00 0.00 ATOM 928 OD1 ASN 119 24.705 -2.364 5.275 1.00 0.00 ATOM 929 O ASN 119 27.678 1.431 5.508 1.00 0.00 ATOM 930 C ASN 119 26.535 0.984 5.413 1.00 0.00 ATOM 931 N ALA 120 25.798 1.111 4.307 1.00 0.00 ATOM 932 CA ALA 120 26.373 1.733 3.125 1.00 0.00 ATOM 933 CB ALA 120 25.486 1.477 1.912 1.00 0.00 ATOM 934 O ALA 120 27.381 3.841 2.542 1.00 0.00 ATOM 935 C ALA 120 26.598 3.236 3.288 1.00 0.00 ATOM 936 N ASN 121 25.907 3.846 4.247 1.00 0.00 ATOM 937 CA ASN 121 25.964 5.284 4.433 1.00 0.00 ATOM 938 CB ASN 121 24.612 5.775 4.957 1.00 0.00 ATOM 939 CG ASN 121 24.530 7.284 5.075 1.00 0.00 ATOM 940 ND2 ASN 121 23.439 7.776 5.659 1.00 0.00 ATOM 941 OD1 ASN 121 25.435 7.997 4.658 1.00 0.00 ATOM 942 O ASN 121 26.998 6.051 6.471 1.00 0.00 ATOM 943 C ASN 121 27.149 5.688 5.326 1.00 0.00 ATOM 944 N ALA 122 28.353 5.602 4.763 1.00 0.00 ATOM 945 CA ALA 122 29.568 5.939 5.487 1.00 0.00 ATOM 946 CB ALA 122 30.777 5.713 4.623 1.00 0.00 ATOM 947 O ALA 122 29.948 7.703 7.067 1.00 0.00 ATOM 948 C ALA 122 29.533 7.390 5.966 1.00 0.00 ATOM 949 N ALA 123 29.045 8.285 5.122 1.00 0.00 ATOM 950 CA ALA 123 29.058 9.681 5.462 1.00 0.00 ATOM 951 CB ALA 123 28.598 10.509 4.271 1.00 0.00 ATOM 952 O ALA 123 28.565 10.679 7.608 1.00 0.00 ATOM 953 C ALA 123 28.186 9.936 6.697 1.00 0.00 ATOM 954 N GLY 124 27.053 9.241 6.757 1.00 0.00 ATOM 955 CA GLY 124 26.172 9.304 7.932 1.00 0.00 ATOM 956 O GLY 124 26.859 9.379 10.208 1.00 0.00 ATOM 957 C GLY 124 26.843 8.758 9.170 1.00 0.00 ATOM 958 N LEU 125 27.414 7.573 9.053 1.00 0.00 ATOM 959 CA LEU 125 28.083 6.953 10.197 1.00 0.00 ATOM 960 CB LEU 125 28.709 5.617 9.803 1.00 0.00 ATOM 961 CG LEU 125 27.729 4.497 9.460 1.00 0.00 ATOM 962 CD1 LEU 125 28.465 3.333 8.834 1.00 0.00 ATOM 963 CD2 LEU 125 26.916 3.994 10.666 1.00 0.00 ATOM 964 O LEU 125 29.271 8.013 11.989 1.00 0.00 ATOM 965 C LEU 125 29.146 7.873 10.768 1.00 0.00 ATOM 966 N LEU 126 29.949 8.472 9.884 1.00 0.00 ATOM 967 CA LEU 126 31.014 9.380 10.307 1.00 0.00 ATOM 968 CB LEU 126 31.994 9.652 9.162 1.00 0.00 ATOM 969 CG LEU 126 32.744 8.394 8.694 1.00 0.00 ATOM 970 CD1 LEU 126 33.465 8.742 7.391 1.00 0.00 ATOM 971 CD2 LEU 126 33.691 7.872 9.782 1.00 0.00 ATOM 972 O LEU 126 31.020 11.148 11.925 1.00 0.00 ATOM 973 C LEU 126 30.493 10.678 10.915 1.00 0.00 ATOM 974 N LEU 127 29.453 11.243 10.327 1.00 0.00 ATOM 975 CA LEU 127 28.857 12.475 10.877 1.00 0.00 ATOM 976 CB LEU 127 27.766 13.011 9.942 1.00 0.00 ATOM 977 CG LEU 127 26.927 14.163 10.519 1.00 0.00 ATOM 978 CD1 LEU 127 27.778 15.386 10.799 1.00 0.00 ATOM 979 CD2 LEU 127 25.735 14.478 9.633 1.00 0.00 ATOM 980 O LEU 127 28.517 12.956 13.221 1.00 0.00 ATOM 981 C LEU 127 28.257 12.235 12.264 1.00 0.00 ATOM 982 N TYR 128 27.431 11.208 12.386 1.00 0.00 ATOM 983 CA TYR 128 26.815 10.934 13.681 1.00 0.00 ATOM 984 CB TYR 128 25.802 9.786 13.599 1.00 0.00 ATOM 985 CG TYR 128 24.739 9.944 12.541 1.00 0.00 ATOM 986 CD1 TYR 128 24.111 11.155 12.325 1.00 0.00 ATOM 987 CD2 TYR 128 24.367 8.850 11.768 1.00 0.00 ATOM 988 CE1 TYR 128 23.122 11.265 11.312 1.00 0.00 ATOM 989 CE2 TYR 128 23.422 8.936 10.803 1.00 0.00 ATOM 990 CZ TYR 128 22.787 10.144 10.585 1.00 0.00 ATOM 991 OH TYR 128 21.806 10.215 9.619 1.00 0.00 ATOM 992 O TYR 128 27.705 11.087 15.893 1.00 0.00 ATOM 993 C TYR 128 27.867 10.670 14.754 1.00 0.00 ATOM 994 N THR 129 28.980 10.037 14.376 1.00 0.00 ATOM 995 CA THR 129 30.086 9.825 15.291 1.00 0.00 ATOM 996 CB THR 129 31.156 8.897 14.661 1.00 0.00 ATOM 997 CG2 THR 129 32.336 8.734 15.579 1.00 0.00 ATOM 998 OG1 THR 129 30.557 7.625 14.414 1.00 0.00 ATOM 999 O THR 129 30.848 11.405 16.929 1.00 0.00 ATOM 1000 C THR 129 30.643 11.185 15.734 1.00 0.00 ATOM 1001 N GLN 130 30.882 12.082 14.783 1.00 0.00 ATOM 1002 CA GLN 130 31.369 13.430 15.118 1.00 0.00 ATOM 1003 CB GLN 130 31.523 14.269 13.845 1.00 0.00 ATOM 1004 CG GLN 130 32.670 13.865 12.939 1.00 0.00 ATOM 1005 CD GLN 130 32.612 14.525 11.564 1.00 0.00 ATOM 1006 OE1 GLN 130 31.610 15.144 11.192 1.00 0.00 ATOM 1007 NE2 GLN 130 33.691 14.377 10.790 1.00 0.00 ATOM 1008 O GLN 130 30.866 14.939 16.952 1.00 0.00 ATOM 1009 C GLN 130 30.423 14.142 16.096 1.00 0.00 ATOM 1010 N LEU 131 29.134 13.854 15.982 1.00 0.00 ATOM 1011 CA LEU 131 28.132 14.503 16.842 1.00 0.00 ATOM 1012 CB LEU 131 26.797 14.619 16.095 1.00 0.00 ATOM 1013 CG LEU 131 26.835 15.440 14.811 1.00 0.00 ATOM 1014 CD1 LEU 131 25.446 15.522 14.193 1.00 0.00 ATOM 1015 CD2 LEU 131 27.420 16.813 15.048 1.00 0.00 ATOM 1016 O LEU 131 27.055 14.216 18.972 1.00 0.00 ATOM 1017 C LEU 131 27.929 13.819 18.195 1.00 0.00 ATOM 1018 N GLY 132 28.726 12.794 18.479 1.00 0.00 ATOM 1019 CA GLY 132 28.707 12.134 19.777 1.00 0.00 ATOM 1020 O GLY 132 27.588 10.461 20.997 1.00 0.00 ATOM 1021 C GLY 132 27.807 10.936 19.902 1.00 0.00 ATOM 1022 N TYR 133 27.278 10.442 18.781 1.00 0.00 ATOM 1023 CA TYR 133 26.488 9.223 18.776 1.00 0.00 ATOM 1024 CB TYR 133 25.579 9.133 17.530 1.00 0.00 ATOM 1025 CG TYR 133 24.447 10.135 17.610 1.00 0.00 ATOM 1026 CD1 TYR 133 23.174 9.749 18.059 1.00 0.00 ATOM 1027 CD2 TYR 133 24.665 11.470 17.318 1.00 0.00 ATOM 1028 CE1 TYR 133 22.170 10.663 18.215 1.00 0.00 ATOM 1029 CE2 TYR 133 23.636 12.392 17.468 1.00 0.00 ATOM 1030 CZ TYR 133 22.403 11.971 17.921 1.00 0.00 ATOM 1031 OH TYR 133 21.392 12.879 18.107 1.00 0.00 ATOM 1032 O TYR 133 28.542 8.078 18.261 1.00 0.00 ATOM 1033 C TYR 133 27.438 8.035 18.838 1.00 0.00 ATOM 1034 N GLN 134 27.000 7.006 19.550 1.00 0.00 ATOM 1035 CA GLN 134 27.790 5.790 19.702 1.00 0.00 ATOM 1036 CB GLN 134 28.131 5.538 21.160 1.00 0.00 ATOM 1037 CG GLN 134 29.196 6.408 21.710 1.00 0.00 ATOM 1038 CD GLN 134 29.399 6.122 23.162 1.00 0.00 ATOM 1039 OE1 GLN 134 29.160 6.988 23.989 1.00 0.00 ATOM 1040 NE2 GLN 134 29.799 4.885 23.498 1.00 0.00 ATOM 1041 O GLN 134 25.786 4.564 19.399 1.00 0.00 ATOM 1042 C GLN 134 26.982 4.620 19.201 1.00 0.00 ATOM 1043 N PRO 135 27.644 3.643 18.599 1.00 0.00 ATOM 1044 CA PRO 135 26.922 2.487 18.128 1.00 0.00 ATOM 1045 CB PRO 135 27.922 1.831 17.171 1.00 0.00 ATOM 1046 CG PRO 135 29.269 2.130 17.758 1.00 0.00 ATOM 1047 CD PRO 135 29.093 3.536 18.343 1.00 0.00 ATOM 1048 O PRO 135 27.367 1.335 20.164 1.00 0.00 ATOM 1049 C PRO 135 26.547 1.565 19.285 1.00 0.00 ATOM 1050 N ARG 136 25.322 1.046 19.269 1.00 0.00 ATOM 1051 CA ARG 136 24.835 0.155 20.307 1.00 0.00 ATOM 1052 CB ARG 136 23.572 0.753 20.939 1.00 0.00 ATOM 1053 CG ARG 136 23.848 2.075 21.636 1.00 0.00 ATOM 1054 CD ARG 136 24.878 1.955 22.753 1.00 0.00 ATOM 1055 NE ARG 136 25.113 3.238 23.399 1.00 0.00 ATOM 1056 CZ ARG 136 26.062 3.443 24.298 1.00 0.00 ATOM 1057 NH1 ARG 136 26.841 2.438 24.673 1.00 0.00 ATOM 1058 NH2 ARG 136 26.236 4.642 24.833 1.00 0.00 ATOM 1059 O ARG 136 24.847 -2.206 20.516 1.00 0.00 ATOM 1060 C ARG 136 24.561 -1.245 19.813 1.00 0.00 ATOM 1061 N ALA 137 24.009 -1.374 18.611 1.00 0.00 ATOM 1062 CA ALA 137 23.632 -2.680 18.090 1.00 0.00 ATOM 1063 CB ALA 137 22.279 -3.127 18.594 1.00 0.00 ATOM 1064 O ALA 137 23.650 -1.550 16.000 1.00 0.00 ATOM 1065 C ALA 137 23.628 -2.620 16.590 1.00 0.00 ATOM 1066 N ILE 138 23.616 -3.792 15.980 1.00 0.00 ATOM 1067 CA ILE 138 23.512 -3.959 14.538 1.00 0.00 ATOM 1068 CB ILE 138 24.813 -4.509 13.948 1.00 0.00 ATOM 1069 CG1 ILE 138 25.989 -3.603 14.335 1.00 0.00 ATOM 1070 CG2 ILE 138 24.655 -4.687 12.418 1.00 0.00 ATOM 1071 CD1 ILE 138 27.290 -3.988 13.668 1.00 0.00 ATOM 1072 O ILE 138 22.331 -6.023 14.752 1.00 0.00 ATOM 1073 C ILE 138 22.355 -4.899 14.252 1.00 0.00 ATOM 1074 N ALA 139 21.398 -4.435 13.446 1.00 0.00 ATOM 1075 CA ALA 139 20.222 -5.198 13.097 1.00 0.00 ATOM 1076 CB ALA 139 18.971 -4.375 13.363 1.00 0.00 ATOM 1077 O ALA 139 20.967 -4.894 10.851 1.00 0.00 ATOM 1078 C ALA 139 20.300 -5.559 11.628 1.00 0.00 ATOM 1079 N GLU 140 19.613 -6.622 11.236 1.00 0.00 ATOM 1080 CA GLU 140 19.550 -7.032 9.844 1.00 0.00 ATOM 1081 CB GLU 140 19.505 -8.561 9.757 1.00 0.00 ATOM 1082 CG GLU 140 19.391 -9.058 8.330 1.00 0.00 ATOM 1083 CD GLU 140 19.564 -10.544 8.222 1.00 0.00 ATOM 1084 OE1 GLU 140 18.554 -11.257 8.221 1.00 0.00 ATOM 1085 OE2 GLU 140 20.723 -10.996 8.184 1.00 0.00 ATOM 1086 O GLU 140 17.224 -6.447 9.714 1.00 0.00 ATOM 1087 C GLU 140 18.324 -6.429 9.168 1.00 0.00 ATOM 1088 N ARG 141 18.526 -5.920 7.961 1.00 0.00 ATOM 1089 CA ARG 141 17.419 -5.478 7.117 1.00 0.00 ATOM 1090 CB ARG 141 17.268 -3.938 7.128 1.00 0.00 ATOM 1091 CG ARG 141 17.011 -3.294 8.512 1.00 0.00 ATOM 1092 CD ARG 141 15.586 -3.550 8.980 1.00 0.00 ATOM 1093 NE ARG 141 15.292 -2.890 10.255 1.00 0.00 ATOM 1094 CZ ARG 141 15.421 -3.467 11.451 1.00 0.00 ATOM 1095 NH1 ARG 141 15.836 -4.713 11.588 1.00 0.00 ATOM 1096 NH2 ARG 141 15.126 -2.781 12.545 1.00 0.00 ATOM 1097 O ARG 141 18.694 -6.555 5.410 1.00 0.00 ATOM 1098 C ARG 141 17.646 -5.992 5.702 1.00 0.00 ATOM 1099 N HIS 142 16.650 -5.798 4.849 1.00 0.00 ATOM 1100 CA HIS 142 16.757 -6.217 3.451 1.00 0.00 ATOM 1101 CB HIS 142 15.796 -7.362 3.142 1.00 0.00 ATOM 1102 CG HIS 142 16.189 -8.654 3.758 1.00 0.00 ATOM 1103 CD2 HIS 142 16.802 -9.737 3.225 1.00 0.00 ATOM 1104 ND1 HIS 142 15.949 -8.953 5.082 1.00 0.00 ATOM 1105 CE1 HIS 142 16.397 -10.170 5.335 1.00 0.00 ATOM 1106 NE2 HIS 142 16.923 -10.665 4.228 1.00 0.00 ATOM 1107 O HIS 142 15.453 -4.360 2.764 1.00 0.00 ATOM 1108 C HIS 142 16.442 -5.047 2.557 1.00 0.00 ATOM 1109 N ASP 143 17.282 -4.848 1.556 1.00 0.00 ATOM 1110 CA ASP 143 17.126 -3.754 0.620 1.00 0.00 ATOM 1111 CB ASP 143 18.502 -3.267 0.122 1.00 0.00 ATOM 1112 CG ASP 143 19.139 -4.141 -0.952 1.00 0.00 ATOM 1113 OD1 ASP 143 18.514 -5.073 -1.508 1.00 0.00 ATOM 1114 OD2 ASP 143 20.312 -3.850 -1.258 1.00 0.00 ATOM 1115 O ASP 143 15.615 -5.266 -0.486 1.00 0.00 ATOM 1116 C ASP 143 16.125 -4.147 -0.476 1.00 0.00 ATOM 1117 N PRO 144 15.792 -3.226 -1.367 1.00 0.00 ATOM 1118 CA PRO 144 14.775 -3.543 -2.379 1.00 0.00 ATOM 1119 CB PRO 144 14.625 -2.221 -3.125 1.00 0.00 ATOM 1120 CG PRO 144 15.039 -1.182 -2.128 1.00 0.00 ATOM 1121 CD PRO 144 16.206 -1.813 -1.443 1.00 0.00 ATOM 1122 O PRO 144 14.196 -5.227 -3.970 1.00 0.00 ATOM 1123 C PRO 144 15.112 -4.681 -3.333 1.00 0.00 ATOM 1124 N ASP 145 16.389 -5.032 -3.448 1.00 0.00 ATOM 1125 CA ASP 145 16.808 -6.186 -4.259 1.00 0.00 ATOM 1126 CB ASP 145 18.180 -5.900 -4.854 1.00 0.00 ATOM 1127 CG ASP 145 18.166 -4.698 -5.777 1.00 0.00 ATOM 1128 OD1 ASP 145 17.503 -4.801 -6.825 1.00 0.00 ATOM 1129 OD2 ASP 145 18.803 -3.667 -5.475 1.00 0.00 ATOM 1130 O ASP 145 17.274 -8.505 -3.902 1.00 0.00 ATOM 1131 C ASP 145 16.828 -7.472 -3.427 1.00 0.00 ATOM 1132 N GLY 146 16.339 -7.417 -2.195 1.00 0.00 ATOM 1133 CA GLY 146 16.342 -8.565 -1.316 1.00 0.00 ATOM 1134 O GLY 146 17.882 -9.980 -0.172 1.00 0.00 ATOM 1135 C GLY 146 17.701 -8.892 -0.724 1.00 0.00 ATOM 1136 N ARG 147 18.672 -7.983 -0.841 1.00 0.00 ATOM 1137 CA ARG 147 19.999 -8.211 -0.287 1.00 0.00 ATOM 1138 CB ARG 147 21.046 -7.453 -1.080 1.00 0.00 ATOM 1139 CG ARG 147 21.082 -7.889 -2.529 1.00 0.00 ATOM 1140 CD ARG 147 22.195 -7.191 -3.300 1.00 0.00 ATOM 1141 NE ARG 147 22.274 -7.752 -4.640 1.00 0.00 ATOM 1142 CZ ARG 147 21.961 -7.120 -5.771 1.00 0.00 ATOM 1143 NH1 ARG 147 21.603 -5.845 -5.795 1.00 0.00 ATOM 1144 NH2 ARG 147 22.062 -7.787 -6.912 1.00 0.00 ATOM 1145 O ARG 147 19.424 -6.805 1.576 1.00 0.00 ATOM 1146 C ARG 147 20.047 -7.788 1.171 1.00 0.00 ATOM 1147 N ARG 148 20.766 -8.569 1.964 1.00 0.00 ATOM 1148 CA ARG 148 20.943 -8.305 3.381 1.00 0.00 ATOM 1149 CB ARG 148 21.588 -9.515 4.068 1.00 0.00 ATOM 1150 CG ARG 148 20.636 -10.695 4.171 1.00 0.00 ATOM 1151 CD ARG 148 21.341 -11.995 4.528 1.00 0.00 ATOM 1152 NE ARG 148 21.717 -12.088 5.943 1.00 0.00 ATOM 1153 CZ ARG 148 22.972 -12.143 6.392 1.00 0.00 ATOM 1154 NH1 ARG 148 23.192 -12.261 7.697 1.00 0.00 ATOM 1155 NH2 ARG 148 24.006 -12.080 5.556 1.00 0.00 ATOM 1156 O ARG 148 22.884 -6.952 2.953 1.00 0.00 ATOM 1157 C ARG 148 21.826 -7.083 3.574 1.00 0.00 ATOM 1158 N VAL 149 21.369 -6.187 4.439 1.00 0.00 ATOM 1159 CA VAL 149 22.141 -5.028 4.830 1.00 0.00 ATOM 1160 CB VAL 149 21.609 -3.726 4.196 1.00 0.00 ATOM 1161 CG1 VAL 149 21.778 -3.782 2.684 1.00 0.00 ATOM 1162 CG2 VAL 149 20.169 -3.436 4.588 1.00 0.00 ATOM 1163 O VAL 149 21.325 -5.600 7.039 1.00 0.00 ATOM 1164 C VAL 149 22.131 -4.951 6.360 1.00 0.00 ATOM 1165 N ALA 150 23.075 -4.188 6.903 1.00 0.00 ATOM 1166 CA ALA 150 23.224 -4.026 8.341 1.00 0.00 ATOM 1167 CB ALA 150 24.660 -4.244 8.726 1.00 0.00 ATOM 1168 O ALA 150 23.211 -1.647 8.155 1.00 0.00 ATOM 1169 C ALA 150 22.769 -2.627 8.727 1.00 0.00 ATOM 1170 N LEU 151 21.892 -2.548 9.704 1.00 0.00 ATOM 1171 CA LEU 151 21.424 -1.274 10.223 1.00 0.00 ATOM 1172 CB LEU 151 19.913 -1.310 10.399 1.00 0.00 ATOM 1173 CG LEU 151 19.278 0.004 10.872 1.00 0.00 ATOM 1174 CD1 LEU 151 19.300 1.059 9.781 1.00 0.00 ATOM 1175 CD2 LEU 151 17.892 -0.302 11.323 1.00 0.00 ATOM 1176 O LEU 151 21.945 -1.751 12.524 1.00 0.00 ATOM 1177 C LEU 151 22.143 -1.005 11.549 1.00 0.00 ATOM 1178 N ILE 152 22.977 0.036 11.580 1.00 0.00 ATOM 1179 CA ILE 152 23.742 0.348 12.793 1.00 0.00 ATOM 1180 CB ILE 152 25.071 0.990 12.424 1.00 0.00 ATOM 1181 CG1 ILE 152 25.894 0.031 11.548 1.00 0.00 ATOM 1182 CG2 ILE 152 25.866 1.350 13.668 1.00 0.00 ATOM 1183 CD1 ILE 152 25.866 0.327 10.148 1.00 0.00 ATOM 1184 O ILE 152 22.562 2.374 13.233 1.00 0.00 ATOM 1185 C ILE 152 22.916 1.279 13.655 1.00 0.00 ATOM 1186 N GLN 153 22.555 0.782 14.833 1.00 0.00 ATOM 1187 CA GLN 153 21.656 1.479 15.744 1.00 0.00 ATOM 1188 CB GLN 153 20.716 0.482 16.417 1.00 0.00 ATOM 1189 CG GLN 153 19.823 -0.216 15.378 1.00 0.00 ATOM 1190 CD GLN 153 19.100 -1.442 15.879 1.00 0.00 ATOM 1191 OE1 GLN 153 19.699 -2.308 16.497 1.00 0.00 ATOM 1192 NE2 GLN 153 17.802 -1.552 15.550 1.00 0.00 ATOM 1193 O GLN 153 23.261 1.583 17.526 1.00 0.00 ATOM 1194 C GLN 153 22.503 2.217 16.765 1.00 0.00 ATOM 1195 N MET 154 22.414 3.545 16.733 1.00 0.00 ATOM 1196 CA MET 154 23.252 4.419 17.530 1.00 0.00 ATOM 1197 CB MET 154 24.005 5.363 16.601 1.00 0.00 ATOM 1198 CG MET 154 24.705 4.684 15.441 1.00 0.00 ATOM 1199 SD MET 154 25.669 5.873 14.267 1.00 0.00 ATOM 1200 CE MET 154 27.093 6.312 15.376 1.00 0.00 ATOM 1201 O MET 154 21.196 5.427 18.261 1.00 0.00 ATOM 1202 C MET 154 22.404 5.258 18.477 1.00 0.00 ATOM 1203 N ASP 155 23.022 5.828 19.509 1.00 0.00 ATOM 1204 CA ASP 155 22.295 6.750 20.371 1.00 0.00 ATOM 1205 CB ASP 155 21.367 5.991 21.363 1.00 0.00 ATOM 1206 CG ASP 155 22.104 5.134 22.375 1.00 0.00 ATOM 1207 OD1 ASP 155 23.305 5.336 22.578 1.00 0.00 ATOM 1208 OD2 ASP 155 21.431 4.264 22.977 1.00 0.00 ATOM 1209 O ASP 155 24.479 7.649 20.909 1.00 0.00 ATOM 1210 C ASP 155 23.251 7.744 21.030 1.00 0.00 ATOM 1211 N LYS 156 22.641 8.733 21.677 1.00 0.00 ATOM 1212 CA LYS 156 23.360 9.808 22.340 1.00 0.00 ATOM 1213 CB LYS 156 23.615 10.955 21.356 1.00 0.00 ATOM 1214 CG LYS 156 24.358 12.187 21.886 1.00 0.00 ATOM 1215 CD LYS 156 24.271 13.289 20.813 1.00 0.00 ATOM 1216 CE LYS 156 24.751 14.622 21.265 1.00 0.00 ATOM 1217 NZ LYS 156 24.824 15.456 20.058 1.00 0.00 ATOM 1218 O LYS 156 21.298 10.554 23.269 1.00 0.00 ATOM 1219 C LYS 156 22.487 10.324 23.475 1.00 0.00 ATOM 1220 N PRO 157 23.071 10.534 24.676 1.00 0.00 ATOM 1221 CA PRO 157 22.285 11.132 25.747 1.00 0.00 ATOM 1222 CB PRO 157 23.185 11.007 26.985 1.00 0.00 ATOM 1223 CG PRO 157 24.548 10.819 26.456 1.00 0.00 ATOM 1224 CD PRO 157 24.458 10.251 25.084 1.00 0.00 ATOM 1225 O PRO 157 22.769 13.300 24.859 1.00 0.00 ATOM 1226 C PRO 157 21.961 12.580 25.467 1.00 0.00 ATOM 1227 N LEU 158 20.781 12.988 25.942 1.00 0.00 ATOM 1228 CA LEU 158 20.326 14.376 25.913 1.00 0.00 ATOM 1229 CB LEU 158 19.044 14.529 25.094 1.00 0.00 ATOM 1230 CG LEU 158 19.024 13.965 23.676 1.00 0.00 ATOM 1231 CD1 LEU 158 17.633 14.056 23.134 1.00 0.00 ATOM 1232 CD2 LEU 158 20.025 14.637 22.787 1.00 0.00 ATOM 1233 O LEU 158 19.258 14.138 28.049 1.00 0.00 ATOM 1234 C LEU 158 20.024 14.784 27.353 1.00 0.00 ATOM 1235 N GLU 159 20.626 15.856 27.794 1.00 0.00 ATOM 1236 CA GLU 159 20.349 16.344 29.137 1.00 0.00 ATOM 1237 CB GLU 159 21.643 16.834 29.784 1.00 0.00 ATOM 1238 CG GLU 159 22.594 15.679 30.144 1.00 0.00 ATOM 1239 CD GLU 159 23.727 16.081 31.080 1.00 0.00 ATOM 1240 OE1 GLU 159 23.888 17.291 31.358 1.00 0.00 ATOM 1241 OE2 GLU 159 24.457 15.169 31.540 1.00 0.00 ATOM 1242 O GLU 159 18.774 17.799 28.050 1.00 0.00 ATOM 1243 C GLU 159 19.227 17.383 29.102 1.00 0.00 ATOM 1244 N PRO 160 18.716 17.761 30.266 1.00 0.00 ATOM 1245 CA PRO 160 17.623 18.718 30.274 1.00 0.00 ATOM 1246 CB PRO 160 17.349 18.915 31.768 1.00 0.00 ATOM 1247 CG PRO 160 17.858 17.687 32.408 1.00 0.00 ATOM 1248 CD PRO 160 19.065 17.315 31.623 1.00 0.00 ATOM 1249 O PRO 160 17.133 20.658 29.008 1.00 0.00 ATOM 1250 C PRO 160 17.992 20.036 29.603 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 T0374.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0374)Q107.C and (T0374)Y108.C only 0.000 apart, marking (T0374)Y108.C as missing WARNING: atoms too close: (T0374)Y108.N and (T0374)K109.N only 0.000 apart, marking (T0374)Y108.N as missing WARNING: atoms too close: (T0374)Y108.CA and (T0374)K109.CA only 0.000 apart, marking (T0374)Y108.CA as missing # WARNING: incomplete conformation T0374 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 = 0.919 # GDT_score = -59.375 # GDT_score(maxd=8.000,maxw=2.900)= -59.786 # GDT_score(maxd=8.000,maxw=3.200)= -56.804 # GDT_score(maxd=8.000,maxw=3.500)= -54.045 # GDT_score(maxd=10.000,maxw=3.800)= -57.266 # GDT_score(maxd=10.000,maxw=4.000)= -55.524 # GDT_score(maxd=10.000,maxw=4.200)= -53.853 # GDT_score(maxd=12.000,maxw=4.300)= -57.429 # GDT_score(maxd=12.000,maxw=4.500)= -55.768 # GDT_score(maxd=12.000,maxw=4.700)= -54.131 # GDT_score(maxd=14.000,maxw=5.200)= -53.674 # GDT_score(maxd=14.000,maxw=5.500)= -51.462 # command:# ReadConformPDB reading from PDB file T0374.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0374)Q107.C and (T0374)Y108.C only 0.000 apart, marking (T0374)Y108.C as missing WARNING: atoms too close: (T0374)Y108.N and (T0374)K109.N only 0.000 apart, marking (T0374)Y108.N as missing WARNING: atoms too close: (T0374)Y108.CA and (T0374)K109.CA only 0.000 apart, marking (T0374)Y108.CA as missing # WARNING: incomplete conformation T0374 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 = 0.938 # GDT_score = -67.188 # GDT_score(maxd=8.000,maxw=2.900)= -70.453 # GDT_score(maxd=8.000,maxw=3.200)= -66.623 # GDT_score(maxd=8.000,maxw=3.500)= -63.035 # GDT_score(maxd=10.000,maxw=3.800)= -65.759 # GDT_score(maxd=10.000,maxw=4.000)= -63.522 # GDT_score(maxd=10.000,maxw=4.200)= -61.400 # GDT_score(maxd=12.000,maxw=4.300)= -64.985 # GDT_score(maxd=12.000,maxw=4.500)= -62.929 # GDT_score(maxd=12.000,maxw=4.700)= -60.991 # GDT_score(maxd=14.000,maxw=5.200)= -59.959 # GDT_score(maxd=14.000,maxw=5.500)= -57.345 # command:# ReadConformPDB reading from PDB file T0374.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0374)A45.C and (T0374)I46.C only 0.000 apart, marking (T0374)I46.C as missing WARNING: atoms too close: (T0374)I46.N and (T0374)A47.N only 0.000 apart, marking (T0374)I46.N as missing WARNING: atoms too close: (T0374)I46.CA and (T0374)A47.CA only 0.000 apart, marking (T0374)I46.CA as missing WARNING: atoms too close: (T0374)L78.C and (T0374)G79.C only 0.000 apart, marking (T0374)G79.C as missing WARNING: atoms too close: (T0374)G79.N and (T0374)N80.N only 0.000 apart, marking (T0374)G79.N as missing WARNING: atoms too close: (T0374)G79.CA and (T0374)N80.CA only 0.000 apart, marking (T0374)G79.CA as missing WARNING: atoms too close: (T0374)Q107.C and (T0374)Y108.C only 0.000 apart, marking (T0374)Y108.C as missing WARNING: atoms too close: (T0374)Y108.N and (T0374)K109.N only 0.000 apart, marking (T0374)Y108.N as missing WARNING: atoms too close: (T0374)Y108.CA and (T0374)K109.CA only 0.000 apart, marking (T0374)Y108.CA as missing # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0374.undertaker-align.pdb looking for model 4 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0374.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0374)Q41.C and (T0374)I46.C only 0.000 apart, marking (T0374)I46.C as missing WARNING: atoms too close: (T0374)L42.N and (T0374)A47.N only 0.000 apart, marking (T0374)L42.N as missing WARNING: atoms too close: (T0374)L42.CA and (T0374)A47.CA only 0.000 apart, marking (T0374)L42.CA as missing WARNING: atoms too close: (T0374)L78.C and (T0374)G79.C only 0.000 apart, marking (T0374)G79.C as missing WARNING: atoms too close: (T0374)G79.N and (T0374)N80.N only 0.000 apart, marking (T0374)G79.N as missing WARNING: atoms too close: (T0374)G79.CA and (T0374)N80.CA only 0.000 apart, marking (T0374)G79.CA as missing WARNING: atoms too close: (T0374)Q107.C and (T0374)Y108.C only 0.000 apart, marking (T0374)Y108.C as missing WARNING: atoms too close: (T0374)Y108.N and (T0374)K109.N only 0.000 apart, marking (T0374)Y108.N as missing WARNING: atoms too close: (T0374)Y108.CA and (T0374)K109.CA only 0.000 apart, marking (T0374)Y108.CA as missing # WARNING: incomplete conformation T0374 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 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 108 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try1-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 108 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try10-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try11-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try11-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try11-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try12-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try12-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try13-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try13-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try13-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try14-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try14-opt1.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try14-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 141 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try14-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 141 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try14-opt2.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try14-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try15-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try15-opt1.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try15-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try15-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try15-opt2.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try15-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try2-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try3-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try4-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try5-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try6-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try7-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try8-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try9-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0374.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2136477443.pdb -s /var/tmp/to_scwrl_2136477443.seq -o /var/tmp/from_scwrl_2136477443.pdb > /var/tmp/scwrl_2136477443.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2136477443.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 T0374 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_136449297.pdb -s /var/tmp/to_scwrl_136449297.seq -o /var/tmp/from_scwrl_136449297.pdb > /var/tmp/scwrl_136449297.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_136449297.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 T0374 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_326521593.pdb -s /var/tmp/to_scwrl_326521593.seq -o /var/tmp/from_scwrl_326521593.pdb > /var/tmp/scwrl_326521593.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_326521593.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 T0374 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_7195986.pdb -s /var/tmp/to_scwrl_7195986.seq -o /var/tmp/from_scwrl_7195986.pdb > /var/tmp/scwrl_7195986.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_7195986.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 T0374 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_57715957.pdb -s /var/tmp/to_scwrl_57715957.seq -o /var/tmp/from_scwrl_57715957.pdb > /var/tmp/scwrl_57715957.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_57715957.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS5-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_967849014.pdb -s /var/tmp/to_scwrl_967849014.seq -o /var/tmp/from_scwrl_967849014.pdb > /var/tmp/scwrl_967849014.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_967849014.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2111853330.pdb -s /var/tmp/to_scwrl_2111853330.seq -o /var/tmp/from_scwrl_2111853330.pdb > /var/tmp/scwrl_2111853330.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2111853330.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1060072921.pdb -s /var/tmp/to_scwrl_1060072921.seq -o /var/tmp/from_scwrl_1060072921.pdb > /var/tmp/scwrl_1060072921.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1060072921.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1062857990.pdb -s /var/tmp/to_scwrl_1062857990.seq -o /var/tmp/from_scwrl_1062857990.pdb > /var/tmp/scwrl_1062857990.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1062857990.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_755060846.pdb -s /var/tmp/to_scwrl_755060846.seq -o /var/tmp/from_scwrl_755060846.pdb > /var/tmp/scwrl_755060846.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_755060846.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 T0374 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_96972039.pdb -s /var/tmp/to_scwrl_96972039.seq -o /var/tmp/from_scwrl_96972039.pdb > /var/tmp/scwrl_96972039.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_96972039.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_661699612.pdb -s /var/tmp/to_scwrl_661699612.seq -o /var/tmp/from_scwrl_661699612.pdb > /var/tmp/scwrl_661699612.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_661699612.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1348444489.pdb -s /var/tmp/to_scwrl_1348444489.seq -o /var/tmp/from_scwrl_1348444489.pdb > /var/tmp/scwrl_1348444489.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1348444489.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2130955020.pdb -s /var/tmp/to_scwrl_2130955020.seq -o /var/tmp/from_scwrl_2130955020.pdb > /var/tmp/scwrl_2130955020.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2130955020.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_994114912.pdb -s /var/tmp/to_scwrl_994114912.seq -o /var/tmp/from_scwrl_994114912.pdb > /var/tmp/scwrl_994114912.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_994114912.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS5-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2023997983.pdb -s /var/tmp/to_scwrl_2023997983.seq -o /var/tmp/from_scwrl_2023997983.pdb > /var/tmp/scwrl_2023997983.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2023997983.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 30 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_752730765.pdb -s /var/tmp/to_scwrl_752730765.seq -o /var/tmp/from_scwrl_752730765.pdb > /var/tmp/scwrl_752730765.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_752730765.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 142 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_864526764.pdb -s /var/tmp/to_scwrl_864526764.seq -o /var/tmp/from_scwrl_864526764.pdb > /var/tmp/scwrl_864526764.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_864526764.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 147 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_263403842.pdb -s /var/tmp/to_scwrl_263403842.seq -o /var/tmp/from_scwrl_263403842.pdb > /var/tmp/scwrl_263403842.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_263403842.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 64 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_676754765.pdb -s /var/tmp/to_scwrl_676754765.seq -o /var/tmp/from_scwrl_676754765.pdb > /var/tmp/scwrl_676754765.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_676754765.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 151 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_946439406.pdb -s /var/tmp/to_scwrl_946439406.seq -o /var/tmp/from_scwrl_946439406.pdb > /var/tmp/scwrl_946439406.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_946439406.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 151 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_145742710.pdb -s /var/tmp/to_scwrl_145742710.seq -o /var/tmp/from_scwrl_145742710.pdb > /var/tmp/scwrl_145742710.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_145742710.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 121 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1409543546.pdb -s /var/tmp/to_scwrl_1409543546.seq -o /var/tmp/from_scwrl_1409543546.pdb > /var/tmp/scwrl_1409543546.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1409543546.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 159 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2101451155.pdb -s /var/tmp/to_scwrl_2101451155.seq -o /var/tmp/from_scwrl_2101451155.pdb > /var/tmp/scwrl_2101451155.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2101451155.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 156 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2066365315.pdb -s /var/tmp/to_scwrl_2066365315.seq -o /var/tmp/from_scwrl_2066365315.pdb > /var/tmp/scwrl_2066365315.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2066365315.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 47 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_18911051.pdb -s /var/tmp/to_scwrl_18911051.seq -o /var/tmp/from_scwrl_18911051.pdb > /var/tmp/scwrl_18911051.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_18911051.pdb # conformation set from SCWRL output # naming current conformation BayesHH_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS1.pdb.gz looking for model 1 # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1726026927.pdb -s /var/tmp/to_scwrl_1726026927.seq -o /var/tmp/from_scwrl_1726026927.pdb > /var/tmp/scwrl_1726026927.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1726026927.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS2.pdb.gz looking for model 1 # Found a chain break before 10 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2073014901.pdb -s /var/tmp/to_scwrl_2073014901.seq -o /var/tmp/from_scwrl_2073014901.pdb > /var/tmp/scwrl_2073014901.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2073014901.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 # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2040856750.pdb -s /var/tmp/to_scwrl_2040856750.seq -o /var/tmp/from_scwrl_2040856750.pdb > /var/tmp/scwrl_2040856750.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2040856750.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 80 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_651417032.pdb -s /var/tmp/to_scwrl_651417032.seq -o /var/tmp/from_scwrl_651417032.pdb > /var/tmp/scwrl_651417032.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_651417032.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 108 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_562752233.pdb -s /var/tmp/to_scwrl_562752233.seq -o /var/tmp/from_scwrl_562752233.pdb > /var/tmp/scwrl_562752233.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_562752233.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 158 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2029850547.pdb -s /var/tmp/to_scwrl_2029850547.seq -o /var/tmp/from_scwrl_2029850547.pdb > /var/tmp/scwrl_2029850547.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2029850547.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 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_787866330.pdb -s /var/tmp/to_scwrl_787866330.seq -o /var/tmp/from_scwrl_787866330.pdb > /var/tmp/scwrl_787866330.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_787866330.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_889273826.pdb -s /var/tmp/to_scwrl_889273826.seq -o /var/tmp/from_scwrl_889273826.pdb > /var/tmp/scwrl_889273826.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_889273826.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 T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2037046533.pdb -s /var/tmp/to_scwrl_2037046533.seq -o /var/tmp/from_scwrl_2037046533.pdb > /var/tmp/scwrl_2037046533.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2037046533.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_845582287.pdb -s /var/tmp/to_scwrl_845582287.seq -o /var/tmp/from_scwrl_845582287.pdb > /var/tmp/scwrl_845582287.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_845582287.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CPHmodels_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation CPHmodels_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1857122840.pdb -s /var/tmp/to_scwrl_1857122840.seq -o /var/tmp/from_scwrl_1857122840.pdb > /var/tmp/scwrl_1857122840.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1857122840.pdb # conformation set from SCWRL output # naming current conformation CPHmodels_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2001416216.pdb -s /var/tmp/to_scwrl_2001416216.seq -o /var/tmp/from_scwrl_2001416216.pdb > /var/tmp/scwrl_2001416216.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2001416216.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 T0374 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1905655207.pdb -s /var/tmp/to_scwrl_1905655207.seq -o /var/tmp/from_scwrl_1905655207.pdb > /var/tmp/scwrl_1905655207.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1905655207.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 T0374 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_772497183.pdb -s /var/tmp/to_scwrl_772497183.seq -o /var/tmp/from_scwrl_772497183.pdb > /var/tmp/scwrl_772497183.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_772497183.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: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_608993415.pdb -s /var/tmp/to_scwrl_608993415.seq -o /var/tmp/from_scwrl_608993415.pdb > /var/tmp/scwrl_608993415.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_608993415.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 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2002627246.pdb -s /var/tmp/to_scwrl_2002627246.seq -o /var/tmp/from_scwrl_2002627246.pdb > /var/tmp/scwrl_2002627246.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2002627246.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 T0374 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1434196794.pdb -s /var/tmp/to_scwrl_1434196794.seq -o /var/tmp/from_scwrl_1434196794.pdb > /var/tmp/scwrl_1434196794.log Error: Couldn't open file /var/tmp/from_scwrl_1434196794.pdb or /var/tmp/from_scwrl_1434196794.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1434196794_b.pdb or decoys//var/tmp/from_scwrl_1434196794_b.pdb.gz for input Trying /var/tmp/from_scwrl_1434196794_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1434196794_b.pdb or /var/tmp/from_scwrl_1434196794_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1434196794_a.pdb or decoys//var/tmp/from_scwrl_1434196794_a.pdb.gz for input Trying /var/tmp/from_scwrl_1434196794_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1434196794_a.pdb or /var/tmp/from_scwrl_1434196794_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1434196794.pdb or /var/tmp/from_scwrl_1434196794_b.pdb or /var/tmp/from_scwrl_1434196794_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 T0374 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1957437905.pdb -s /var/tmp/to_scwrl_1957437905.seq -o /var/tmp/from_scwrl_1957437905.pdb > /var/tmp/scwrl_1957437905.log Error: Couldn't open file /var/tmp/from_scwrl_1957437905.pdb or /var/tmp/from_scwrl_1957437905.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1957437905_b.pdb or decoys//var/tmp/from_scwrl_1957437905_b.pdb.gz for input Trying /var/tmp/from_scwrl_1957437905_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1957437905_b.pdb or /var/tmp/from_scwrl_1957437905_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1957437905_a.pdb or decoys//var/tmp/from_scwrl_1957437905_a.pdb.gz for input Trying /var/tmp/from_scwrl_1957437905_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1957437905_a.pdb or /var/tmp/from_scwrl_1957437905_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1957437905.pdb or /var/tmp/from_scwrl_1957437905_b.pdb or /var/tmp/from_scwrl_1957437905_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 T0374 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1986098619.pdb -s /var/tmp/to_scwrl_1986098619.seq -o /var/tmp/from_scwrl_1986098619.pdb > /var/tmp/scwrl_1986098619.log Error: Couldn't open file /var/tmp/from_scwrl_1986098619.pdb or /var/tmp/from_scwrl_1986098619.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1986098619_b.pdb or decoys//var/tmp/from_scwrl_1986098619_b.pdb.gz for input Trying /var/tmp/from_scwrl_1986098619_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1986098619_b.pdb or /var/tmp/from_scwrl_1986098619_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1986098619_a.pdb or decoys//var/tmp/from_scwrl_1986098619_a.pdb.gz for input Trying /var/tmp/from_scwrl_1986098619_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1986098619_a.pdb or /var/tmp/from_scwrl_1986098619_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1986098619.pdb or /var/tmp/from_scwrl_1986098619_b.pdb or /var/tmp/from_scwrl_1986098619_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 T0374 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_280828060.pdb -s /var/tmp/to_scwrl_280828060.seq -o /var/tmp/from_scwrl_280828060.pdb > /var/tmp/scwrl_280828060.log Error: Couldn't open file /var/tmp/from_scwrl_280828060.pdb or /var/tmp/from_scwrl_280828060.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_280828060_b.pdb or decoys//var/tmp/from_scwrl_280828060_b.pdb.gz for input Trying /var/tmp/from_scwrl_280828060_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_280828060_b.pdb or /var/tmp/from_scwrl_280828060_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_280828060_a.pdb or decoys//var/tmp/from_scwrl_280828060_a.pdb.gz for input Trying /var/tmp/from_scwrl_280828060_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_280828060_a.pdb or /var/tmp/from_scwrl_280828060_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_280828060.pdb or /var/tmp/from_scwrl_280828060_b.pdb or /var/tmp/from_scwrl_280828060_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 T0374 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1833952241.pdb -s /var/tmp/to_scwrl_1833952241.seq -o /var/tmp/from_scwrl_1833952241.pdb > /var/tmp/scwrl_1833952241.log Error: Couldn't open file /var/tmp/from_scwrl_1833952241.pdb or /var/tmp/from_scwrl_1833952241.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1833952241_b.pdb or decoys//var/tmp/from_scwrl_1833952241_b.pdb.gz for input Trying /var/tmp/from_scwrl_1833952241_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1833952241_b.pdb or /var/tmp/from_scwrl_1833952241_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1833952241_a.pdb or decoys//var/tmp/from_scwrl_1833952241_a.pdb.gz for input Trying /var/tmp/from_scwrl_1833952241_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1833952241_a.pdb or /var/tmp/from_scwrl_1833952241_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1833952241.pdb or /var/tmp/from_scwrl_1833952241_b.pdb or /var/tmp/from_scwrl_1833952241_a.pdb Error: no new SCWRL conformation added # naming current conformation Distill_TS5-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS1.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_591345737.pdb -s /var/tmp/to_scwrl_591345737.seq -o /var/tmp/from_scwrl_591345737.pdb > /var/tmp/scwrl_591345737.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_591345737.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 T0374 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1145354823.pdb -s /var/tmp/to_scwrl_1145354823.seq -o /var/tmp/from_scwrl_1145354823.pdb > /var/tmp/scwrl_1145354823.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1145354823.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2097356083.pdb -s /var/tmp/to_scwrl_2097356083.seq -o /var/tmp/from_scwrl_2097356083.pdb > /var/tmp/scwrl_2097356083.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2097356083.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 T0374 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1268100501.pdb -s /var/tmp/to_scwrl_1268100501.seq -o /var/tmp/from_scwrl_1268100501.pdb > /var/tmp/scwrl_1268100501.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1268100501.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 T0374 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2091794229.pdb -s /var/tmp/to_scwrl_2091794229.seq -o /var/tmp/from_scwrl_2091794229.pdb > /var/tmp/scwrl_2091794229.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2091794229.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 159 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_95615146.pdb -s /var/tmp/to_scwrl_95615146.seq -o /var/tmp/from_scwrl_95615146.pdb > /var/tmp/scwrl_95615146.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_95615146.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 158 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_530160401.pdb -s /var/tmp/to_scwrl_530160401.seq -o /var/tmp/from_scwrl_530160401.pdb > /var/tmp/scwrl_530160401.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_530160401.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2045761738.pdb -s /var/tmp/to_scwrl_2045761738.seq -o /var/tmp/from_scwrl_2045761738.pdb > /var/tmp/scwrl_2045761738.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2045761738.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 156 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_14496814.pdb -s /var/tmp/to_scwrl_14496814.seq -o /var/tmp/from_scwrl_14496814.pdb > /var/tmp/scwrl_14496814.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_14496814.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 159 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_549071452.pdb -s /var/tmp/to_scwrl_549071452.seq -o /var/tmp/from_scwrl_549071452.pdb > /var/tmp/scwrl_549071452.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_549071452.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 144 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1624305018.pdb -s /var/tmp/to_scwrl_1624305018.seq -o /var/tmp/from_scwrl_1624305018.pdb > /var/tmp/scwrl_1624305018.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1624305018.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 154 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2087511715.pdb -s /var/tmp/to_scwrl_2087511715.seq -o /var/tmp/from_scwrl_2087511715.pdb > /var/tmp/scwrl_2087511715.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2087511715.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 80 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_442444556.pdb -s /var/tmp/to_scwrl_442444556.seq -o /var/tmp/from_scwrl_442444556.pdb > /var/tmp/scwrl_442444556.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_442444556.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 123 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_128238403.pdb -s /var/tmp/to_scwrl_128238403.seq -o /var/tmp/from_scwrl_128238403.pdb > /var/tmp/scwrl_128238403.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_128238403.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 64 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_502780301.pdb -s /var/tmp/to_scwrl_502780301.seq -o /var/tmp/from_scwrl_502780301.pdb > /var/tmp/scwrl_502780301.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_502780301.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 T0374 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_324811456.pdb -s /var/tmp/to_scwrl_324811456.seq -o /var/tmp/from_scwrl_324811456.pdb > /var/tmp/scwrl_324811456.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_324811456.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 T0374 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_916104733.pdb -s /var/tmp/to_scwrl_916104733.seq -o /var/tmp/from_scwrl_916104733.pdb > /var/tmp/scwrl_916104733.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_916104733.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 T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1392054127.pdb -s /var/tmp/to_scwrl_1392054127.seq -o /var/tmp/from_scwrl_1392054127.pdb > /var/tmp/scwrl_1392054127.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1392054127.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL3-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_214374342.pdb -s /var/tmp/to_scwrl_214374342.seq -o /var/tmp/from_scwrl_214374342.pdb > /var/tmp/scwrl_214374342.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_214374342.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 T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1761687019.pdb -s /var/tmp/to_scwrl_1761687019.seq -o /var/tmp/from_scwrl_1761687019.pdb > /var/tmp/scwrl_1761687019.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1761687019.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 T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1101693320.pdb -s /var/tmp/to_scwrl_1101693320.seq -o /var/tmp/from_scwrl_1101693320.pdb > /var/tmp/scwrl_1101693320.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1101693320.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 T0374 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_68306911.pdb -s /var/tmp/to_scwrl_68306911.seq -o /var/tmp/from_scwrl_68306911.pdb > /var/tmp/scwrl_68306911.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_68306911.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 T0374 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1519858579.pdb -s /var/tmp/to_scwrl_1519858579.seq -o /var/tmp/from_scwrl_1519858579.pdb > /var/tmp/scwrl_1519858579.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1519858579.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL3-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1874190503.pdb -s /var/tmp/to_scwrl_1874190503.seq -o /var/tmp/from_scwrl_1874190503.pdb > /var/tmp/scwrl_1874190503.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1874190503.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 T0374 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_677300326.pdb -s /var/tmp/to_scwrl_677300326.seq -o /var/tmp/from_scwrl_677300326.pdb > /var/tmp/scwrl_677300326.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_677300326.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 115 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1375002178.pdb -s /var/tmp/to_scwrl_1375002178.seq -o /var/tmp/from_scwrl_1375002178.pdb > /var/tmp/scwrl_1375002178.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1375002178.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 138 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1160903651.pdb -s /var/tmp/to_scwrl_1160903651.seq -o /var/tmp/from_scwrl_1160903651.pdb > /var/tmp/scwrl_1160903651.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1160903651.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS2-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS3.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_487254584.pdb -s /var/tmp/to_scwrl_487254584.seq -o /var/tmp/from_scwrl_487254584.pdb > /var/tmp/scwrl_487254584.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_487254584.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 138 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1213617150.pdb -s /var/tmp/to_scwrl_1213617150.seq -o /var/tmp/from_scwrl_1213617150.pdb > /var/tmp/scwrl_1213617150.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1213617150.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 78 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1441731711.pdb -s /var/tmp/to_scwrl_1441731711.seq -o /var/tmp/from_scwrl_1441731711.pdb > /var/tmp/scwrl_1441731711.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1441731711.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 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_173723178.pdb -s /var/tmp/to_scwrl_173723178.seq -o /var/tmp/from_scwrl_173723178.pdb > /var/tmp/scwrl_173723178.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_173723178.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 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1804962888.pdb -s /var/tmp/to_scwrl_1804962888.seq -o /var/tmp/from_scwrl_1804962888.pdb > /var/tmp/scwrl_1804962888.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1804962888.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_439602888.pdb -s /var/tmp/to_scwrl_439602888.seq -o /var/tmp/from_scwrl_439602888.pdb > /var/tmp/scwrl_439602888.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_439602888.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_123595614.pdb -s /var/tmp/to_scwrl_123595614.seq -o /var/tmp/from_scwrl_123595614.pdb > /var/tmp/scwrl_123595614.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_123595614.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 T0374 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_925579743.pdb -s /var/tmp/to_scwrl_925579743.seq -o /var/tmp/from_scwrl_925579743.pdb > /var/tmp/scwrl_925579743.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_925579743.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 T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_383913471.pdb -s /var/tmp/to_scwrl_383913471.seq -o /var/tmp/from_scwrl_383913471.pdb > /var/tmp/scwrl_383913471.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_383913471.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 T0374 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_219210760.pdb -s /var/tmp/to_scwrl_219210760.seq -o /var/tmp/from_scwrl_219210760.pdb > /var/tmp/scwrl_219210760.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_219210760.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 T0374 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1455740144.pdb -s /var/tmp/to_scwrl_1455740144.seq -o /var/tmp/from_scwrl_1455740144.pdb > /var/tmp/scwrl_1455740144.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1455740144.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 T0374 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_282191562.pdb -s /var/tmp/to_scwrl_282191562.seq -o /var/tmp/from_scwrl_282191562.pdb > /var/tmp/scwrl_282191562.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_282191562.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 Skipped atom 390, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 392, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 394, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 396, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_233707575.pdb -s /var/tmp/to_scwrl_233707575.seq -o /var/tmp/from_scwrl_233707575.pdb > /var/tmp/scwrl_233707575.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_233707575.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 156 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2004811596.pdb -s /var/tmp/to_scwrl_2004811596.seq -o /var/tmp/from_scwrl_2004811596.pdb > /var/tmp/scwrl_2004811596.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2004811596.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 159 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1906496580.pdb -s /var/tmp/to_scwrl_1906496580.seq -o /var/tmp/from_scwrl_1906496580.pdb > /var/tmp/scwrl_1906496580.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1906496580.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 159 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_173735643.pdb -s /var/tmp/to_scwrl_173735643.seq -o /var/tmp/from_scwrl_173735643.pdb > /var/tmp/scwrl_173735643.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_173735643.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 159 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_299772505.pdb -s /var/tmp/to_scwrl_299772505.seq -o /var/tmp/from_scwrl_299772505.pdb > /var/tmp/scwrl_299772505.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_299772505.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 159 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2034734983.pdb -s /var/tmp/to_scwrl_2034734983.seq -o /var/tmp/from_scwrl_2034734983.pdb > /var/tmp/scwrl_2034734983.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2034734983.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 138 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_676515945.pdb -s /var/tmp/to_scwrl_676515945.seq -o /var/tmp/from_scwrl_676515945.pdb > /var/tmp/scwrl_676515945.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_676515945.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 61 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_624583961.pdb -s /var/tmp/to_scwrl_624583961.seq -o /var/tmp/from_scwrl_624583961.pdb > /var/tmp/scwrl_624583961.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_624583961.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 97 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_803356070.pdb -s /var/tmp/to_scwrl_803356070.seq -o /var/tmp/from_scwrl_803356070.pdb > /var/tmp/scwrl_803356070.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_803356070.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 33 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2068570072.pdb -s /var/tmp/to_scwrl_2068570072.seq -o /var/tmp/from_scwrl_2068570072.pdb > /var/tmp/scwrl_2068570072.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2068570072.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 153 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_838958303.pdb -s /var/tmp/to_scwrl_838958303.seq -o /var/tmp/from_scwrl_838958303.pdb > /var/tmp/scwrl_838958303.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_838958303.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 T0374 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_417559442.pdb -s /var/tmp/to_scwrl_417559442.seq -o /var/tmp/from_scwrl_417559442.pdb > /var/tmp/scwrl_417559442.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_417559442.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 T0374 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1022779746.pdb -s /var/tmp/to_scwrl_1022779746.seq -o /var/tmp/from_scwrl_1022779746.pdb > /var/tmp/scwrl_1022779746.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1022779746.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 # Found a chain break before 86 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_907265214.pdb -s /var/tmp/to_scwrl_907265214.seq -o /var/tmp/from_scwrl_907265214.pdb > /var/tmp/scwrl_907265214.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_907265214.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 T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1937418022.pdb -s /var/tmp/to_scwrl_1937418022.seq -o /var/tmp/from_scwrl_1937418022.pdb > /var/tmp/scwrl_1937418022.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1937418022.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_749486602.pdb -s /var/tmp/to_scwrl_749486602.seq -o /var/tmp/from_scwrl_749486602.pdb > /var/tmp/scwrl_749486602.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_749486602.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 42 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1584565540.pdb -s /var/tmp/to_scwrl_1584565540.seq -o /var/tmp/from_scwrl_1584565540.pdb > /var/tmp/scwrl_1584565540.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1584565540.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 26 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1164936553.pdb -s /var/tmp/to_scwrl_1164936553.seq -o /var/tmp/from_scwrl_1164936553.pdb > /var/tmp/scwrl_1164936553.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1164936553.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 144 ; scwrl3 -i /var/tmp/to_scwrl_1910390253.pdb -s /var/tmp/to_scwrl_1910390253.seq -o /var/tmp/from_scwrl_1910390253.pdb > /var/tmp/scwrl_1910390253.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1910390253.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 T0374 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2071820124.pdb -s /var/tmp/to_scwrl_2071820124.seq -o /var/tmp/from_scwrl_2071820124.pdb > /var/tmp/scwrl_2071820124.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2071820124.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 T0374 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_231070058.pdb -s /var/tmp/to_scwrl_231070058.seq -o /var/tmp/from_scwrl_231070058.pdb > /var/tmp/scwrl_231070058.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_231070058.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 T0374 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1204638317.pdb -s /var/tmp/to_scwrl_1204638317.seq -o /var/tmp/from_scwrl_1204638317.pdb > /var/tmp/scwrl_1204638317.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1204638317.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 T0374 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_98059656.pdb -s /var/tmp/to_scwrl_98059656.seq -o /var/tmp/from_scwrl_98059656.pdb > /var/tmp/scwrl_98059656.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_98059656.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 T0374 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2036032946.pdb -s /var/tmp/to_scwrl_2036032946.seq -o /var/tmp/from_scwrl_2036032946.pdb > /var/tmp/scwrl_2036032946.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2036032946.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 T0374 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1644241206.pdb -s /var/tmp/to_scwrl_1644241206.seq -o /var/tmp/from_scwrl_1644241206.pdb > /var/tmp/scwrl_1644241206.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1644241206.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 T0374 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_221655270.pdb -s /var/tmp/to_scwrl_221655270.seq -o /var/tmp/from_scwrl_221655270.pdb > /var/tmp/scwrl_221655270.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_221655270.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 T0374 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_814129042.pdb -s /var/tmp/to_scwrl_814129042.seq -o /var/tmp/from_scwrl_814129042.pdb > /var/tmp/scwrl_814129042.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_814129042.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS3-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2028154677.pdb -s /var/tmp/to_scwrl_2028154677.seq -o /var/tmp/from_scwrl_2028154677.pdb > /var/tmp/scwrl_2028154677.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2028154677.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 T0374 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_440866031.pdb -s /var/tmp/to_scwrl_440866031.seq -o /var/tmp/from_scwrl_440866031.pdb > /var/tmp/scwrl_440866031.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_440866031.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 T0374 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_122385539.pdb -s /var/tmp/to_scwrl_122385539.seq -o /var/tmp/from_scwrl_122385539.pdb > /var/tmp/scwrl_122385539.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_122385539.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 114 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_162862592.pdb -s /var/tmp/to_scwrl_162862592.seq -o /var/tmp/from_scwrl_162862592.pdb > /var/tmp/scwrl_162862592.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_162862592.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 155 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_674573606.pdb -s /var/tmp/to_scwrl_674573606.seq -o /var/tmp/from_scwrl_674573606.pdb > /var/tmp/scwrl_674573606.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_674573606.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS3.pdb.gz looking for model 1 # Found a chain break before 35 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2127197136.pdb -s /var/tmp/to_scwrl_2127197136.seq -o /var/tmp/from_scwrl_2127197136.pdb > /var/tmp/scwrl_2127197136.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2127197136.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 158 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2069359172.pdb -s /var/tmp/to_scwrl_2069359172.seq -o /var/tmp/from_scwrl_2069359172.pdb > /var/tmp/scwrl_2069359172.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2069359172.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 111 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_848309249.pdb -s /var/tmp/to_scwrl_848309249.seq -o /var/tmp/from_scwrl_848309249.pdb > /var/tmp/scwrl_848309249.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_848309249.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 155 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_279485994.pdb -s /var/tmp/to_scwrl_279485994.seq -o /var/tmp/from_scwrl_279485994.pdb > /var/tmp/scwrl_279485994.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_279485994.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS2.pdb.gz looking for model 1 # Found a chain break before 112 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1956610508.pdb -s /var/tmp/to_scwrl_1956610508.seq -o /var/tmp/from_scwrl_1956610508.pdb > /var/tmp/scwrl_1956610508.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1956610508.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS3.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1524825193.pdb -s /var/tmp/to_scwrl_1524825193.seq -o /var/tmp/from_scwrl_1524825193.pdb > /var/tmp/scwrl_1524825193.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1524825193.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 # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_904069956.pdb -s /var/tmp/to_scwrl_904069956.seq -o /var/tmp/from_scwrl_904069956.pdb > /var/tmp/scwrl_904069956.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_904069956.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS5.pdb.gz looking for model 1 # Found a chain break before 70 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_612482931.pdb -s /var/tmp/to_scwrl_612482931.seq -o /var/tmp/from_scwrl_612482931.pdb > /var/tmp/scwrl_612482931.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_612482931.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 159 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1445911618.pdb -s /var/tmp/to_scwrl_1445911618.seq -o /var/tmp/from_scwrl_1445911618.pdb > /var/tmp/scwrl_1445911618.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1445911618.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 159 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1743028258.pdb -s /var/tmp/to_scwrl_1743028258.seq -o /var/tmp/from_scwrl_1743028258.pdb > /var/tmp/scwrl_1743028258.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1743028258.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS2-scwrl # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1030042374.pdb -s /var/tmp/to_scwrl_1030042374.seq -o /var/tmp/from_scwrl_1030042374.pdb > /var/tmp/scwrl_1030042374.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1030042374.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 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation POMYSL_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_321207717.pdb -s /var/tmp/to_scwrl_321207717.seq -o /var/tmp/from_scwrl_321207717.pdb > /var/tmp/scwrl_321207717.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_321207717.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 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_502809826.pdb -s /var/tmp/to_scwrl_502809826.seq -o /var/tmp/from_scwrl_502809826.pdb > /var/tmp/scwrl_502809826.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_502809826.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 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_819976749.pdb -s /var/tmp/to_scwrl_819976749.seq -o /var/tmp/from_scwrl_819976749.pdb > /var/tmp/scwrl_819976749.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_819976749.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS3-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1070694320.pdb -s /var/tmp/to_scwrl_1070694320.seq -o /var/tmp/from_scwrl_1070694320.pdb > /var/tmp/scwrl_1070694320.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1070694320.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 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2087375366.pdb -s /var/tmp/to_scwrl_2087375366.seq -o /var/tmp/from_scwrl_2087375366.pdb > /var/tmp/scwrl_2087375366.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2087375366.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 144 ; scwrl3 -i /var/tmp/to_scwrl_1984913302.pdb -s /var/tmp/to_scwrl_1984913302.seq -o /var/tmp/from_scwrl_1984913302.pdb > /var/tmp/scwrl_1984913302.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1984913302.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 144 ; scwrl3 -i /var/tmp/to_scwrl_833600926.pdb -s /var/tmp/to_scwrl_833600926.seq -o /var/tmp/from_scwrl_833600926.pdb > /var/tmp/scwrl_833600926.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_833600926.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 144 ; scwrl3 -i /var/tmp/to_scwrl_2011711843.pdb -s /var/tmp/to_scwrl_2011711843.seq -o /var/tmp/from_scwrl_2011711843.pdb > /var/tmp/scwrl_2011711843.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2011711843.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 144 ; scwrl3 -i /var/tmp/to_scwrl_68499713.pdb -s /var/tmp/to_scwrl_68499713.seq -o /var/tmp/from_scwrl_68499713.pdb > /var/tmp/scwrl_68499713.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_68499713.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 144 ; scwrl3 -i /var/tmp/to_scwrl_2038239244.pdb -s /var/tmp/to_scwrl_2038239244.seq -o /var/tmp/from_scwrl_2038239244.pdb > /var/tmp/scwrl_2038239244.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2038239244.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # Found a chain break before 28 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2109771499.pdb -s /var/tmp/to_scwrl_2109771499.seq -o /var/tmp/from_scwrl_2109771499.pdb > /var/tmp/scwrl_2109771499.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2109771499.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2104532659.pdb -s /var/tmp/to_scwrl_2104532659.seq -o /var/tmp/from_scwrl_2104532659.pdb > /var/tmp/scwrl_2104532659.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2104532659.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1534996803.pdb -s /var/tmp/to_scwrl_1534996803.seq -o /var/tmp/from_scwrl_1534996803.pdb > /var/tmp/scwrl_1534996803.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1534996803.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 143 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_183943123.pdb -s /var/tmp/to_scwrl_183943123.seq -o /var/tmp/from_scwrl_183943123.pdb > /var/tmp/scwrl_183943123.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_183943123.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 151 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_771178055.pdb -s /var/tmp/to_scwrl_771178055.seq -o /var/tmp/from_scwrl_771178055.pdb > /var/tmp/scwrl_771178055.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_771178055.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1415667833.pdb -s /var/tmp/to_scwrl_1415667833.seq -o /var/tmp/from_scwrl_1415667833.pdb > /var/tmp/scwrl_1415667833.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1415667833.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_624809154.pdb -s /var/tmp/to_scwrl_624809154.seq -o /var/tmp/from_scwrl_624809154.pdb > /var/tmp/scwrl_624809154.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_624809154.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 T0374 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_893563594.pdb -s /var/tmp/to_scwrl_893563594.seq -o /var/tmp/from_scwrl_893563594.pdb > /var/tmp/scwrl_893563594.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_893563594.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 T0374 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1578530425.pdb -s /var/tmp/to_scwrl_1578530425.seq -o /var/tmp/from_scwrl_1578530425.pdb > /var/tmp/scwrl_1578530425.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1578530425.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1299382759.pdb -s /var/tmp/to_scwrl_1299382759.seq -o /var/tmp/from_scwrl_1299382759.pdb > /var/tmp/scwrl_1299382759.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1299382759.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 T0374 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_873277083.pdb -s /var/tmp/to_scwrl_873277083.seq -o /var/tmp/from_scwrl_873277083.pdb > /var/tmp/scwrl_873277083.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_873277083.pdb # conformation set from SCWRL output # naming current conformation Phyre-1_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1500405950.pdb -s /var/tmp/to_scwrl_1500405950.seq -o /var/tmp/from_scwrl_1500405950.pdb > /var/tmp/scwrl_1500405950.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1500405950.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_208361.pdb -s /var/tmp/to_scwrl_208361.seq -o /var/tmp/from_scwrl_208361.pdb > /var/tmp/scwrl_208361.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_208361.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1152763077.pdb -s /var/tmp/to_scwrl_1152763077.seq -o /var/tmp/from_scwrl_1152763077.pdb > /var/tmp/scwrl_1152763077.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1152763077.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1309532811.pdb -s /var/tmp/to_scwrl_1309532811.seq -o /var/tmp/from_scwrl_1309532811.pdb > /var/tmp/scwrl_1309532811.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1309532811.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1525033555.pdb -s /var/tmp/to_scwrl_1525033555.seq -o /var/tmp/from_scwrl_1525033555.pdb > /var/tmp/scwrl_1525033555.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1525033555.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2056833033.pdb -s /var/tmp/to_scwrl_2056833033.seq -o /var/tmp/from_scwrl_2056833033.pdb > /var/tmp/scwrl_2056833033.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2056833033.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1922015743.pdb -s /var/tmp/to_scwrl_1922015743.seq -o /var/tmp/from_scwrl_1922015743.pdb > /var/tmp/scwrl_1922015743.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1922015743.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 156 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_823461527.pdb -s /var/tmp/to_scwrl_823461527.seq -o /var/tmp/from_scwrl_823461527.pdb > /var/tmp/scwrl_823461527.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_823461527.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1652377644.pdb -s /var/tmp/to_scwrl_1652377644.seq -o /var/tmp/from_scwrl_1652377644.pdb > /var/tmp/scwrl_1652377644.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1652377644.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 T0374 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_804574470.pdb -s /var/tmp/to_scwrl_804574470.seq -o /var/tmp/from_scwrl_804574470.pdb > /var/tmp/scwrl_804574470.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_804574470.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS1.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1144669244.pdb -s /var/tmp/to_scwrl_1144669244.seq -o /var/tmp/from_scwrl_1144669244.pdb > /var/tmp/scwrl_1144669244.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1144669244.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 # Found a chain break before 109 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_7703823.pdb -s /var/tmp/to_scwrl_7703823.seq -o /var/tmp/from_scwrl_7703823.pdb > /var/tmp/scwrl_7703823.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_7703823.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 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1624551218.pdb -s /var/tmp/to_scwrl_1624551218.seq -o /var/tmp/from_scwrl_1624551218.pdb > /var/tmp/scwrl_1624551218.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1624551218.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 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_67879917.pdb -s /var/tmp/to_scwrl_67879917.seq -o /var/tmp/from_scwrl_67879917.pdb > /var/tmp/scwrl_67879917.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_67879917.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 114 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2095079189.pdb -s /var/tmp/to_scwrl_2095079189.seq -o /var/tmp/from_scwrl_2095079189.pdb > /var/tmp/scwrl_2095079189.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2095079189.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 143 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1461980873.pdb -s /var/tmp/to_scwrl_1461980873.seq -o /var/tmp/from_scwrl_1461980873.pdb > /var/tmp/scwrl_1461980873.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1461980873.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 29 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_901480843.pdb -s /var/tmp/to_scwrl_901480843.seq -o /var/tmp/from_scwrl_901480843.pdb > /var/tmp/scwrl_901480843.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_901480843.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 159 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1959307386.pdb -s /var/tmp/to_scwrl_1959307386.seq -o /var/tmp/from_scwrl_1959307386.pdb > /var/tmp/scwrl_1959307386.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1959307386.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 # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1530480587.pdb -s /var/tmp/to_scwrl_1530480587.seq -o /var/tmp/from_scwrl_1530480587.pdb > /var/tmp/scwrl_1530480587.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1530480587.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 143 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_792236440.pdb -s /var/tmp/to_scwrl_792236440.seq -o /var/tmp/from_scwrl_792236440.pdb > /var/tmp/scwrl_792236440.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_792236440.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 144 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1921595238.pdb -s /var/tmp/to_scwrl_1921595238.seq -o /var/tmp/from_scwrl_1921595238.pdb > /var/tmp/scwrl_1921595238.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1921595238.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS2.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1487529599.pdb -s /var/tmp/to_scwrl_1487529599.seq -o /var/tmp/from_scwrl_1487529599.pdb > /var/tmp/scwrl_1487529599.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1487529599.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 138 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_179749596.pdb -s /var/tmp/to_scwrl_179749596.seq -o /var/tmp/from_scwrl_179749596.pdb > /var/tmp/scwrl_179749596.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_179749596.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 86 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2105538361.pdb -s /var/tmp/to_scwrl_2105538361.seq -o /var/tmp/from_scwrl_2105538361.pdb > /var/tmp/scwrl_2105538361.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2105538361.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 # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_111224007.pdb -s /var/tmp/to_scwrl_111224007.seq -o /var/tmp/from_scwrl_111224007.pdb > /var/tmp/scwrl_111224007.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_111224007.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS1.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1595417429.pdb -s /var/tmp/to_scwrl_1595417429.seq -o /var/tmp/from_scwrl_1595417429.pdb > /var/tmp/scwrl_1595417429.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1595417429.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS2.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_582863868.pdb -s /var/tmp/to_scwrl_582863868.seq -o /var/tmp/from_scwrl_582863868.pdb > /var/tmp/scwrl_582863868.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_582863868.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 137 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1004787602.pdb -s /var/tmp/to_scwrl_1004787602.seq -o /var/tmp/from_scwrl_1004787602.pdb > /var/tmp/scwrl_1004787602.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1004787602.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS4.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1026464208.pdb -s /var/tmp/to_scwrl_1026464208.seq -o /var/tmp/from_scwrl_1026464208.pdb > /var/tmp/scwrl_1026464208.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1026464208.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 111 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1882246627.pdb -s /var/tmp/to_scwrl_1882246627.seq -o /var/tmp/from_scwrl_1882246627.pdb > /var/tmp/scwrl_1882246627.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1882246627.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # Found a chain break before 30 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1878064684.pdb -s /var/tmp/to_scwrl_1878064684.seq -o /var/tmp/from_scwrl_1878064684.pdb > /var/tmp/scwrl_1878064684.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1878064684.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # Found a chain break before 86 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_379386511.pdb -s /var/tmp/to_scwrl_379386511.seq -o /var/tmp/from_scwrl_379386511.pdb > /var/tmp/scwrl_379386511.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_379386511.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # Found a chain break before 25 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1882454989.pdb -s /var/tmp/to_scwrl_1882454989.seq -o /var/tmp/from_scwrl_1882454989.pdb > /var/tmp/scwrl_1882454989.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1882454989.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # Found a chain break before 49 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_883344115.pdb -s /var/tmp/to_scwrl_883344115.seq -o /var/tmp/from_scwrl_883344115.pdb > /var/tmp/scwrl_883344115.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_883344115.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 # Found a chain break before 86 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1688919323.pdb -s /var/tmp/to_scwrl_1688919323.seq -o /var/tmp/from_scwrl_1688919323.pdb > /var/tmp/scwrl_1688919323.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1688919323.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 Skipped atom 202, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 204, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 206, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 208, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 370, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 372, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 374, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 376, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1260004897.pdb -s /var/tmp/to_scwrl_1260004897.seq -o /var/tmp/from_scwrl_1260004897.pdb > /var/tmp/scwrl_1260004897.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1260004897.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 T0374 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_792693501.pdb -s /var/tmp/to_scwrl_792693501.seq -o /var/tmp/from_scwrl_792693501.pdb > /var/tmp/scwrl_792693501.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_792693501.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 T0374 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1463451419.pdb -s /var/tmp/to_scwrl_1463451419.seq -o /var/tmp/from_scwrl_1463451419.pdb > /var/tmp/scwrl_1463451419.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1463451419.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL4.pdb.gz looking for model 1 Skipped atom 385, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 386, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 387, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 388, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 513, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 514, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 515, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 516, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2083466424.pdb -s /var/tmp/to_scwrl_2083466424.seq -o /var/tmp/from_scwrl_2083466424.pdb > /var/tmp/scwrl_2083466424.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2083466424.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_297587499.pdb -s /var/tmp/to_scwrl_297587499.seq -o /var/tmp/from_scwrl_297587499.pdb > /var/tmp/scwrl_297587499.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_297587499.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_120542242.pdb -s /var/tmp/to_scwrl_120542242.seq -o /var/tmp/from_scwrl_120542242.pdb > /var/tmp/scwrl_120542242.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_120542242.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1080652021.pdb -s /var/tmp/to_scwrl_1080652021.seq -o /var/tmp/from_scwrl_1080652021.pdb > /var/tmp/scwrl_1080652021.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1080652021.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_305291322.pdb -s /var/tmp/to_scwrl_305291322.seq -o /var/tmp/from_scwrl_305291322.pdb > /var/tmp/scwrl_305291322.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_305291322.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1745093460.pdb -s /var/tmp/to_scwrl_1745093460.seq -o /var/tmp/from_scwrl_1745093460.pdb > /var/tmp/scwrl_1745093460.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1745093460.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL5.pdb.gz looking for model 1 Skipped atom 34, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 36, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 126, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 128, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 130, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 132, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T99_AL5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1148531938.pdb -s /var/tmp/to_scwrl_1148531938.seq -o /var/tmp/from_scwrl_1148531938.pdb > /var/tmp/scwrl_1148531938.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1148531938.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_252886865.pdb -s /var/tmp/to_scwrl_252886865.seq -o /var/tmp/from_scwrl_252886865.pdb > /var/tmp/scwrl_252886865.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_252886865.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 T0374 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1059590687.pdb -s /var/tmp/to_scwrl_1059590687.seq -o /var/tmp/from_scwrl_1059590687.pdb > /var/tmp/scwrl_1059590687.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1059590687.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 T0374 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2050012782.pdb -s /var/tmp/to_scwrl_2050012782.seq -o /var/tmp/from_scwrl_2050012782.pdb > /var/tmp/scwrl_2050012782.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2050012782.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 T0374 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_64710604.pdb -s /var/tmp/to_scwrl_64710604.seq -o /var/tmp/from_scwrl_64710604.pdb > /var/tmp/scwrl_64710604.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_64710604.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 T0374 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_442587627.pdb -s /var/tmp/to_scwrl_442587627.seq -o /var/tmp/from_scwrl_442587627.pdb > /var/tmp/scwrl_442587627.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_442587627.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 109 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_694765575.pdb -s /var/tmp/to_scwrl_694765575.seq -o /var/tmp/from_scwrl_694765575.pdb > /var/tmp/scwrl_694765575.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_694765575.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 114 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1986305842.pdb -s /var/tmp/to_scwrl_1986305842.seq -o /var/tmp/from_scwrl_1986305842.pdb > /var/tmp/scwrl_1986305842.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1986305842.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 86 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1930117227.pdb -s /var/tmp/to_scwrl_1930117227.seq -o /var/tmp/from_scwrl_1930117227.pdb > /var/tmp/scwrl_1930117227.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1930117227.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 153 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_874515172.pdb -s /var/tmp/to_scwrl_874515172.seq -o /var/tmp/from_scwrl_874515172.pdb > /var/tmp/scwrl_874515172.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_874515172.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 153 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1944360557.pdb -s /var/tmp/to_scwrl_1944360557.seq -o /var/tmp/from_scwrl_1944360557.pdb > /var/tmp/scwrl_1944360557.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1944360557.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 147 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2041341234.pdb -s /var/tmp/to_scwrl_2041341234.seq -o /var/tmp/from_scwrl_2041341234.pdb > /var/tmp/scwrl_2041341234.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2041341234.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 153 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_322448954.pdb -s /var/tmp/to_scwrl_322448954.seq -o /var/tmp/from_scwrl_322448954.pdb > /var/tmp/scwrl_322448954.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_322448954.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 144 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_379740778.pdb -s /var/tmp/to_scwrl_379740778.seq -o /var/tmp/from_scwrl_379740778.pdb > /var/tmp/scwrl_379740778.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_379740778.pdb # conformation set from SCWRL output # naming current conformation SP4_TS3-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS4.pdb.gz looking for model 1 # Found a chain break before 33 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_898645189.pdb -s /var/tmp/to_scwrl_898645189.seq -o /var/tmp/from_scwrl_898645189.pdb > /var/tmp/scwrl_898645189.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_898645189.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 48 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1348913162.pdb -s /var/tmp/to_scwrl_1348913162.seq -o /var/tmp/from_scwrl_1348913162.pdb > /var/tmp/scwrl_1348913162.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1348913162.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 142 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_114503759.pdb -s /var/tmp/to_scwrl_114503759.seq -o /var/tmp/from_scwrl_114503759.pdb > /var/tmp/scwrl_114503759.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_114503759.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 114 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_629226227.pdb -s /var/tmp/to_scwrl_629226227.seq -o /var/tmp/from_scwrl_629226227.pdb > /var/tmp/scwrl_629226227.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_629226227.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 49 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1728299673.pdb -s /var/tmp/to_scwrl_1728299673.seq -o /var/tmp/from_scwrl_1728299673.pdb > /var/tmp/scwrl_1728299673.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1728299673.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 153 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1996958748.pdb -s /var/tmp/to_scwrl_1996958748.seq -o /var/tmp/from_scwrl_1996958748.pdb > /var/tmp/scwrl_1996958748.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1996958748.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 153 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1512570341.pdb -s /var/tmp/to_scwrl_1512570341.seq -o /var/tmp/from_scwrl_1512570341.pdb > /var/tmp/scwrl_1512570341.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1512570341.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 T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1269735349.pdb -s /var/tmp/to_scwrl_1269735349.seq -o /var/tmp/from_scwrl_1269735349.pdb > /var/tmp/scwrl_1269735349.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1269735349.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 T0374 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1109479998.pdb -s /var/tmp/to_scwrl_1109479998.seq -o /var/tmp/from_scwrl_1109479998.pdb > /var/tmp/scwrl_1109479998.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1109479998.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 T0374 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_157780196.pdb -s /var/tmp/to_scwrl_157780196.seq -o /var/tmp/from_scwrl_157780196.pdb > /var/tmp/scwrl_157780196.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_157780196.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 T0374 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_585703122.pdb -s /var/tmp/to_scwrl_585703122.seq -o /var/tmp/from_scwrl_585703122.pdb > /var/tmp/scwrl_585703122.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_585703122.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 T0374 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1045462776.pdb -s /var/tmp/to_scwrl_1045462776.seq -o /var/tmp/from_scwrl_1045462776.pdb > /var/tmp/scwrl_1045462776.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1045462776.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 T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_455367695.pdb -s /var/tmp/to_scwrl_455367695.seq -o /var/tmp/from_scwrl_455367695.pdb > /var/tmp/scwrl_455367695.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_455367695.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 T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_706245364.pdb -s /var/tmp/to_scwrl_706245364.seq -o /var/tmp/from_scwrl_706245364.pdb > /var/tmp/scwrl_706245364.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_706245364.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 T0374 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2126114798.pdb -s /var/tmp/to_scwrl_2126114798.seq -o /var/tmp/from_scwrl_2126114798.pdb > /var/tmp/scwrl_2126114798.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2126114798.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL2-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_760659017.pdb -s /var/tmp/to_scwrl_760659017.seq -o /var/tmp/from_scwrl_760659017.pdb > /var/tmp/scwrl_760659017.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_760659017.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 Skipped atom 198, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 200, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 202, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 204, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 366, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 368, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 370, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz Skipped atom 372, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL4.pdb.gz # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_303855177.pdb -s /var/tmp/to_scwrl_303855177.seq -o /var/tmp/from_scwrl_303855177.pdb > /var/tmp/scwrl_303855177.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_303855177.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 T0374 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1127163089.pdb -s /var/tmp/to_scwrl_1127163089.seq -o /var/tmp/from_scwrl_1127163089.pdb > /var/tmp/scwrl_1127163089.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1127163089.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 158 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1013545882.pdb -s /var/tmp/to_scwrl_1013545882.seq -o /var/tmp/from_scwrl_1013545882.pdb > /var/tmp/scwrl_1013545882.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1013545882.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 143 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1363445864.pdb -s /var/tmp/to_scwrl_1363445864.seq -o /var/tmp/from_scwrl_1363445864.pdb > /var/tmp/scwrl_1363445864.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1363445864.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 143 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1029692225.pdb -s /var/tmp/to_scwrl_1029692225.seq -o /var/tmp/from_scwrl_1029692225.pdb > /var/tmp/scwrl_1029692225.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1029692225.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 148 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1078256485.pdb -s /var/tmp/to_scwrl_1078256485.seq -o /var/tmp/from_scwrl_1078256485.pdb > /var/tmp/scwrl_1078256485.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1078256485.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 154 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1806033491.pdb -s /var/tmp/to_scwrl_1806033491.seq -o /var/tmp/from_scwrl_1806033491.pdb > /var/tmp/scwrl_1806033491.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1806033491.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 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1724457800.pdb -s /var/tmp/to_scwrl_1724457800.seq -o /var/tmp/from_scwrl_1724457800.pdb > /var/tmp/scwrl_1724457800.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1724457800.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 T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_917078682.pdb -s /var/tmp/to_scwrl_917078682.seq -o /var/tmp/from_scwrl_917078682.pdb > /var/tmp/scwrl_917078682.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_917078682.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 T0374 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1588667071.pdb -s /var/tmp/to_scwrl_1588667071.seq -o /var/tmp/from_scwrl_1588667071.pdb > /var/tmp/scwrl_1588667071.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1588667071.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 T0374 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_451489325.pdb -s /var/tmp/to_scwrl_451489325.seq -o /var/tmp/from_scwrl_451489325.pdb > /var/tmp/scwrl_451489325.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_451489325.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL2-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL3.pdb.gz looking for model 1 Skipped atom 54, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 56, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 58, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 60, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 262, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 264, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 266, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 268, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 374, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 376, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 378, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz Skipped atom 380, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL3.pdb.gz # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_713955592.pdb -s /var/tmp/to_scwrl_713955592.seq -o /var/tmp/from_scwrl_713955592.pdb > /var/tmp/scwrl_713955592.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_713955592.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 T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1482524659.pdb -s /var/tmp/to_scwrl_1482524659.seq -o /var/tmp/from_scwrl_1482524659.pdb > /var/tmp/scwrl_1482524659.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1482524659.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 T0374 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_773938279.pdb -s /var/tmp/to_scwrl_773938279.seq -o /var/tmp/from_scwrl_773938279.pdb > /var/tmp/scwrl_773938279.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_773938279.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 86 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1093696369.pdb -s /var/tmp/to_scwrl_1093696369.seq -o /var/tmp/from_scwrl_1093696369.pdb > /var/tmp/scwrl_1093696369.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1093696369.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 50 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_233686201.pdb -s /var/tmp/to_scwrl_233686201.seq -o /var/tmp/from_scwrl_233686201.pdb > /var/tmp/scwrl_233686201.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_233686201.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 86 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2122851441.pdb -s /var/tmp/to_scwrl_2122851441.seq -o /var/tmp/from_scwrl_2122851441.pdb > /var/tmp/scwrl_2122851441.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2122851441.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS4.pdb.gz looking for model 1 # Found a chain break before 50 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1208200128.pdb -s /var/tmp/to_scwrl_1208200128.seq -o /var/tmp/from_scwrl_1208200128.pdb > /var/tmp/scwrl_1208200128.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1208200128.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 50 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_862912428.pdb -s /var/tmp/to_scwrl_862912428.seq -o /var/tmp/from_scwrl_862912428.pdb > /var/tmp/scwrl_862912428.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_862912428.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 158 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1703667468.pdb -s /var/tmp/to_scwrl_1703667468.seq -o /var/tmp/from_scwrl_1703667468.pdb > /var/tmp/scwrl_1703667468.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1703667468.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 WARNING: atoms too close: (T0374)Q153.O and (T0374)M154.N only 0.000 apart, marking (T0374)M154.N as missing # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1057675230.pdb -s /var/tmp/to_scwrl_1057675230.seq -o /var/tmp/from_scwrl_1057675230.pdb > /var/tmp/scwrl_1057675230.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1057675230.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_227999123.pdb -s /var/tmp/to_scwrl_227999123.seq -o /var/tmp/from_scwrl_227999123.pdb > /var/tmp/scwrl_227999123.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_227999123.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: (T0374)Q134.O and (T0374)P135.N only 0.000 apart, marking (T0374)P135.N as missing # WARNING: incomplete conformation T0374 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 144 ; scwrl3 -i /var/tmp/to_scwrl_825919171.pdb -s /var/tmp/to_scwrl_825919171.seq -o /var/tmp/from_scwrl_825919171.pdb > /var/tmp/scwrl_825919171.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_825919171.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS5.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_19671581.pdb -s /var/tmp/to_scwrl_19671581.seq -o /var/tmp/from_scwrl_19671581.pdb > /var/tmp/scwrl_19671581.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_19671581.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 T0374 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_385779319.pdb -s /var/tmp/to_scwrl_385779319.seq -o /var/tmp/from_scwrl_385779319.pdb > /var/tmp/scwrl_385779319.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_385779319.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 T0374 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1411622293.pdb -s /var/tmp/to_scwrl_1411622293.seq -o /var/tmp/from_scwrl_1411622293.pdb > /var/tmp/scwrl_1411622293.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1411622293.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 T0374 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1065134358.pdb -s /var/tmp/to_scwrl_1065134358.seq -o /var/tmp/from_scwrl_1065134358.pdb > /var/tmp/scwrl_1065134358.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1065134358.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 T0374 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_841147014.pdb -s /var/tmp/to_scwrl_841147014.seq -o /var/tmp/from_scwrl_841147014.pdb > /var/tmp/scwrl_841147014.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_841147014.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 T0374 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_2117867657.pdb -s /var/tmp/to_scwrl_2117867657.seq -o /var/tmp/from_scwrl_2117867657.pdb > /var/tmp/scwrl_2117867657.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2117867657.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 144 ; scwrl3 -i /var/tmp/to_scwrl_1043765509.pdb -s /var/tmp/to_scwrl_1043765509.seq -o /var/tmp/from_scwrl_1043765509.pdb > /var/tmp/scwrl_1043765509.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1043765509.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 144 ; scwrl3 -i /var/tmp/to_scwrl_1601806030.pdb -s /var/tmp/to_scwrl_1601806030.seq -o /var/tmp/from_scwrl_1601806030.pdb > /var/tmp/scwrl_1601806030.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1601806030.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 144 ; scwrl3 -i /var/tmp/to_scwrl_274239188.pdb -s /var/tmp/to_scwrl_274239188.seq -o /var/tmp/from_scwrl_274239188.pdb > /var/tmp/scwrl_274239188.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_274239188.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 144 ; scwrl3 -i /var/tmp/to_scwrl_23444951.pdb -s /var/tmp/to_scwrl_23444951.seq -o /var/tmp/from_scwrl_23444951.pdb > /var/tmp/scwrl_23444951.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_23444951.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 144 ; scwrl3 -i /var/tmp/to_scwrl_467868266.pdb -s /var/tmp/to_scwrl_467868266.seq -o /var/tmp/from_scwrl_467868266.pdb > /var/tmp/scwrl_467868266.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_467868266.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 T0374 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1637685052.pdb -s /var/tmp/to_scwrl_1637685052.seq -o /var/tmp/from_scwrl_1637685052.pdb > /var/tmp/scwrl_1637685052.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1637685052.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 T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1053137177.pdb -s /var/tmp/to_scwrl_1053137177.seq -o /var/tmp/from_scwrl_1053137177.pdb > /var/tmp/scwrl_1053137177.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1053137177.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 T0374 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1546124751.pdb -s /var/tmp/to_scwrl_1546124751.seq -o /var/tmp/from_scwrl_1546124751.pdb > /var/tmp/scwrl_1546124751.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1546124751.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 T0374 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1296234896.pdb -s /var/tmp/to_scwrl_1296234896.seq -o /var/tmp/from_scwrl_1296234896.pdb > /var/tmp/scwrl_1296234896.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1296234896.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 T0374 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_630111330.pdb -s /var/tmp/to_scwrl_630111330.seq -o /var/tmp/from_scwrl_630111330.pdb > /var/tmp/scwrl_630111330.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_630111330.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 T0374 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_315719786.pdb -s /var/tmp/to_scwrl_315719786.seq -o /var/tmp/from_scwrl_315719786.pdb > /var/tmp/scwrl_315719786.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_315719786.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: atoms too close: (T0374)L26.N and (T0374)F27.N only 0.000 apart, marking (T0374)F27.N as missing WARNING: atoms too close: (T0374)L26.CA and (T0374)F27.CA only 0.000 apart, marking (T0374)F27.CA as missing WARNING: atoms too close: (T0374)L26.CB and (T0374)F27.CB only 0.000 apart, marking (T0374)F27.CB as missing WARNING: atoms too close: (T0374)L26.O and (T0374)F27.O only 0.000 apart, marking (T0374)F27.O as missing WARNING: atoms too close: (T0374)L26.C and (T0374)F27.C only 0.000 apart, marking (T0374)F27.C as missing WARNING: atoms too close: (T0374)F27.N and (T0374)S52.N only 0.000 apart, marking (T0374)F27.N as missing WARNING: atoms too close: (T0374)L26.N and (T0374)S52.N only 0.000 apart, marking (T0374)S52.N as missing WARNING: atoms too close: (T0374)F27.CA and (T0374)S52.CA only 0.000 apart, marking (T0374)S52.CA as missing WARNING: atoms too close: (T0374)L26.CA and (T0374)S52.CA only 0.000 apart, marking (T0374)S52.CA as missing WARNING: atoms too close: (T0374)F27.CB and (T0374)S52.CB only 0.000 apart, marking (T0374)S52.CB as missing WARNING: atoms too close: (T0374)L26.CB and (T0374)S52.CB only 0.000 apart, marking (T0374)S52.CB as missing WARNING: atoms too close: (T0374)F27.O and (T0374)S52.O only 0.000 apart, marking (T0374)S52.O as missing WARNING: atoms too close: (T0374)L26.O and (T0374)S52.O only 0.000 apart, marking (T0374)S52.O as missing WARNING: atoms too close: (T0374)F27.C and (T0374)S52.C only 0.000 apart, marking (T0374)S52.C as missing WARNING: atoms too close: (T0374)L26.C and (T0374)S52.C only 0.000 apart, marking (T0374)S52.C as missing WARNING: atoms too close: (T0374)S52.N and (T0374)T53.N only 0.000 apart, marking (T0374)S52.N as missing WARNING: atoms too close: (T0374)F27.N and (T0374)T53.N only 0.000 apart, marking (T0374)F27.N as missing WARNING: atoms too close: (T0374)L26.N and (T0374)T53.N only 0.000 apart, marking (T0374)T53.N as missing WARNING: atoms too close: (T0374)S52.CA and (T0374)T53.CA only 0.000 apart, marking (T0374)T53.CA as missing WARNING: atoms too close: (T0374)F27.CA and (T0374)T53.CA only 0.000 apart, marking (T0374)T53.CA as missing WARNING: atoms too close: (T0374)L26.CA and (T0374)T53.CA only 0.000 apart, marking (T0374)T53.CA as missing WARNING: atoms too close: (T0374)S52.CB and (T0374)T53.CB only 0.000 apart, marking (T0374)T53.CB as missing WARNING: atoms too close: (T0374)F27.CB and (T0374)T53.CB only 0.000 apart, marking (T0374)T53.CB as missing WARNING: atoms too close: (T0374)L26.CB and (T0374)T53.CB only 0.000 apart, marking (T0374)T53.CB as missing WARNING: atoms too close: (T0374)S52.OG and (T0374)T53.OG1 only 0.000 apart, marking (T0374)T53.OG1 as missing WARNING: atoms too close: (T0374)S52.O and (T0374)T53.O only 0.000 apart, marking (T0374)T53.O as missing WARNING: atoms too close: (T0374)F27.O and (T0374)T53.O only 0.000 apart, marking (T0374)T53.O as missing WARNING: atoms too close: (T0374)L26.O and (T0374)T53.O only 0.000 apart, marking (T0374)T53.O as missing WARNING: atoms too close: (T0374)S52.C and (T0374)T53.C only 0.000 apart, marking (T0374)T53.C as missing WARNING: atoms too close: (T0374)F27.C and (T0374)T53.C only 0.000 apart, marking (T0374)T53.C as missing WARNING: atoms too close: (T0374)L26.C and (T0374)T53.C only 0.000 apart, marking (T0374)T53.C as missing WARNING: atoms too close: (T0374)T53.N and (T0374)V54.N only 0.000 apart, marking (T0374)T53.N as missing WARNING: atoms too close: (T0374)S52.N and (T0374)V54.N only 0.000 apart, marking (T0374)S52.N as missing WARNING: atoms too close: (T0374)F27.N and (T0374)V54.N only 0.000 apart, marking (T0374)F27.N as missing WARNING: atoms too close: (T0374)L26.N and (T0374)V54.N only 0.000 apart, marking (T0374)V54.N as missing WARNING: atoms too close: (T0374)T53.CA and (T0374)V54.CA only 0.000 apart, marking (T0374)V54.CA as missing WARNING: atoms too close: (T0374)S52.CA and (T0374)V54.CA only 0.000 apart, marking (T0374)V54.CA as missing WARNING: atoms too close: (T0374)F27.CA and (T0374)V54.CA only 0.000 apart, marking (T0374)V54.CA as missing WARNING: atoms too close: (T0374)L26.CA and (T0374)V54.CA only 0.000 apart, marking (T0374)V54.CA as missing WARNING: atoms too close: (T0374)T53.CB and (T0374)V54.CB only 0.000 apart, marking (T0374)V54.CB as missing WARNING: atoms too close: (T0374)S52.CB and (T0374)V54.CB only 0.000 apart, marking (T0374)V54.CB as missing WARNING: atoms too close: (T0374)F27.CB and (T0374)V54.CB only 0.000 apart, marking (T0374)V54.CB as missing WARNING: atoms too close: (T0374)L26.CB and (T0374)V54.CB only 0.000 apart, marking (T0374)V54.CB as missing WARNING: atoms too close: (T0374)T53.O and (T0374)V54.O only 0.000 apart, marking (T0374)V54.O as missing WARNING: atoms too close: (T0374)S52.O and (T0374)V54.O only 0.000 apart, marking (T0374)V54.O as missing WARNING: atoms too close: (T0374)F27.O and (T0374)V54.O only 0.000 apart, marking (T0374)V54.O as missing WARNING: atoms too close: (T0374)L26.O and (T0374)V54.O only 0.000 apart, marking (T0374)V54.O as missing WARNING: atoms too close: (T0374)T53.C and (T0374)V54.C only 0.000 apart, marking (T0374)V54.C as missing WARNING: atoms too close: (T0374)S52.C and (T0374)V54.C only 0.000 apart, marking (T0374)V54.C as missing WARNING: atoms too close: (T0374)F27.C and (T0374)V54.C only 0.000 apart, marking (T0374)V54.C as missing WARNING: atoms too close: (T0374)L26.C and (T0374)V54.C only 0.000 apart, marking (T0374)V54.C as missing WARNING: atoms too close: (T0374)V54.N and (T0374)A55.N only 0.000 apart, marking (T0374)V54.N as missing WARNING: atoms too close: (T0374)T53.N and (T0374)A55.N only 0.000 apart, marking (T0374)T53.N as missing WARNING: atoms too close: (T0374)S52.N and (T0374)A55.N only 0.000 apart, marking (T0374)S52.N as missing WARNING: atoms too close: (T0374)F27.N and (T0374)A55.N only 0.000 apart, marking (T0374)F27.N as missing WARNING: atoms too close: (T0374)L26.N and (T0374)A55.N only 0.000 apart, marking (T0374)A55.N as missing WARNING: atoms too close: (T0374)V54.CA and (T0374)A55.CA only 0.000 apart, marking (T0374)A55.CA as missing WARNING: atoms too close: (T0374)T53.CA and (T0374)A55.CA only 0.000 apart, marking (T0374)A55.CA as missing WARNING: atoms too close: (T0374)S52.CA and (T0374)A55.CA only 0.000 apart, marking (T0374)A55.CA as missing WARNING: atoms too close: (T0374)F27.CA and (T0374)A55.CA only 0.000 apart, marking (T0374)A55.CA as missing WARNING: atoms too close: (T0374)L26.CA and (T0374)A55.CA only 0.000 apart, marking (T0374)A55.CA as missing WARNING: atoms too close: (T0374)V54.CB and (T0374)A55.CB only 0.000 apart, marking (T0374)A55.CB as missing WARNING: atoms too close: (T0374)T53.CB and (T0374)A55.CB only 0.000 apart, marking (T0374)A55.CB as missing WARNING: atoms too close: (T0374)S52.CB and (T0374)A55.CB only 0.000 apart, marking (T0374)A55.CB as missing WARNING: atoms too close: (T0374)F27.CB and (T0374)A55.CB only 0.000 apart, marking (T0374)A55.CB as missing WARNING: atoms too close: (T0374)L26.CB and (T0374)A55.CB only 0.000 apart, marking (T0374)A55.CB as missing WARNING: atoms too close: (T0374)V54.O and (T0374)A55.O only 0.000 apart, marking (T0374)A55.O as missing WARNING: atoms too close: (T0374)T53.O and (T0374)A55.O only 0.000 apart, marking (T0374)A55.O as missing WARNING: atoms too close: (T0374)S52.O and (T0374)A55.O only 0.000 apart, marking (T0374)A55.O as missing WARNING: atoms too close: (T0374)F27.O and (T0374)A55.O only 0.000 apart, marking (T0374)A55.O as missing WARNING: atoms too close: (T0374)L26.O and (T0374)A55.O only 0.000 apart, marking (T0374)A55.O as missing WARNING: atoms too close: (T0374)V54.C and (T0374)A55.C only 0.000 apart, marking (T0374)A55.C as missing WARNING: atoms too close: (T0374)T53.C and (T0374)A55.C only 0.000 apart, marking (T0374)A55.C as missing WARNING: atoms too close: (T0374)S52.C and (T0374)A55.C only 0.000 apart, marking (T0374)A55.C as missing WARNING: atoms too close: (T0374)F27.C and (T0374)A55.C only 0.000 apart, marking (T0374)A55.C as missing WARNING: atoms too close: (T0374)L26.C and (T0374)A55.C only 0.000 apart, marking (T0374)A55.C as missing WARNING: atoms too close: (T0374)A55.N and (T0374)V56.N only 0.000 apart, marking (T0374)A55.N as missing WARNING: atoms too close: (T0374)V54.N and (T0374)V56.N only 0.000 apart, marking (T0374)V54.N as missing WARNING: atoms too close: (T0374)T53.N and (T0374)V56.N only 0.000 apart, marking (T0374)T53.N as missing WARNING: atoms too close: (T0374)S52.N and (T0374)V56.N only 0.000 apart, marking (T0374)S52.N as missing WARNING: atoms too close: (T0374)F27.N and (T0374)V56.N only 0.000 apart, marking (T0374)F27.N as missing WARNING: atoms too close: (T0374)L26.N and (T0374)V56.N only 0.000 apart, marking (T0374)V56.N as missing WARNING: atoms too close: (T0374)A55.CA and (T0374)V56.CA only 0.000 apart, marking (T0374)V56.CA as missing WARNING: atoms too close: (T0374)V54.CA and (T0374)V56.CA only 0.000 apart, marking (T0374)V56.CA as missing WARNING: atoms too close: (T0374)T53.CA and (T0374)V56.CA only 0.000 apart, marking (T0374)V56.CA as missing WARNING: atoms too close: (T0374)S52.CA and (T0374)V56.CA only 0.000 apart, marking (T0374)V56.CA as missing WARNING: atoms too close: (T0374)F27.CA and (T0374)V56.CA only 0.000 apart, marking (T0374)V56.CA as missing WARNING: atoms too close: (T0374)L26.CA and (T0374)V56.CA only 0.000 apart, marking (T0374)V56.CA as missing WARNING: atoms too close: (T0374)A55.CB and (T0374)V56.CB only 0.000 apart, marking (T0374)V56.CB as missing WARNING: atoms too close: (T0374)V54.CB and (T0374)V56.CB only 0.000 apart, marking (T0374)V56.CB as missing WARNING: atoms too close: (T0374)T53.CB and (T0374)V56.CB only 0.000 apart, marking (T0374)V56.CB as missing WARNING: atoms too close: (T0374)S52.CB and (T0374)V56.CB only 0.000 apart, marking (T0374)V56.CB as missing WARNING: atoms too close: (T0374)F27.CB and (T0374)V56.CB only 0.000 apart, marking (T0374)V56.CB as missing WARNING: atoms too close: (T0374)L26.CB and (T0374)V56.CB only 0.000 apart, marking (T0374)V56.CB as missing WARNING: atoms too close: (T0374)A55.O and (T0374)V56.O only 0.000 apart, marking (T0374)V56.O as missing WARNING: atoms too close: (T0374)V54.O and (T0374)V56.O only 0.000 apart, marking (T0374)V56.O as missing WARNING: atoms too close: (T0374)T53.O and (T0374)V56.O only 0.000 apart, marking (T0374)V56.O as missing WARNING: atoms too close: (T0374)S52.O and (T0374)V56.O only 0.000 apart, marking (T0374)V56.O as missing WARNING: atoms too close: (T0374)F27.O and (T0374)V56.O only 0.000 apart, marking (T0374)V56.O as missing WARNING: atoms too close: (T0374)L26.O and (T0374)V56.O only 0.000 apart, marking (T0374)V56.O as missing WARNING: atoms too close: (T0374)A55.C and (T0374)V56.C only 0.000 apart, marking (T0374)V56.C as missing WARNING: atoms too close: (T0374)V54.C and (T0374)V56.C only 0.000 apart, marking (T0374)V56.C as missing WARNING: atoms too close: (T0374)T53.C and (T0374)V56.C only 0.000 apart, marking (T0374)V56.C as missing WARNING: atoms too close: (T0374)S52.C and (T0374)V56.C only 0.000 apart, marking (T0374)V56.C as missing WARNING: atoms too close: (T0374)F27.C and (T0374)V56.C only 0.000 apart, marking (T0374)V56.C as missing WARNING: atoms too close: (T0374)L26.C and (T0374)V56.C only 0.000 apart, marking (T0374)V56.C as missing WARNING: atoms too close: (T0374)V56.N and (T0374)H57.N only 0.000 apart, marking (T0374)V56.N as missing WARNING: atoms too close: (T0374)A55.N and (T0374)H57.N only 0.000 apart, marking (T0374)A55.N as missing WARNING: atoms too close: (T0374)V54.N and (T0374)H57.N only 0.000 apart, marking (T0374)V54.N as missing WARNING: atoms too close: (T0374)T53.N and (T0374)H57.N only 0.000 apart, marking (T0374)T53.N as missing WARNING: atoms too close: (T0374)S52.N and (T0374)H57.N only 0.000 apart, marking (T0374)S52.N as missing WARNING: atoms too close: (T0374)F27.N and (T0374)H57.N only 0.000 apart, marking (T0374)F27.N as missing WARNING: atoms too close: (T0374)L26.N and (T0374)H57.N only 0.000 apart, marking (T0374)H57.N as missing WARNING: atoms too close: (T0374)V56.CA and (T0374)H57.CA only 0.000 apart, marking (T0374)H57.CA as missing WARNING: atoms too close: (T0374)A55.CA and (T0374)H57.CA only 0.000 apart, marking (T0374)H57.CA as missing WARNING: atoms too close: (T0374)V54.CA and (T0374)H57.CA only 0.000 apart, marking (T0374)H57.CA as missing WARNING: atoms too close: (T0374)T53.CA and (T0374)H57.CA only 0.000 apart, marking (T0374)H57.CA as missing WARNING: atoms too close: (T0374)S52.CA and (T0374)H57.CA only 0.000 apart, marking (T0374)H57.CA as missing WARNING: atoms too close: (T0374)F27.CA and (T0374)H57.CA only 0.000 apart, marking (T0374)H57.CA as missing WARNING: atoms too close: (T0374)L26.CA and (T0374)H57.CA only 0.000 apart, marking (T0374)H57.CA as missing WARNING: atoms too close: (T0374)V56.CB and (T0374)H57.CB only 0.000 apart, marking (T0374)H57.CB as missing WARNING: atoms too close: (T0374)A55.CB and (T0374)H57.CB only 0.000 apart, marking (T0374)H57.CB as missing WARNING: atoms too close: (T0374)V54.CB and (T0374)H57.CB only 0.000 apart, marking (T0374)H57.CB as missing WARNING: atoms too close: (T0374)T53.CB and (T0374)H57.CB only 0.000 apart, marking (T0374)H57.CB as missing WARNING: atoms too close: (T0374)S52.CB and (T0374)H57.CB only 0.000 apart, marking (T0374)H57.CB as missing WARNING: atoms too close: (T0374)F27.CB and (T0374)H57.CB only 0.000 apart, marking (T0374)H57.CB as missing WARNING: atoms too close: (T0374)L26.CB and (T0374)H57.CB only 0.000 apart, marking (T0374)H57.CB as missing WARNING: atoms too close: (T0374)V56.O and (T0374)H57.O only 0.000 apart, marking (T0374)H57.O as missing WARNING: atoms too close: (T0374)A55.O and (T0374)H57.O only 0.000 apart, marking (T0374)H57.O as missing WARNING: atoms too close: (T0374)V54.O and (T0374)H57.O only 0.000 apart, marking (T0374)H57.O as missing WARNING: atoms too close: (T0374)T53.O and (T0374)H57.O only 0.000 apart, marking (T0374)H57.O as missing WARNING: atoms too close: (T0374)S52.O and (T0374)H57.O only 0.000 apart, marking (T0374)H57.O as missing WARNING: atoms too close: (T0374)F27.O and (T0374)H57.O only 0.000 apart, marking (T0374)H57.O as missing WARNING: atoms too close: (T0374)L26.O and (T0374)H57.O only 0.000 apart, marking (T0374)H57.O as missing WARNING: atoms too close: (T0374)V56.C and (T0374)H57.C only 0.000 apart, marking (T0374)H57.C as missing WARNING: atoms too close: (T0374)A55.C and (T0374)H57.C only 0.000 apart, marking (T0374)H57.C as missing WARNING: atoms too close: (T0374)V54.C and (T0374)H57.C only 0.000 apart, marking (T0374)H57.C as missing WARNING: atoms too close: (T0374)T53.C and (T0374)H57.C only 0.000 apart, marking (T0374)H57.C as missing WARNING: atoms too close: (T0374)S52.C and (T0374)H57.C only 0.000 apart, marking (T0374)H57.C as missing WARNING: atoms too close: (T0374)F27.C and (T0374)H57.C only 0.000 apart, marking (T0374)H57.C as missing WARNING: atoms too close: (T0374)L26.C and (T0374)H57.C only 0.000 apart, marking (T0374)H57.C as missing WARNING: atoms too close: (T0374)H57.N and (T0374)D58.N only 0.000 apart, marking (T0374)H57.N as missing WARNING: atoms too close: (T0374)V56.N and (T0374)D58.N only 0.000 apart, marking (T0374)V56.N as missing WARNING: atoms too close: (T0374)A55.N and (T0374)D58.N only 0.000 apart, marking (T0374)A55.N as missing WARNING: atoms too close: (T0374)V54.N and (T0374)D58.N only 0.000 apart, marking (T0374)V54.N as missing WARNING: atoms too close: (T0374)T53.N and (T0374)D58.N only 0.000 apart, marking (T0374)T53.N as missing WARNING: atoms too close: (T0374)S52.N and (T0374)D58.N only 0.000 apart, marking (T0374)S52.N as missing WARNING: atoms too close: (T0374)F27.N and (T0374)D58.N only 0.000 apart, marking (T0374)F27.N as missing WARNING: atoms too close: (T0374)L26.N and (T0374)D58.N only 0.000 apart, marking (T0374)D58.N as missing WARNING: atoms too close: (T0374)H57.CA and (T0374)D58.CA only 0.000 apart, marking (T0374)D58.CA as missing WARNING: atoms too close: (T0374)V56.CA and (T0374)D58.CA only 0.000 apart, marking (T0374)D58.CA as missing WARNING: atoms too close: (T0374)A55.CA and (T0374)D58.CA only 0.000 apart, marking (T0374)D58.CA as missing WARNING: atoms too close: (T0374)V54.CA and (T0374)D58.CA only 0.000 apart, marking (T0374)D58.CA as missing WARNING: atoms too close: (T0374)T53.CA and (T0374)D58.CA only 0.000 apart, marking (T0374)D58.CA as missing WARNING: atoms too close: (T0374)S52.CA and (T0374)D58.CA only 0.000 apart, marking (T0374)D58.CA as missing WARNING: atoms too close: (T0374)F27.CA and (T0374)D58.CA only 0.000 apart, marking (T0374)D58.CA as missing WARNING: atoms too close: (T0374)L26.CA and (T0374)D58.CA only 0.000 apart, marking (T0374)D58.CA as missing WARNING: atoms too close: (T0374)H57.CB and (T0374)D58.CB only 0.000 apart, marking (T0374)D58.CB as missing WARNING: atoms too close: (T0374)V56.CB and (T0374)D58.CB only 0.000 apart, marking (T0374)D58.CB as missing WARNING: atoms too close: (T0374)A55.CB and (T0374)D58.CB only 0.000 apart, marking (T0374)D58.CB as missing WARNING: atoms too close: (T0374)V54.CB and (T0374)D58.CB only 0.000 apart, marking (T0374)D58.CB as missing WARNING: atoms too close: (T0374)T53.CB and (T0374)D58.CB only 0.000 apart, marking (T0374)D58.CB as missing WARNING: atoms too close: (T0374)S52.CB and (T0374)D58.CB only 0.000 apart, marking (T0374)D58.CB as missing WARNING: atoms too close: (T0374)F27.CB and (T0374)D58.CB only 0.000 apart, marking (T0374)D58.CB as missing WARNING: atoms too close: (T0374)L26.CB and (T0374)D58.CB only 0.000 apart, marking (T0374)D58.CB as missing WARNING: atoms too close: (T0374)H57.O and (T0374)D58.O only 0.000 apart, marking (T0374)D58.O as missing WARNING: atoms too close: (T0374)V56.O and (T0374)D58.O only 0.000 apart, marking (T0374)D58.O as missing WARNING: atoms too close: (T0374)A55.O and (T0374)D58.O only 0.000 apart, marking (T0374)D58.O as missing WARNING: atoms too close: (T0374)V54.O and (T0374)D58.O only 0.000 apart, marking (T0374)D58.O as missing WARNING: atoms too close: (T0374)T53.O and (T0374)D58.O only 0.000 apart, marking (T0374)D58.O as missing WARNING: atoms too close: (T0374)S52.O and (T0374)D58.O only 0.000 apart, marking (T0374)D58.O as missing WARNING: atoms too close: (T0374)F27.O and (T0374)D58.O only 0.000 apart, marking (T0374)D58.O as missing WARNING: atoms too close: (T0374)L26.O and (T0374)D58.O only 0.000 apart, marking (T0374)D58.O as missing WARNING: atoms too close: (T0374)H57.C and (T0374)D58.C only 0.000 apart, marking (T0374)D58.C as missing WARNING: atoms too close: (T0374)V56.C and (T0374)D58.C only 0.000 apart, marking (T0374)D58.C as missing WARNING: atoms too close: (T0374)A55.C and (T0374)D58.C only 0.000 apart, marking (T0374)D58.C as missing WARNING: atoms too close: (T0374)V54.C and (T0374)D58.C only 0.000 apart, marking (T0374)D58.C as missing WARNING: atoms too close: (T0374)T53.C and (T0374)D58.C only 0.000 apart, marking (T0374)D58.C as missing WARNING: atoms too close: (T0374)S52.C and (T0374)D58.C only 0.000 apart, marking (T0374)D58.C as missing WARNING: atoms too close: (T0374)F27.C and (T0374)D58.C only 0.000 apart, marking (T0374)D58.C as missing WARNING: atoms too close: (T0374)L26.C and (T0374)D58.C only 0.000 apart, marking (T0374)D58.C as missing WARNING: atoms too close: (T0374)D58.N and (T0374)G59.N only 0.000 apart, marking (T0374)D58.N as missing WARNING: atoms too close: (T0374)H57.N and (T0374)G59.N only 0.000 apart, marking (T0374)H57.N as missing WARNING: atoms too close: (T0374)V56.N and (T0374)G59.N only 0.000 apart, marking (T0374)V56.N as missing WARNING: atoms too close: (T0374)A55.N and (T0374)G59.N only 0.000 apart, marking (T0374)A55.N as missing WARNING: atoms too close: (T0374)V54.N and (T0374)G59.N only 0.000 apart, marking (T0374)V54.N as missing WARNING: atoms too close: (T0374)T53.N and (T0374)G59.N only 0.000 apart, marking (T0374)T53.N as missing WARNING: atoms too close: (T0374)S52.N and (T0374)G59.N only 0.000 apart, marking (T0374)S52.N as missing WARNING: atoms too close: (T0374)F27.N and (T0374)G59.N only 0.000 apart, marking (T0374)F27.N as missing WARNING: atoms too close: (T0374)L26.N and (T0374)G59.N only 0.000 apart, marking (T0374)G59.N as missing WARNING: atoms too close: (T0374)D58.CA and (T0374)G59.CA only 0.000 apart, marking (T0374)G59.CA as missing WARNING: atoms too close: (T0374)H57.CA and (T0374)G59.CA only 0.000 apart, marking (T0374)G59.CA as missing WARNING: atoms too close: (T0374)V56.CA and (T0374)G59.CA only 0.000 apart, marking (T0374)G59.CA as missing WARNING: atoms too close: (T0374)A55.CA and (T0374)G59.CA only 0.000 apart, marking (T0374)G59.CA as missing WARNING: atoms too close: (T0374)V54.CA and (T0374)G59.CA only 0.000 apart, marking (T0374)G59.CA as missing WARNING: atoms too close: (T0374)T53.CA and (T0374)G59.CA only 0.000 apart, marking (T0374)G59.CA as missing WARNING: atoms too close: (T0374)S52.CA and (T0374)G59.CA only 0.000 apart, marking (T0374)G59.CA as missing WARNING: atoms too close: (T0374)F27.CA and (T0374)G59.CA only 0.000 apart, marking (T0374)G59.CA as missing WARNING: atoms too close: (T0374)L26.CA and (T0374)G59.CA only 0.000 apart, marking (T0374)G59.CA as missing WARNING: atoms too close: (T0374)D58.O and (T0374)G59.O only 0.000 apart, marking (T0374)G59.O as missing WARNING: atoms too close: (T0374)H57.O and (T0374)G59.O only 0.000 apart, marking (T0374)G59.O as missing WARNING: atoms too close: (T0374)V56.O and (T0374)G59.O only 0.000 apart, marking (T0374)G59.O as missing WARNING: atoms too close: (T0374)A55.O and (T0374)G59.O only 0.000 apart, marking (T0374)G59.O as missing WARNING: atoms too close: (T0374)V54.O and (T0374)G59.O only 0.000 apart, marking (T0374)G59.O as missing WARNING: atoms too close: (T0374)T53.O and (T0374)G59.O only 0.000 apart, marking (T0374)G59.O as missing WARNING: atoms too close: (T0374)S52.O and (T0374)G59.O only 0.000 apart, marking (T0374)G59.O as missing WARNING: atoms too close: (T0374)F27.O and (T0374)G59.O only 0.000 apart, marking (T0374)G59.O as missing WARNING: atoms too close: (T0374)L26.O and (T0374)G59.O only 0.000 apart, marking (T0374)G59.O as missing WARNING: atoms too close: (T0374)D58.C and (T0374)G59.C only 0.000 apart, marking (T0374)G59.C as missing WARNING: atoms too close: (T0374)H57.C and (T0374)G59.C only 0.000 apart, marking (T0374)G59.C as missing WARNING: atoms too close: (T0374)V56.C and (T0374)G59.C only 0.000 apart, marking (T0374)G59.C as missing WARNING: atoms too close: (T0374)A55.C and (T0374)G59.C only 0.000 apart, marking (T0374)G59.C as missing WARNING: atoms too close: (T0374)V54.C and (T0374)G59.C only 0.000 apart, marking (T0374)G59.C as missing WARNING: atoms too close: (T0374)T53.C and (T0374)G59.C only 0.000 apart, marking (T0374)G59.C as missing WARNING: atoms too close: (T0374)S52.C and (T0374)G59.C only 0.000 apart, marking (T0374)G59.C as missing WARNING: atoms too close: (T0374)F27.C and (T0374)G59.C only 0.000 apart, marking (T0374)G59.C as missing WARNING: atoms too close: (T0374)L26.C and (T0374)G59.C only 0.000 apart, marking (T0374)G59.C as missing WARNING: atoms too close: (T0374)G59.N and (T0374)R105.N only 0.000 apart, marking (T0374)G59.N as missing WARNING: atoms too close: (T0374)D58.N and (T0374)R105.N only 0.000 apart, marking (T0374)D58.N as missing WARNING: atoms too close: (T0374)H57.N and (T0374)R105.N only 0.000 apart, marking (T0374)H57.N as missing WARNING: atoms too close: (T0374)V56.N and (T0374)R105.N only 0.000 apart, marking (T0374)V56.N as missing WARNING: atoms too close: (T0374)A55.N and (T0374)R105.N only 0.000 apart, marking (T0374)A55.N as missing WARNING: atoms too close: (T0374)V54.N and (T0374)R105.N only 0.000 apart, marking (T0374)V54.N as missing WARNING: atoms too close: (T0374)T53.N and (T0374)R105.N only 0.000 apart, marking (T0374)T53.N as missing WARNING: atoms too close: (T0374)S52.N and (T0374)R105.N only 0.000 apart, marking (T0374)S52.N as missing WARNING: atoms too close: (T0374)F27.N and (T0374)R105.N only 0.000 apart, marking (T0374)F27.N as missing WARNING: atoms too close: (T0374)L26.N and (T0374)R105.N only 0.000 apart, marking (T0374)R105.N as missing WARNING: atoms too close: (T0374)G59.CA and (T0374)R105.CA only 0.000 apart, marking (T0374)R105.CA as missing WARNING: atoms too close: (T0374)D58.CA and (T0374)R105.CA only 0.000 apart, marking (T0374)R105.CA as missing WARNING: atoms too close: (T0374)H57.CA and (T0374)R105.CA only 0.000 apart, marking (T0374)R105.CA as missing WARNING: atoms too close: (T0374)V56.CA and (T0374)R105.CA only 0.000 apart, marking (T0374)R105.CA as missing WARNING: atoms too close: (T0374)A55.CA and (T0374)R105.CA only 0.000 apart, marking (T0374)R105.CA as missing WARNING: atoms too close: (T0374)V54.CA and (T0374)R105.CA only 0.000 apart, marking (T0374)R105.CA as missing WARNING: atoms too close: (T0374)T53.CA and (T0374)R105.CA only 0.000 apart, marking (T0374)R105.CA as missing WARNING: atoms too close: (T0374)S52.CA and (T0374)R105.CA only 0.000 apart, marking (T0374)R105.CA as missing WARNING: atoms too close: (T0374)F27.CA and (T0374)R105.CA only 0.000 apart, marking (T0374)R105.CA as missing WARNING: atoms too close: (T0374)L26.CA and (T0374)R105.CA only 0.000 apart, marking (T0374)R105.CA as missing WARNING: atoms too close: (T0374)D58.CB and (T0374)R105.CB only 0.000 apart, marking (T0374)R105.CB as missing WARNING: atoms too close: (T0374)H57.CB and (T0374)R105.CB only 0.000 apart, marking (T0374)R105.CB as missing WARNING: atoms too close: (T0374)V56.CB and (T0374)R105.CB only 0.000 apart, marking (T0374)R105.CB as missing WARNING: atoms too close: (T0374)A55.CB and (T0374)R105.CB only 0.000 apart, marking (T0374)R105.CB as missing WARNING: atoms too close: (T0374)V54.CB and (T0374)R105.CB only 0.000 apart, marking (T0374)R105.CB as missing WARNING: atoms too close: (T0374)T53.CB and (T0374)R105.CB only 0.000 apart, marking (T0374)R105.CB as missing WARNING: atoms too close: (T0374)S52.CB and (T0374)R105.CB only 0.000 apart, marking (T0374)R105.CB as missing WARNING: atoms too close: (T0374)F27.CB and (T0374)R105.CB only 0.000 apart, marking (T0374)R105.CB as missing WARNING: atoms too close: (T0374)L26.CB and (T0374)R105.CB only 0.000 apart, marking (T0374)R105.CB as missing WARNING: atoms too close: (T0374)G59.O and (T0374)R105.O only 0.000 apart, marking (T0374)R105.O as missing WARNING: atoms too close: (T0374)D58.O and (T0374)R105.O only 0.000 apart, marking (T0374)R105.O as missing WARNING: atoms too close: (T0374)H57.O and (T0374)R105.O only 0.000 apart, marking (T0374)R105.O as missing WARNING: atoms too close: (T0374)V56.O and (T0374)R105.O only 0.000 apart, marking (T0374)R105.O as missing WARNING: atoms too close: (T0374)A55.O and (T0374)R105.O only 0.000 apart, marking (T0374)R105.O as missing WARNING: atoms too close: (T0374)V54.O and (T0374)R105.O only 0.000 apart, marking (T0374)R105.O as missing WARNING: atoms too close: (T0374)T53.O and (T0374)R105.O only 0.000 apart, marking (T0374)R105.O as missing WARNING: atoms too close: (T0374)S52.O and (T0374)R105.O only 0.000 apart, marking (T0374)R105.O as missing WARNING: atoms too close: (T0374)F27.O and (T0374)R105.O only 0.000 apart, marking (T0374)R105.O as missing WARNING: atoms too close: (T0374)L26.O and (T0374)R105.O only 0.000 apart, marking (T0374)R105.O as missing WARNING: atoms too close: (T0374)G59.C and (T0374)R105.C only 0.000 apart, marking (T0374)R105.C as missing WARNING: atoms too close: (T0374)D58.C and (T0374)R105.C only 0.000 apart, marking (T0374)R105.C as missing WARNING: atoms too close: (T0374)H57.C and (T0374)R105.C only 0.000 apart, marking (T0374)R105.C as missing WARNING: atoms too close: (T0374)V56.C and (T0374)R105.C only 0.000 apart, marking (T0374)R105.C as missing WARNING: atoms too close: (T0374)A55.C and (T0374)R105.C only 0.000 apart, marking (T0374)R105.C as missing WARNING: atoms too close: (T0374)V54.C and (T0374)R105.C only 0.000 apart, marking (T0374)R105.C as missing WARNING: atoms too close: (T0374)T53.C and (T0374)R105.C only 0.000 apart, marking (T0374)R105.C as missing WARNING: atoms too close: (T0374)S52.C and (T0374)R105.C only 0.000 apart, marking (T0374)R105.C as missing WARNING: atoms too close: (T0374)F27.C and (T0374)R105.C only 0.000 apart, marking (T0374)R105.C as missing WARNING: atoms too close: (T0374)L26.C and (T0374)R105.C only 0.000 apart, marking (T0374)R105.C as missing # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_737418322.pdb -s /var/tmp/to_scwrl_737418322.seq -o /var/tmp/from_scwrl_737418322.pdb > /var/tmp/scwrl_737418322.log Error: Couldn't open file /var/tmp/from_scwrl_737418322.pdb or /var/tmp/from_scwrl_737418322.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_737418322_b.pdb or decoys//var/tmp/from_scwrl_737418322_b.pdb.gz for input Trying /var/tmp/from_scwrl_737418322_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_737418322_b.pdb or /var/tmp/from_scwrl_737418322_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_737418322_a.pdb or decoys//var/tmp/from_scwrl_737418322_a.pdb.gz for input Trying /var/tmp/from_scwrl_737418322_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_737418322_a.pdb or /var/tmp/from_scwrl_737418322_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_737418322.pdb or /var/tmp/from_scwrl_737418322_b.pdb or /var/tmp/from_scwrl_737418322_a.pdb Error: no new SCWRL conformation added # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/panther3_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0374 can't currently be optimized by undertaker # naming current conformation panther3_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1081600654.pdb -s /var/tmp/to_scwrl_1081600654.seq -o /var/tmp/from_scwrl_1081600654.pdb > /var/tmp/scwrl_1081600654.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1081600654.pdb # conformation set from SCWRL output # naming current conformation panther3_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 144 ; scwrl3 -i /var/tmp/to_scwrl_1029675378.pdb -s /var/tmp/to_scwrl_1029675378.seq -o /var/tmp/from_scwrl_1029675378.pdb > /var/tmp/scwrl_1029675378.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1029675378.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 63.882 sec, elapsed time= 608.795 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 67.429 real_cost = -60.630 shub_TS1 costs 67.429 real_cost = -64.755 panther3_TS1-scwrl costs 115.877 real_cost = 445.004 panther3_TS1 costs 115.854 real_cost = 433.949 panther2_TS1-scwrl costs 99.928 real_cost = 206.954 nFOLD_TS5-scwrl costs 58.986 real_cost = -13.142 nFOLD_TS5 costs 59.221 real_cost = 49.988 nFOLD_TS4-scwrl costs 61.362 real_cost = -12.934 nFOLD_TS4 costs 61.362 real_cost = 63.270 nFOLD_TS3-scwrl costs 54.932 real_cost = -62.016 nFOLD_TS3 costs 54.919 real_cost = 7.724 nFOLD_TS2-scwrl costs 56.985 real_cost = -19.299 nFOLD_TS2 costs 57.166 real_cost = 32.586 nFOLD_TS1-scwrl costs 70.297 real_cost = -9.128 nFOLD_TS1 costs 70.297 real_cost = 64.337 mGen-3D_TS1-scwrl costs 53.813 real_cost = 3.260 mGen-3D_TS1 costs 53.819 real_cost = 71.852 keasar-server_TS5-scwrl costs 57.388 real_cost = 25.331 keasar-server_TS5 costs 57.388 real_cost = 27.844 keasar-server_TS4-scwrl costs 48.951 real_cost = -25.345 keasar-server_TS4 costs 48.951 real_cost = -19.899 keasar-server_TS3-scwrl costs 49.149 real_cost = -23.565 keasar-server_TS3 costs 49.149 real_cost = -11.394 keasar-server_TS2-scwrl costs 55.716 real_cost = -35.625 keasar-server_TS2 costs 55.716 real_cost = -31.969 keasar-server_TS1-scwrl costs 51.324 real_cost = -35.622 keasar-server_TS1 costs 51.324 real_cost = -31.197 karypis.srv_TS5-scwrl costs 64.333 real_cost = 60.537 karypis.srv_TS5 costs 64.284 real_cost = 59.649 karypis.srv_TS4-scwrl costs 65.037 real_cost = 80.632 karypis.srv_TS4 costs 65.029 real_cost = 79.427 karypis.srv_TS3-scwrl costs 68.177 real_cost = 76.350 karypis.srv_TS3 costs 68.181 real_cost = 76.121 karypis.srv_TS2-scwrl costs 54.098 real_cost = -6.289 karypis.srv_TS2 costs 54.097 real_cost = -4.164 karypis.srv_TS1-scwrl costs 64.492 real_cost = -12.328 karypis.srv_TS1 costs 64.439 real_cost = -20.564 karypis.srv.4_TS5-scwrl costs 140.762 real_cost = 280.887 karypis.srv.4_TS5 costs 140.762 real_cost = 280.887 karypis.srv.4_TS4-scwrl costs 143.433 real_cost = 318.095 karypis.srv.4_TS4 costs 143.433 real_cost = 319.255 karypis.srv.4_TS3-scwrl costs 148.034 real_cost = 316.867 karypis.srv.4_TS3 costs 148.034 real_cost = 315.670 karypis.srv.4_TS2-scwrl costs 157.821 real_cost = 282.076 karypis.srv.4_TS2 costs 157.821 real_cost = 282.075 karypis.srv.4_TS1-scwrl costs 110.573 real_cost = 256.895 karypis.srv.4_TS1 costs 110.573 real_cost = 256.895 karypis.srv.2_TS5-scwrl costs 68.374 real_cost = 133.705 karypis.srv.2_TS5 costs 68.374 real_cost = 133.710 karypis.srv.2_TS4-scwrl costs 60.579 real_cost = 107.399 karypis.srv.2_TS4 costs 60.579 real_cost = 107.399 karypis.srv.2_TS3-scwrl costs 73.821 real_cost = 158.839 karypis.srv.2_TS3 costs 73.821 real_cost = 158.839 karypis.srv.2_TS2-scwrl costs 71.978 real_cost = 101.992 karypis.srv.2_TS2 costs 71.978 real_cost = 101.992 karypis.srv.2_TS1-scwrl costs 64.685 real_cost = 66.778 karypis.srv.2_TS1 costs 64.685 real_cost = 67.771 forecast-s_AL5-scwrl costs 66.980 real_cost = -2.013 forecast-s_AL5 costs 66.917 real_cost = 81.365 forecast-s_AL4-scwrl costs 62.069 real_cost = 51.881 forecast-s_AL4 costs 62.069 real_cost = 141.506 forecast-s_AL3-scwrl costs 65.338 real_cost = 227.609 forecast-s_AL3 costs 65.601 real_cost = 313.629 forecast-s_AL2-scwrl costs 79.195 real_cost = 95.976 forecast-s_AL2 costs 79.324 real_cost = 178.967 forecast-s_AL1-scwrl costs 65.401 real_cost = 54.761 forecast-s_AL1 costs 65.331 real_cost = 115.796 beautshotbase_TS1-scwrl costs 60.629 real_cost = -52.137 beautshotbase_TS1 costs 60.629 real_cost = -53.076 beautshot_TS1-scwrl costs 63.408 real_cost = -78.925 beautshot_TS1 costs 63.408 real_cost = -74.406 Zhang-Server_TS5-scwrl costs 48.999 real_cost = -71.555 Zhang-Server_TS5 costs 48.999 real_cost = -71.521 Zhang-Server_TS4-scwrl costs 46.070 real_cost = -92.846 Zhang-Server_TS4 costs 46.070 real_cost = -92.846 Zhang-Server_TS3-scwrl costs 48.392 real_cost = -102.382 Zhang-Server_TS3 costs 48.392 real_cost = -102.382 Zhang-Server_TS2-scwrl costs 45.969 real_cost = -109.153 Zhang-Server_TS2 costs 45.969 real_cost = -109.823 Zhang-Server_TS1-scwrl costs 47.771 real_cost = -96.970 Zhang-Server_TS1 costs 47.771 real_cost = -96.970 UNI-EID_sfst_AL5-scwrl costs 49.625 real_cost = -84.315 UNI-EID_sfst_AL5 costs 49.600 real_cost = -0.546 UNI-EID_sfst_AL4-scwrl costs 52.459 real_cost = -49.591 UNI-EID_sfst_AL4 costs 52.449 real_cost = 38.239 UNI-EID_sfst_AL3-scwrl costs 72.880 real_cost = 70.670 UNI-EID_sfst_AL3 costs 72.909 real_cost = 149.903 UNI-EID_sfst_AL2-scwrl costs 49.999 real_cost = -49.453 UNI-EID_sfst_AL2 costs 49.940 real_cost = 36.730 UNI-EID_sfst_AL1-scwrl costs 49.969 real_cost = -54.514 UNI-EID_sfst_AL1 costs 49.969 real_cost = 45.476 UNI-EID_expm_TS1-scwrl costs 74.527 real_cost = -67.391 UNI-EID_expm_TS1 costs 74.527 real_cost = 8.472 UNI-EID_bnmx_TS5-scwrl costs 49.625 real_cost = -84.315 UNI-EID_bnmx_TS5 costs 49.600 real_cost = -0.546 UNI-EID_bnmx_TS4-scwrl costs 52.459 real_cost = -49.591 UNI-EID_bnmx_TS4 costs 52.449 real_cost = 38.239 UNI-EID_bnmx_TS3-scwrl costs 67.200 real_cost = 41.375 UNI-EID_bnmx_TS3 costs 67.251 real_cost = 122.418 UNI-EID_bnmx_TS2-scwrl costs 46.576 real_cost = -44.458 UNI-EID_bnmx_TS2 costs 46.512 real_cost = 51.172 UNI-EID_bnmx_TS1-scwrl costs 51.147 real_cost = -52.449 UNI-EID_bnmx_TS1 costs 51.147 real_cost = 47.473 SPARKS2_TS5-scwrl costs 48.596 real_cost = 6.363 SPARKS2_TS5 costs 48.596 real_cost = 12.701 SPARKS2_TS4-scwrl costs 47.452 real_cost = -54.995 SPARKS2_TS4 costs 47.452 real_cost = -53.515 SPARKS2_TS3-scwrl costs 64.078 real_cost = 53.835 SPARKS2_TS3 costs 64.078 real_cost = 52.663 SPARKS2_TS2-scwrl costs 50.045 real_cost = -45.328 SPARKS2_TS2 costs 50.045 real_cost = -41.014 SPARKS2_TS1-scwrl costs 51.985 real_cost = -77.523 SPARKS2_TS1 costs 51.985 real_cost = -78.482 SP4_TS5-scwrl costs 62.172 real_cost = -29.648 SP4_TS5 costs 62.172 real_cost = -24.843 SP4_TS4-scwrl costs 51.738 real_cost = 0.348 SP4_TS4 costs 51.738 real_cost = 5.218 SP4_TS3-scwrl costs 48.166 real_cost = -41.904 SP4_TS3 costs 48.166 real_cost = -41.237 SP4_TS2-scwrl costs 40.656 real_cost = -50.205 SP4_TS2 costs 40.656 real_cost = -47.445 SP4_TS1-scwrl costs 58.591 real_cost = -31.343 SP4_TS1 costs 58.591 real_cost = -29.694 SP3_TS5-scwrl costs 43.742 real_cost = -63.266 SP3_TS5 costs 43.742 real_cost = -60.435 SP3_TS4-scwrl costs 45.400 real_cost = -41.700 SP3_TS4 costs 45.400 real_cost = -46.129 SP3_TS3-scwrl costs 50.754 real_cost = 22.463 SP3_TS3 costs 50.754 real_cost = 21.655 SP3_TS2-scwrl costs 52.081 real_cost = -31.865 SP3_TS2 costs 52.081 real_cost = -34.075 SP3_TS1-scwrl costs 53.134 real_cost = -79.785 SP3_TS1 costs 53.134 real_cost = -78.655 SAM_T06_server_TS5-scwrl costs 58.602 real_cost = -25.773 SAM_T06_server_TS5 costs 58.634 real_cost = -55.597 SAM_T06_server_TS4-scwrl costs 65.125 real_cost = 1.569 SAM_T06_server_TS4 costs 65.116 real_cost = -42.968 SAM_T06_server_TS3-scwrl costs 74.026 real_cost = 68.290 SAM_T06_server_TS3 costs 74.305 real_cost = 6.215 SAM_T06_server_TS2-scwrl costs 51.926 real_cost = -39.184 SAM_T06_server_TS2 costs 51.953 real_cost = -56.650 SAM_T06_server_TS1-scwrl costs 44.909 real_cost = -125.494 SAM_T06_server_TS1 costs 44.909 real_cost = -122.012 SAM-T99_AL5-scwrl costs 48.814 real_cost = -54.687 SAM-T99_AL5 costs 48.814 real_cost = 52.039 SAM-T99_AL4-scwrl costs 57.524 real_cost = 4.414 SAM-T99_AL4 costs 57.404 real_cost = 93.693 SAM-T99_AL3-scwrl costs 51.337 real_cost = -42.003 SAM-T99_AL3 costs 51.315 real_cost = 50.717 SAM-T99_AL2-scwrl costs 48.944 real_cost = -45.885 SAM-T99_AL2 costs 48.906 real_cost = 47.663 SAM-T99_AL1-scwrl costs 46.467 real_cost = -52.935 SAM-T99_AL1 costs 46.441 real_cost = 41.788 SAM-T02_AL5-scwrl costs 68.546 real_cost = 71.381 SAM-T02_AL5 costs 68.608 real_cost = 143.757 SAM-T02_AL4-scwrl costs 63.306 real_cost = 45.409 SAM-T02_AL4 costs 63.292 real_cost = 141.540 SAM-T02_AL3-scwrl costs 58.420 real_cost = 40.279 SAM-T02_AL3 costs 58.417 real_cost = 134.768 SAM-T02_AL2-scwrl costs 57.307 real_cost = 1.532 SAM-T02_AL2 costs 57.335 real_cost = 97.884 SAM-T02_AL1-scwrl costs 61.119 real_cost = 13.018 SAM-T02_AL1 costs 61.109 real_cost = 103.156 ROKKY_TS5-scwrl costs 54.509 real_cost = 32.973 ROKKY_TS5 costs 54.509 real_cost = 29.514 ROKKY_TS4-scwrl costs 50.105 real_cost = -76.831 ROKKY_TS4 costs 50.105 real_cost = -76.182 ROKKY_TS3-scwrl costs 44.707 real_cost = -88.855 ROKKY_TS3 costs 44.707 real_cost = -76.298 ROKKY_TS2-scwrl costs 52.167 real_cost = -75.890 ROKKY_TS2 costs 52.167 real_cost = -74.681 ROKKY_TS1-scwrl costs 45.036 real_cost = -72.451 ROKKY_TS1 costs 45.036 real_cost = -71.941 ROBETTA_TS5-scwrl costs 44.079 real_cost = -71.276 ROBETTA_TS5 costs 44.079 real_cost = -67.789 ROBETTA_TS4-scwrl costs 44.532 real_cost = -64.437 ROBETTA_TS4 costs 44.532 real_cost = -61.253 ROBETTA_TS3-scwrl costs 44.582 real_cost = -62.796 ROBETTA_TS3 costs 44.582 real_cost = -67.848 ROBETTA_TS2-scwrl costs 54.434 real_cost = -56.572 ROBETTA_TS2 costs 54.434 real_cost = -56.987 ROBETTA_TS1-scwrl costs 41.476 real_cost = -58.175 ROBETTA_TS1 costs 41.476 real_cost = -61.388 RAPTOR_TS5-scwrl costs 45.055 real_cost = -36.581 RAPTOR_TS5 costs 45.055 real_cost = -33.058 RAPTOR_TS4-scwrl costs 47.101 real_cost = -83.925 RAPTOR_TS4 costs 47.101 real_cost = -78.643 RAPTOR_TS3-scwrl costs 51.917 real_cost = -41.535 RAPTOR_TS3 costs 51.917 real_cost = -43.633 RAPTOR_TS2-scwrl costs 44.422 real_cost = -100.822 RAPTOR_TS2 costs 44.422 real_cost = -98.067 RAPTOR_TS1-scwrl costs 55.411 real_cost = -62.275 RAPTOR_TS1 costs 55.411 real_cost = -58.148 RAPTORESS_TS5-scwrl costs 52.186 real_cost = -33.624 RAPTORESS_TS5 costs 52.186 real_cost = -29.345 RAPTORESS_TS4-scwrl costs 57.061 real_cost = -73.165 RAPTORESS_TS4 costs 57.061 real_cost = -67.103 RAPTORESS_TS3-scwrl costs 56.838 real_cost = -26.241 RAPTORESS_TS3 costs 56.838 real_cost = -18.290 RAPTORESS_TS2-scwrl costs 50.282 real_cost = -94.521 RAPTORESS_TS2 costs 50.282 real_cost = -89.239 RAPTORESS_TS1-scwrl costs 67.169 real_cost = -46.364 RAPTORESS_TS1 costs 67.169 real_cost = -40.397 RAPTOR-ACE_TS5-scwrl costs 52.081 real_cost = -31.865 RAPTOR-ACE_TS5 costs 52.081 real_cost = -34.075 RAPTOR-ACE_TS4-scwrl costs 49.647 real_cost = -37.739 RAPTOR-ACE_TS4 costs 49.647 real_cost = -32.307 RAPTOR-ACE_TS3-scwrl costs 50.162 real_cost = -74.190 RAPTOR-ACE_TS3 costs 50.162 real_cost = -68.003 RAPTOR-ACE_TS2-scwrl costs 53.934 real_cost = -93.517 RAPTOR-ACE_TS2 costs 53.934 real_cost = -86.767 RAPTOR-ACE_TS1-scwrl costs 43.132 real_cost = -64.577 RAPTOR-ACE_TS1 costs 43.132 real_cost = -59.624 Pmodeller6_TS5-scwrl costs 60.232 real_cost = 55.142 Pmodeller6_TS5 costs 60.211 real_cost = 49.472 Pmodeller6_TS4-scwrl costs 41.476 real_cost = -58.175 Pmodeller6_TS4 costs 41.476 real_cost = -61.388 Pmodeller6_TS3-scwrl costs 50.355 real_cost = 4.685 Pmodeller6_TS3 costs 50.355 real_cost = 4.685 Pmodeller6_TS2-scwrl costs 44.582 real_cost = -62.796 Pmodeller6_TS2 costs 44.582 real_cost = -67.848 Pmodeller6_TS1-scwrl costs 44.532 real_cost = -64.437 Pmodeller6_TS1 costs 44.532 real_cost = -61.253 Phyre-2_TS5-scwrl costs 49.939 real_cost = -35.554 Phyre-2_TS5 costs 49.939 real_cost = -42.248 Phyre-2_TS4-scwrl costs 49.939 real_cost = -35.554 Phyre-2_TS4 costs 49.939 real_cost = -42.248 Phyre-2_TS3-scwrl costs 49.939 real_cost = -35.554 Phyre-2_TS3 costs 49.939 real_cost = -42.248 Phyre-2_TS2-scwrl costs 47.518 real_cost = -31.490 Phyre-2_TS2 costs 47.518 real_cost = -38.261 Phyre-2_TS1-scwrl costs 50.822 real_cost = -63.480 Phyre-2_TS1 costs 50.822 real_cost = -71.024 Phyre-1_TS1-scwrl costs 44.844 real_cost = -93.319 Phyre-1_TS1 costs 44.795 real_cost = -100.700 Pcons6_TS5-scwrl costs 56.044 real_cost = 19.399 Pcons6_TS5 costs 56.044 real_cost = 19.400 Pcons6_TS4-scwrl costs 50.040 real_cost = -13.341 Pcons6_TS4 costs 50.044 real_cost = -14.777 Pcons6_TS3-scwrl costs 56.734 real_cost = 19.004 Pcons6_TS3 costs 56.730 real_cost = 18.773 Pcons6_TS2-scwrl costs 48.927 real_cost = -17.470 Pcons6_TS2 costs 48.928 real_cost = -21.892 Pcons6_TS1-scwrl costs 53.988 real_cost = -13.223 Pcons6_TS1 costs 53.989 real_cost = -16.422 PROTINFO_TS5-scwrl costs 66.773 real_cost = 56.593 PROTINFO_TS5 costs 66.773 real_cost = 55.478 PROTINFO_TS4-scwrl costs 103.095 real_cost = 199.784 PROTINFO_TS4 costs 103.095 real_cost = 201.390 PROTINFO_TS3-scwrl costs 71.286 real_cost = 74.501 PROTINFO_TS3 costs 71.286 real_cost = 66.900 PROTINFO_TS2-scwrl costs 65.839 real_cost = 57.325 PROTINFO_TS2 costs 65.839 real_cost = 54.676 PROTINFO_TS1-scwrl costs 53.012 real_cost = -69.523 PROTINFO_TS1 costs 53.012 real_cost = -63.970 PROTINFO-AB_TS5-scwrl costs 53.089 real_cost = -51.801 PROTINFO-AB_TS5 costs 53.089 real_cost = -48.837 PROTINFO-AB_TS4-scwrl costs 54.189 real_cost = -45.055 PROTINFO-AB_TS4 costs 54.189 real_cost = -44.746 PROTINFO-AB_TS3-scwrl costs 55.027 real_cost = -39.799 PROTINFO-AB_TS3 costs 55.027 real_cost = -38.107 PROTINFO-AB_TS2-scwrl costs 51.587 real_cost = -50.279 PROTINFO-AB_TS2 costs 51.587 real_cost = -54.450 PROTINFO-AB_TS1-scwrl costs 54.225 real_cost = -40.710 PROTINFO-AB_TS1 costs 54.225 real_cost = -43.742 POMYSL_TS5-scwrl costs 140.939 real_cost = 478.165 POMYSL_TS5 costs 140.887 real_cost = 498.512 POMYSL_TS4-scwrl costs 134.322 real_cost = 512.331 POMYSL_TS4 costs 134.345 real_cost = 510.254 POMYSL_TS3-scwrl costs 133.556 real_cost = 450.400 POMYSL_TS3 costs 133.651 real_cost = 460.982 POMYSL_TS2-scwrl costs 141.646 real_cost = 444.224 POMYSL_TS2 costs 141.590 real_cost = 445.517 POMYSL_TS1-scwrl costs 138.595 real_cost = 462.346 POMYSL_TS1 costs 138.619 real_cost = 457.982 NN_PUT_lab_TS1-scwrl costs 68.574 real_cost = 8.734 NN_PUT_lab_TS1 costs 68.649 real_cost = 12.963 MetaTasser_TS2-scwrl costs 93.594 real_cost = 50.040 MetaTasser_TS2 costs 93.594 real_cost = 50.325 MetaTasser_TS1-scwrl costs 56.349 real_cost = -104.225 MetaTasser_TS1 costs 56.349 real_cost = -97.218 Ma-OPUS-server_TS5-scwrl costs 55.261 real_cost = -31.274 Ma-OPUS-server_TS5 costs 55.261 real_cost = -27.375 Ma-OPUS-server_TS4-scwrl costs 48.776 real_cost = 12.774 Ma-OPUS-server_TS4 costs 48.776 real_cost = 12.686 Ma-OPUS-server_TS3-scwrl costs 51.779 real_cost = -69.486 Ma-OPUS-server_TS3 costs 51.779 real_cost = -63.427 Ma-OPUS-server_TS2-scwrl costs 61.220 real_cost = -57.549 Ma-OPUS-server_TS2 costs 61.220 real_cost = -57.898 Ma-OPUS-server_TS1-scwrl costs 53.488 real_cost = -52.423 Ma-OPUS-server_TS1 costs 53.488 real_cost = -47.203 Ma-OPUS-server2_TS5-scwrl costs 65.070 real_cost = 81.004 Ma-OPUS-server2_TS5 costs 65.070 real_cost = 88.900 Ma-OPUS-server2_TS4-scwrl costs 70.859 real_cost = 23.828 Ma-OPUS-server2_TS4 costs 70.859 real_cost = 31.447 Ma-OPUS-server2_TS3-scwrl costs 57.813 real_cost = -25.983 Ma-OPUS-server2_TS3 costs 57.813 real_cost = -25.912 Ma-OPUS-server2_TS2-scwrl costs 53.488 real_cost = -52.423 Ma-OPUS-server2_TS2 costs 53.488 real_cost = -47.203 Ma-OPUS-server2_TS1-scwrl costs 54.145 real_cost = -45.588 Ma-OPUS-server2_TS1 costs 54.145 real_cost = -42.781 MIG_FROST_AL1-scwrl costs 67.970 real_cost = 87.382 MIG_FROST_AL1 costs 67.918 real_cost = 192.803 LOOPP_TS5-scwrl costs 61.495 real_cost = 13.525 LOOPP_TS5 costs 61.503 real_cost = 20.672 LOOPP_TS4-scwrl costs 51.559 real_cost = 30.680 LOOPP_TS4 costs 51.508 real_cost = 29.178 LOOPP_TS3-scwrl costs 66.250 real_cost = 30.169 LOOPP_TS3 costs 66.137 real_cost = 25.813 LOOPP_TS2-scwrl costs 53.553 real_cost = 18.776 LOOPP_TS2 costs 53.501 real_cost = 18.010 LOOPP_TS1-scwrl costs 68.574 real_cost = 8.734 LOOPP_TS1 costs 68.649 real_cost = 12.963 Huber-Torda-Server_TS5-scwrl costs 74.765 real_cost = 96.845 Huber-Torda-Server_TS5 costs 75.018 real_cost = 129.274 Huber-Torda-Server_TS4-scwrl costs 91.692 real_cost = 227.934 Huber-Torda-Server_TS4 costs 91.916 real_cost = 266.055 Huber-Torda-Server_TS3-scwrl costs 51.981 real_cost = -30.627 Huber-Torda-Server_TS3 costs 52.152 real_cost = 15.392 Huber-Torda-Server_TS2-scwrl costs 64.460 real_cost = 46.438 Huber-Torda-Server_TS2 costs 64.521 real_cost = 102.206 Huber-Torda-Server_TS1-scwrl costs 59.169 real_cost = 5.999 Huber-Torda-Server_TS1 costs 59.138 real_cost = 54.147 HHpred3_TS1-scwrl costs 51.534 real_cost = -94.871 HHpred3_TS1 costs 51.534 real_cost = -92.574 HHpred2_TS1-scwrl costs 47.477 real_cost = -96.059 HHpred2_TS1 costs 47.477 real_cost = -97.510 HHpred1_TS1-scwrl costs 48.538 real_cost = -101.795 HHpred1_TS1 costs 48.538 real_cost = -94.238 GeneSilicoMetaServer_TS5-scwrl costs 52.528 real_cost = -16.636 GeneSilicoMetaServer_TS5 costs 52.528 real_cost = -7.281 GeneSilicoMetaServer_TS4-scwrl costs 48.734 real_cost = -72.679 GeneSilicoMetaServer_TS4 costs 48.734 real_cost = -67.585 GeneSilicoMetaServer_TS3-scwrl costs 45.865 real_cost = -36.604 GeneSilicoMetaServer_TS3 costs 45.865 real_cost = -32.063 GeneSilicoMetaServer_TS2-scwrl costs 54.369 real_cost = -36.092 GeneSilicoMetaServer_TS2 costs 54.373 real_cost = -35.791 GeneSilicoMetaServer_TS1-scwrl costs 46.005 real_cost = -57.012 GeneSilicoMetaServer_TS1 costs 46.009 real_cost = -59.890 Frankenstein_TS5-scwrl costs 62.291 real_cost = -12.642 Frankenstein_TS5 costs 62.291 real_cost = -5.868 Frankenstein_TS4-scwrl costs 59.317 real_cost = 100.217 Frankenstein_TS4 costs 59.317 real_cost = 106.247 Frankenstein_TS3-scwrl costs 52.558 real_cost = 3.921 Frankenstein_TS3 costs 52.558 real_cost = 10.475 Frankenstein_TS2-scwrl costs 50.953 real_cost = 4.132 Frankenstein_TS2 costs 50.953 real_cost = 3.746 Frankenstein_TS1-scwrl costs 55.697 real_cost = 0.809 Frankenstein_TS1 costs 55.697 real_cost = -1.553 FUNCTION_TS5-scwrl costs 51.860 real_cost = -101.194 FUNCTION_TS5 costs 51.860 real_cost = -101.118 FUNCTION_TS4-scwrl costs 47.180 real_cost = -43.876 FUNCTION_TS4 costs 47.180 real_cost = -41.513 FUNCTION_TS3-scwrl costs 68.327 real_cost = -22.394 FUNCTION_TS3 costs 68.327 real_cost = -26.502 FUNCTION_TS2-scwrl costs 55.402 real_cost = -24.566 FUNCTION_TS2 costs 55.402 real_cost = -29.890 FUNCTION_TS1-scwrl costs 54.649 real_cost = -76.987 FUNCTION_TS1 costs 54.649 real_cost = -78.571 FUGUE_AL5-scwrl costs 63.157 real_cost = 35.539 FUGUE_AL5 costs 63.159 real_cost = 132.751 FUGUE_AL4-scwrl costs 63.394 real_cost = 88.457 FUGUE_AL4 costs 63.369 real_cost = 159.875 FUGUE_AL3-scwrl costs 67.007 real_cost = 57.493 FUGUE_AL3 costs 66.990 real_cost = 156.235 FUGUE_AL2-scwrl costs 68.106 real_cost = -1.182 FUGUE_AL2 costs 68.107 real_cost = 94.926 FUGUE_AL1-scwrl costs 63.124 real_cost = 18.015 FUGUE_AL1 costs 63.124 real_cost = 118.979 FUGMOD_TS5-scwrl costs 60.231 real_cost = 30.463 FUGMOD_TS5 costs 60.234 real_cost = 34.162 FUGMOD_TS4-scwrl costs 54.997 real_cost = 46.971 FUGMOD_TS4 costs 54.997 real_cost = 45.640 FUGMOD_TS3-scwrl costs 55.117 real_cost = 40.594 FUGMOD_TS3 costs 55.117 real_cost = 51.008 FUGMOD_TS2-scwrl costs 62.350 real_cost = -8.128 FUGMOD_TS2 costs 62.346 real_cost = -17.477 FUGMOD_TS1-scwrl costs 53.220 real_cost = -12.021 FUGMOD_TS1 costs 53.220 real_cost = -2.955 FPSOLVER-SERVER_TS5-scwrl costs 143.571 real_cost = 298.582 FPSOLVER-SERVER_TS5 costs 143.571 real_cost = 305.461 FPSOLVER-SERVER_TS4-scwrl costs 142.436 real_cost = 346.551 FPSOLVER-SERVER_TS4 costs 142.436 real_cost = 349.696 FPSOLVER-SERVER_TS3-scwrl costs 152.601 real_cost = 340.845 FPSOLVER-SERVER_TS3 costs 152.601 real_cost = 342.474 FPSOLVER-SERVER_TS2-scwrl costs 155.906 real_cost = 347.464 FPSOLVER-SERVER_TS2 costs 155.906 real_cost = 350.782 FPSOLVER-SERVER_TS1-scwrl costs 158.949 real_cost = 353.404 FPSOLVER-SERVER_TS1 costs 158.949 real_cost = 353.559 FORTE2_AL5-scwrl costs 79.927 real_cost = 151.335 FORTE2_AL5 costs 79.918 real_cost = 244.670 FORTE2_AL4-scwrl costs 52.068 real_cost = 39.386 FORTE2_AL4 costs 52.068 real_cost = 34.552 FORTE2_AL3-scwrl costs 57.547 real_cost = -22.209 FORTE2_AL3 costs 57.545 real_cost = 78.851 FORTE2_AL2-scwrl costs 75.367 real_cost = 15.273 FORTE2_AL2 costs 75.439 real_cost = 111.440 FORTE2_AL1-scwrl costs 50.946 real_cost = 0.869 FORTE2_AL1 costs 50.946 real_cost = 106.365 FORTE1_AL5-scwrl costs 53.582 real_cost = 40.607 FORTE1_AL5 costs 53.582 real_cost = 35.772 FORTE1_AL4-scwrl costs 78.186 real_cost = 114.669 FORTE1_AL4 costs 78.169 real_cost = 206.582 FORTE1_AL3-scwrl costs 50.755 real_cost = 2.610 FORTE1_AL3 costs 50.755 real_cost = 107.501 FORTE1_AL2-scwrl costs 75.367 real_cost = 15.273 FORTE1_AL2 costs 75.439 real_cost = 111.440 FORTE1_AL1-scwrl costs 57.547 real_cost = -22.209 FORTE1_AL1 costs 57.545 real_cost = 78.851 FOLDpro_TS5-scwrl costs 55.564 real_cost = 3.004 FOLDpro_TS5 costs 55.564 real_cost = 5.732 FOLDpro_TS4-scwrl costs 61.456 real_cost = 120.251 FOLDpro_TS4 costs 61.456 real_cost = 121.816 FOLDpro_TS3-scwrl costs 57.591 real_cost = 72.123 FOLDpro_TS3 costs 57.591 real_cost = 75.512 FOLDpro_TS2-scwrl costs 44.314 real_cost = -97.206 FOLDpro_TS2 costs 44.314 real_cost = -96.307 FOLDpro_TS1-scwrl costs 45.509 real_cost = -49.900 FOLDpro_TS1 costs 45.509 real_cost = -43.261 FAMS_TS5-scwrl costs 47.180 real_cost = -43.876 FAMS_TS5 costs 47.180 real_cost = -41.513 FAMS_TS4-scwrl costs 54.649 real_cost = -76.987 FAMS_TS4 costs 54.649 real_cost = -78.571 FAMS_TS3-scwrl costs 52.393 real_cost = -60.012 FAMS_TS3 costs 52.344 real_cost = -59.026 FAMS_TS2-scwrl costs 65.741 real_cost = -71.842 FAMS_TS2 costs 65.741 real_cost = -70.805 FAMS_TS1-scwrl costs 53.896 real_cost = -40.608 FAMS_TS1 costs 53.896 real_cost = -36.832 FAMSD_TS5-scwrl costs 52.515 real_cost = -48.531 FAMSD_TS5 costs 52.521 real_cost = -46.381 FAMSD_TS4-scwrl costs 55.585 real_cost = -40.468 FAMSD_TS4 costs 55.532 real_cost = -38.418 FAMSD_TS3-scwrl costs 52.393 real_cost = -63.814 FAMSD_TS3 costs 52.340 real_cost = -55.070 FAMSD_TS2-scwrl costs 52.393 real_cost = -60.012 FAMSD_TS2 costs 52.344 real_cost = -59.026 FAMSD_TS1-scwrl costs 42.847 real_cost = -75.862 FAMSD_TS1 costs 42.847 real_cost = -65.791 Distill_TS5-scwrl costs 233.637 real_cost = 268.989 Distill_TS4-scwrl costs 232.859 real_cost = 265.774 Distill_TS3-scwrl costs 231.858 real_cost = 267.319 Distill_TS2-scwrl costs 233.111 real_cost = 263.730 Distill_TS1-scwrl costs 233.784 real_cost = 271.059 CaspIta-FOX_TS5-scwrl costs 57.486 real_cost = -17.380 CaspIta-FOX_TS5 costs 57.436 real_cost = -24.703 CaspIta-FOX_TS4-scwrl costs 58.008 real_cost = 1.612 CaspIta-FOX_TS4 costs 58.003 real_cost = -5.350 CaspIta-FOX_TS3-scwrl costs 57.137 real_cost = -1.053 CaspIta-FOX_TS3 costs 57.122 real_cost = -7.582 CaspIta-FOX_TS2-scwrl costs 71.112 real_cost = 33.099 CaspIta-FOX_TS2 costs 71.063 real_cost = 25.435 CaspIta-FOX_TS1-scwrl costs 48.214 real_cost = -69.759 CaspIta-FOX_TS1 costs 48.161 real_cost = -81.859 CPHmodels_TS1-scwrl costs 73.027 real_cost = 187.428 CPHmodels_TS1 costs 73.041 real_cost = 185.176 CIRCLE_TS5-scwrl costs 48.433 real_cost = -102.574 CIRCLE_TS5 costs 48.433 real_cost = -103.653 CIRCLE_TS4-scwrl costs 61.105 real_cost = -71.408 CIRCLE_TS4 costs 61.105 real_cost = -62.515 CIRCLE_TS3-scwrl costs 63.824 real_cost = -60.900 CIRCLE_TS3 costs 63.824 real_cost = -59.213 CIRCLE_TS2-scwrl costs 51.246 real_cost = -28.252 CIRCLE_TS2 costs 51.246 real_cost = -30.712 CIRCLE_TS1-scwrl costs 65.741 real_cost = -71.842 CIRCLE_TS1 costs 65.741 real_cost = -70.805 Bilab-ENABLE_TS5-scwrl costs 53.471 real_cost = -14.956 Bilab-ENABLE_TS5 costs 53.471 real_cost = -14.956 Bilab-ENABLE_TS4-scwrl costs 51.985 real_cost = -33.629 Bilab-ENABLE_TS4 costs 51.985 real_cost = -33.629 Bilab-ENABLE_TS3-scwrl costs 48.454 real_cost = -51.035 Bilab-ENABLE_TS3 costs 48.454 real_cost = -51.035 Bilab-ENABLE_TS2-scwrl costs 48.044 real_cost = -66.666 Bilab-ENABLE_TS2 costs 48.044 real_cost = -66.666 Bilab-ENABLE_TS1-scwrl costs 43.130 real_cost = -44.812 Bilab-ENABLE_TS1 costs 43.130 real_cost = -44.143 BayesHH_TS1-scwrl costs 45.331 real_cost = -104.868 BayesHH_TS1 costs 45.331 real_cost = -103.709 ABIpro_TS5-scwrl costs 84.957 real_cost = 199.733 ABIpro_TS5 costs 84.957 real_cost = 199.712 ABIpro_TS4-scwrl costs 66.153 real_cost = 231.721 ABIpro_TS4 costs 66.153 real_cost = 231.721 ABIpro_TS3-scwrl costs 79.073 real_cost = 219.208 ABIpro_TS3 costs 79.073 real_cost = 215.856 ABIpro_TS2-scwrl costs 62.374 real_cost = 188.822 ABIpro_TS2 costs 62.374 real_cost = 188.822 ABIpro_TS1-scwrl costs 79.732 real_cost = 241.000 ABIpro_TS1 costs 79.732 real_cost = 240.995 3Dpro_TS5-scwrl costs 55.564 real_cost = 3.004 3Dpro_TS5 costs 55.564 real_cost = 5.732 3Dpro_TS4-scwrl costs 58.941 real_cost = 16.654 3Dpro_TS4 costs 58.941 real_cost = 17.986 3Dpro_TS3-scwrl costs 51.409 real_cost = -28.202 3Dpro_TS3 costs 51.409 real_cost = -21.291 3Dpro_TS2-scwrl costs 57.863 real_cost = -90.602 3Dpro_TS2 costs 57.863 real_cost = -84.521 3Dpro_TS1-scwrl costs 44.314 real_cost = -97.206 3Dpro_TS1 costs 44.314 real_cost = -96.307 3D-JIGSAW_TS5-scwrl costs 79.931 real_cost = 121.909 3D-JIGSAW_TS5 costs 79.965 real_cost = 123.613 3D-JIGSAW_TS4-scwrl costs 90.031 real_cost = 123.990 3D-JIGSAW_TS4 costs 90.049 real_cost = 136.014 3D-JIGSAW_TS3-scwrl costs 111.448 real_cost = 200.601 3D-JIGSAW_TS3 costs 111.460 real_cost = 209.203 3D-JIGSAW_TS2-scwrl costs 78.557 real_cost = 163.794 3D-JIGSAW_TS2 costs 78.586 real_cost = 178.160 3D-JIGSAW_TS1-scwrl costs 75.611 real_cost = 149.224 3D-JIGSAW_TS1 costs 75.545 real_cost = 159.421 3D-JIGSAW_RECOM_TS5-scwrl costs 81.596 real_cost = 184.187 3D-JIGSAW_RECOM_TS5 costs 81.580 real_cost = 194.087 3D-JIGSAW_RECOM_TS4-scwrl costs 78.339 real_cost = 162.948 3D-JIGSAW_RECOM_TS4 costs 78.367 real_cost = 168.171 3D-JIGSAW_RECOM_TS3-scwrl costs 78.790 real_cost = 164.092 3D-JIGSAW_RECOM_TS3 costs 78.819 real_cost = 167.543 3D-JIGSAW_RECOM_TS2-scwrl costs 75.939 real_cost = 150.896 3D-JIGSAW_RECOM_TS2 costs 75.919 real_cost = 161.908 3D-JIGSAW_RECOM_TS1-scwrl costs 75.989 real_cost = 146.720 3D-JIGSAW_RECOM_TS1 costs 75.968 real_cost = 152.644 3D-JIGSAW_POPULUS_TS5-scwrl costs 77.586 real_cost = 173.403 3D-JIGSAW_POPULUS_TS5 costs 77.596 real_cost = 170.381 3D-JIGSAW_POPULUS_TS4-scwrl costs 75.608 real_cost = 134.639 3D-JIGSAW_POPULUS_TS4 costs 75.634 real_cost = 134.339 3D-JIGSAW_POPULUS_TS3-scwrl costs 78.628 real_cost = 133.315 3D-JIGSAW_POPULUS_TS3 costs 78.583 real_cost = 132.945 3D-JIGSAW_POPULUS_TS2-scwrl costs 77.600 real_cost = 111.826 3D-JIGSAW_POPULUS_TS2 costs 77.610 real_cost = 110.547 3D-JIGSAW_POPULUS_TS1-scwrl costs 81.580 real_cost = 130.182 3D-JIGSAW_POPULUS_TS1 costs 81.580 real_cost = 132.587 T0374.try9-opt2.repack-nonPC.pdb.gz costs 72.141 real_cost = 82.809 T0374.try9-opt2.pdb.gz costs 72.141 real_cost = 78.597 T0374.try9-opt2.gromacs0.repack-nonPC.pdb.gz costs 57.165 real_cost = 81.517 T0374.try9-opt2.gromacs0.pdb.gz costs 57.165 real_cost = 83.132 T0374.try9-opt1.pdb.gz costs 62.819 real_cost = 89.728 T0374.try9-opt1-scwrl.pdb.gz costs 62.819 real_cost = 89.559 T0374.try8-opt2.repack-nonPC.pdb.gz costs 74.009 real_cost = 22.085 T0374.try8-opt2.pdb.gz costs 74.009 real_cost = 28.406 T0374.try8-opt2.gromacs0.repack-nonPC.pdb.gz costs 45.957 real_cost = 24.933 T0374.try8-opt2.gromacs0.pdb.gz costs 45.957 real_cost = 26.109 T0374.try8-opt1.pdb.gz costs 64.528 real_cost = 24.750 T0374.try8-opt1-scwrl.pdb.gz costs 64.528 real_cost = 23.128 T0374.try7-opt2.repack-nonPC.pdb.gz costs 68.682 real_cost = 10.112 T0374.try7-opt2.pdb.gz costs 68.682 real_cost = 11.395 T0374.try7-opt2.gromacs0.repack-nonPC.pdb.gz costs 45.130 real_cost = 13.043 T0374.try7-opt2.gromacs0.pdb.gz costs 45.130 real_cost = 7.644 T0374.try7-opt1.pdb.gz costs 64.948 real_cost = 15.182 T0374.try7-opt1-scwrl.pdb.gz costs 64.948 real_cost = 14.366 T0374.try6-opt2.repack-nonPC.pdb.gz costs 62.314 real_cost = 14.360 T0374.try6-opt2.pdb.gz costs 62.314 real_cost = 14.461 T0374.try6-opt2.gromacs0.repack-nonPC.pdb.gz costs 40.842 real_cost = 11.717 T0374.try6-opt2.gromacs0.pdb.gz costs 40.842 real_cost = 13.854 T0374.try6-opt1.pdb.gz costs 58.398 real_cost = 14.914 T0374.try6-opt1-scwrl.pdb.gz costs 58.398 real_cost = 17.055 T0374.try5-opt2.repack-nonPC.pdb.gz costs 54.449 real_cost = -126.253 T0374.try5-opt2.pdb.gz costs 54.449 real_cost = -119.500 T0374.try5-opt2.gromacs0.repack-nonPC.pdb.gz costs 42.057 real_cost = -119.588 T0374.try5-opt2.gromacs0.pdb.gz costs 42.057 real_cost = -118.764 T0374.try5-opt1.pdb.gz costs 48.450 real_cost = -117.648 T0374.try5-opt1-scwrl.pdb.gz costs 48.450 real_cost = -119.328 T0374.try4-opt2.repack-nonPC.pdb.gz costs 53.323 real_cost = -110.607 T0374.try4-opt2.pdb.gz costs 53.323 real_cost = -108.504 T0374.try4-opt2.gromacs0.repack-nonPC.pdb.gz costs 41.496 real_cost = -110.470 T0374.try4-opt2.gromacs0.pdb.gz costs 41.496 real_cost = -108.843 T0374.try4-opt1.pdb.gz costs 51.300 real_cost = -111.598 T0374.try4-opt1-scwrl.pdb.gz costs 51.300 real_cost = -109.912 T0374.try3-opt2.repack-nonPC.pdb.gz costs 64.957 real_cost = 6.152 T0374.try3-opt2.pdb.gz costs 64.957 real_cost = 7.315 T0374.try3-opt2.gromacs0.repack-nonPC.pdb.gz costs 40.632 real_cost = 7.541 T0374.try3-opt2.gromacs0.pdb.gz costs 40.632 real_cost = 7.333 T0374.try3-opt1.pdb.gz costs 59.806 real_cost = 20.793 T0374.try3-opt1-scwrl.pdb.gz costs 59.806 real_cost = 18.508 T0374.try2-opt2.repack-nonPC.pdb.gz costs 56.249 real_cost = -112.609 T0374.try2-opt2.pdb.gz costs 56.249 real_cost = -110.638 T0374.try2-opt2.gromacs0.repack-nonPC.pdb.gz costs 39.693 real_cost = -111.326 T0374.try2-opt2.gromacs0.pdb.gz costs 39.693 real_cost = -111.819 T0374.try2-opt1.pdb.gz costs 48.541 real_cost = -114.849 T0374.try2-opt1-scwrl.pdb.gz costs 48.541 real_cost = -111.602 T0374.try15-opt2.repack-nonPC.pdb.gz costs 60.560 real_cost = -101.720 T0374.try15-opt2.pdb.gz costs 60.560 real_cost = -96.346 T0374.try15-opt2.gromacs0.repack-nonPC.pdb.gz costs 36.212 real_cost = -97.905 T0374.try15-opt2.gromacs0.pdb.gz costs 36.212 real_cost = -94.205 T0374.try15-opt1.pdb.gz costs 54.912 real_cost = -95.524 T0374.try15-opt1-scwrl.pdb.gz costs 54.912 real_cost = -99.272 T0374.try14-opt2.repack-nonPC.pdb.gz costs 57.687 real_cost = -110.523 T0374.try14-opt2.pdb.gz costs 57.687 real_cost = -110.648 T0374.try14-opt2.gromacs0.repack-nonPC.pdb.gz costs 39.700 real_cost = -110.101 T0374.try14-opt2.gromacs0.pdb.gz costs 39.700 real_cost = -111.961 T0374.try14-opt1.pdb.gz costs 56.840 real_cost = -109.805 T0374.try14-opt1-scwrl.pdb.gz costs 56.840 real_cost = -110.174 T0374.try13-opt2.repack-nonPC.pdb.gz costs 46.776 real_cost = -110.492 T0374.try13-opt2.pdb.gz costs 46.776 real_cost = -109.348 T0374.try13-opt2.gromacs0.repack-nonPC.pdb.gz costs 39.834 real_cost = -109.111 T0374.try13-opt2.gromacs0.pdb.gz costs 39.834 real_cost = -109.146 T0374.try13-opt1.pdb.gz costs 45.721 real_cost = -112.412 T0374.try13-opt1-scwrl.pdb.gz costs 45.721 real_cost = -108.643 T0374.try12-opt2.repack-nonPC.pdb.gz costs 48.697 real_cost = -87.685 T0374.try12-opt2.pdb.gz costs 48.697 real_cost = -91.926 T0374.try12-opt2.gromacs0.repack-nonPC.pdb.gz costs 37.832 real_cost = -92.136 T0374.try12-opt2.gromacs0.pdb.gz costs 37.832 real_cost = -91.358 T0374.try12-opt1.pdb.gz costs 45.770 real_cost = -91.016 T0374.try12-opt1-scwrl.pdb.gz costs 45.770 real_cost = -91.632 T0374.try11-opt2.repack-nonPC.pdb.gz costs 49.644 real_cost = -103.341 T0374.try11-opt2.pdb.gz costs 49.644 real_cost = -102.293 T0374.try11-opt2.gromacs0.repack-nonPC.pdb.gz costs 37.395 real_cost = -89.970 T0374.try11-opt2.gromacs0.pdb.gz costs 37.395 real_cost = -96.204 T0374.try11-opt1.pdb.gz costs 45.299 real_cost = -102.099 T0374.try11-opt1-scwrl.pdb.gz costs 45.299 real_cost = -103.681 T0374.try10-opt2.repack-nonPC.pdb.gz costs 57.082 real_cost = 49.291 T0374.try10-opt2.pdb.gz costs 57.082 real_cost = 58.291 T0374.try10-opt2.gromacs0.repack-nonPC.pdb.gz costs 46.199 real_cost = 48.680 T0374.try10-opt2.gromacs0.pdb.gz costs 46.199 real_cost = 58.652 T0374.try10-opt1.pdb.gz costs 54.373 real_cost = 56.897 T0374.try10-opt1-scwrl.pdb.gz costs 54.373 real_cost = 58.178 T0374.try1-opt2.repack-nonPC.pdb.gz costs 47.366 real_cost = -123.566 T0374.try1-opt2.pdb.gz costs 47.366 real_cost = -120.322 T0374.try1-opt2.gromacs0.repack-nonPC.pdb.gz costs 37.260 real_cost = -125.653 T0374.try1-opt2.gromacs0.pdb.gz costs 37.260 real_cost = -124.645 T0374.try1-opt1.pdb.gz costs 44.576 real_cost = -120.953 T0374.try1-opt1-scwrl.pdb.gz costs 44.576 real_cost = -119.387 ../model5.ts-submitted costs 40.632 real_cost = 7.520 ../model4.ts-submitted costs 62.769 real_cost = 15.167 ../model3.ts-submitted costs 39.834 real_cost = -109.069 ../model2.ts-submitted costs 61.103 real_cost = -96.368 ../model1.ts-submitted costs 57.687 real_cost = -110.687 align5 costs 60.068 real_cost = 0.612 align4 costs 68.559 real_cost = 65.908 align3 costs 52.375 real_cost = -30.037 align2 costs 61.583 real_cost = -40.403 align1 costs 61.444 real_cost = -1.754 T0374.try1-opt2.pdb costs 47.366 real_cost = -120.316 model5-scwrl costs 40.632 real_cost = 3.346 model5.ts-submitted costs 40.632 real_cost = 7.520 model4-scwrl costs 62.769 real_cost = 15.021 model4.ts-submitted costs 62.769 real_cost = 15.167 model3-scwrl costs 39.834 real_cost = -110.167 model3.ts-submitted costs 39.834 real_cost = -109.069 model2-scwrl costs 61.103 real_cost = -101.277 model2.ts-submitted costs 61.103 real_cost = -96.368 model1-scwrl costs 57.687 real_cost = -108.462 model1.ts-submitted costs 57.687 real_cost = -110.687 2i6cA costs 32.354 real_cost = -895.000 # command:CPU_time= 1058.403 sec, elapsed time= 1606.967 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/T0374'