make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0379' /projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0379.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/T0379.} ;\ 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/T0379/ -e s/START_COL/1/ \ -e s/COSTFCN/anglevector/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2i6xA/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1182826508 # 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= 9.347 sec, elapsed time= 9.478 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= 9.470 sec, elapsed time= 9.645 sec. # command:# Prefix for input files set to # command:# Making conformation for sequence T0379 numbered 1 through 208 Created new target T0379 from T0379.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2i6xA expands to /projects/compbio/data/pdb/2i6x.pdb.gz 2i6xA: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 115, because occupancy 0.5 <= existing 0.500 in 2i6xA Skipped atom 117, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 119, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 121, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 123, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 125, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 127, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 129, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 131, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 133, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 162, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 164, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 166, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 168, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 170, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 172, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 174, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 176, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 178, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 203, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 205, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 207, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 209, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 211, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 213, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 215, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 217, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 219, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 221, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 223, because occupancy 0.500 <= existing 0.500 in 2i6xA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 319, because occupancy 0.500 <= existing 0.500 in 2i6xA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 321, because occupancy 0.500 <= existing 0.500 in 2i6xA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 323, because occupancy 0.500 <= existing 0.500 in 2i6xA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 325, because occupancy 0.500 <= existing 0.500 in 2i6xA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 327, because occupancy 0.500 <= existing 0.500 in 2i6xA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 329, because occupancy 0.500 <= existing 0.500 in 2i6xA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 331, because occupancy 0.500 <= existing 0.500 in 2i6xA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 333, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 583, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 587, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 589, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 591, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 593, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 595, because occupancy 0.500 <= existing 0.500 in 2i6xA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 997, because occupancy 0.500 <= existing 0.500 in 2i6xA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 999, because occupancy 0.500 <= existing 0.500 in 2i6xA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1001, because occupancy 0.500 <= existing 0.500 in 2i6xA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1003, because occupancy 0.500 <= existing 0.500 in 2i6xA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1005, because occupancy 0.500 <= existing 0.500 in 2i6xA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1007, because occupancy 0.500 <= existing 0.500 in 2i6xA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1009, because occupancy 0.500 <= existing 0.500 in 2i6xA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1011, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 1100, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 1104, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 1106, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 1108, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 1110, because occupancy 0.500 <= existing 0.500 in 2i6xA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1500, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 1502, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 1504, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 1506, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 1508, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 1510, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 1512, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 1514, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 1516, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 1518, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 1520, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 1701, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 1705, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 1707, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 1709, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 1711, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 1713, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 1715, because occupancy 0.500 <= existing 0.500 in 2i6xA Skipped atom 1717, because occupancy 0.500 <= existing 0.500 in 2i6xA Read 205 residues and 1659 atoms. # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # command:# Saving current conformation as real # command:# Prefix for output files set to decoys/ # command:# SetRealCost created real_cost = # ( 50.000 * real_hbond + 50.000 * real_hbond_u + 50.000 * decoy_hbond + 50.000 * decoy_hbond_u + 10.000 * real_NO_hbond + 10.000 * real_NO_hbond_u + 10.000 * decoy_NO_hbond + 10.000 * decoy_NO_hbond_u + 10.000 * knot + 200.000 * clens + 0.000 * rmsd + 35.000 * log_rmsd + 0.000 * rmsd_ca + 30.000 * log_rmsd_ca + 1.000 * GDT + 1.000 * smooth_GDT + 0.200 * missing_atoms ) # command:# SetCost created cost = # ) # command:# reading script from file anglevector.costfcn # Prefix for input files set to /projects/compbio/lib/alphabet/ # Read 2 alphabets from anglevector.alphabet # Prefix for input files set to # CreateCombinedNNet created CombinedNNet bys_t2k # CreateCombinedNNet created CombinedNNet bys_t04 # CreateCombinedNNet created CombinedNNet bys_t06 # CreateCombinedNNet created CombinedNNet bys_mean # created predicted AngleVectorPredCostFcn pred_bys_t2k # created predicted AngleVectorPredCostFcn pred_bys_t04 # created predicted AngleVectorPredCostFcn pred_bys_t06 # created predicted AngleVectorPredCostFcn pred_bys_mean # CreateCombinedNNet created CombinedNNet pb_t2k # CreateCombinedNNet created CombinedNNet pb_t04 # CreateCombinedNNet created CombinedNNet pb_t06 # CreateCombinedNNet created CombinedNNet pb_mean # created predicted AngleVectorPredCostFcn pred_pb_t2k # created predicted AngleVectorPredCostFcn pred_pb_t04 # created predicted AngleVectorPredCostFcn pred_pb_t06 # created predicted AngleVectorPredCostFcn pred_pb_mean # SetCost created cost = # ( 5.000 * bystroff + 5.000 * pred_bys_t2k + 5.000 * pred_bys_t04 + 5.000 * pred_bys_t06 + 5.000 * pred_bys_mean + 5.000 * pred_pb_t2k + 5.000 * pred_pb_t04 + 5.000 * pred_pb_t06 + 5.000 * pred_pb_mean ) # command:CPU_time= 13.631 sec, elapsed time= 13.960 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 192 # 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 = -67.770 # GDT_score(maxd=8.000,maxw=2.900)= -69.285 # GDT_score(maxd=8.000,maxw=3.200)= -66.010 # GDT_score(maxd=8.000,maxw=3.500)= -62.635 # GDT_score(maxd=10.000,maxw=3.800)= -65.848 # GDT_score(maxd=10.000,maxw=4.000)= -63.565 # GDT_score(maxd=10.000,maxw=4.200)= -61.346 # GDT_score(maxd=12.000,maxw=4.300)= -65.353 # GDT_score(maxd=12.000,maxw=4.500)= -63.180 # GDT_score(maxd=12.000,maxw=4.700)= -61.080 # GDT_score(maxd=14.000,maxw=5.200)= -60.167 # GDT_score(maxd=14.000,maxw=5.500)= -57.531 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0379.model1-real.pdb for output Error: Couldn't open file T0379.model1-real.pdb for output superimposing iter= 0 total_weight= 2470.000 rmsd (weighted)= 4.336 (unweighted)= 11.794 superimposing iter= 1 total_weight= 6622.680 rmsd (weighted)= 1.919 (unweighted)= 11.920 superimposing iter= 2 total_weight= 3623.934 rmsd (weighted)= 1.243 (unweighted)= 11.978 superimposing iter= 3 total_weight= 2270.032 rmsd (weighted)= 1.049 (unweighted)= 12.001 superimposing iter= 4 total_weight= 1772.379 rmsd (weighted)= 1.006 (unweighted)= 12.014 superimposing iter= 5 total_weight= 1668.328 rmsd (weighted)= 0.996 (unweighted)= 12.022 EXPDTA model1.ts-submitted MODEL 1 REMARK 44 REMARK 44 model 1 is called model1.ts-submitted ATOM 1 N MET A 1 52.999 24.074 -13.913 1.00 0.00 ATOM 2 CA MET A 1 51.589 24.079 -13.427 1.00 0.00 ATOM 3 CB MET A 1 50.900 22.765 -13.794 1.00 0.00 ATOM 4 CG MET A 1 51.550 21.528 -13.193 1.00 0.00 ATOM 5 SD MET A 1 50.715 19.998 -13.670 1.00 0.00 ATOM 6 CE MET A 1 49.392 19.945 -12.468 1.00 0.00 ATOM 7 O MET A 1 52.572 24.212 -11.240 1.00 0.00 ATOM 8 C MET A 1 51.541 24.271 -11.913 1.00 0.00 ATOM 9 N ILE A 2 50.354 24.571 -11.392 1.00 0.00 ATOM 10 CA ILE A 2 50.186 24.774 -9.959 1.00 0.00 ATOM 11 CB ILE A 2 48.968 25.671 -9.657 1.00 0.00 ATOM 12 CG1 ILE A 2 49.063 26.969 -10.465 1.00 0.00 ATOM 13 CG2 ILE A 2 48.913 25.985 -8.171 1.00 0.00 ATOM 14 CD1 ILE A 2 50.293 27.799 -10.161 1.00 0.00 ATOM 15 O ILE A 2 48.897 22.867 -9.275 1.00 0.00 ATOM 16 C ILE A 2 49.991 23.437 -9.253 1.00 0.00 ATOM 17 N ARG A 3 51.045 22.938 -8.633 1.00 0.00 ATOM 18 CA ARG A 3 50.985 21.670 -7.924 1.00 0.00 ATOM 19 CB ARG A 3 52.217 20.825 -8.252 1.00 0.00 ATOM 20 CG ARG A 3 52.270 20.338 -9.693 1.00 0.00 ATOM 21 CD ARG A 3 53.522 19.513 -9.948 1.00 0.00 ATOM 22 NE ARG A 3 53.543 18.960 -11.303 1.00 0.00 ATOM 23 CZ ARG A 3 54.582 18.318 -11.832 1.00 0.00 ATOM 24 NH1 ARG A 3 54.509 17.853 -13.071 1.00 0.00 ATOM 25 NH2 ARG A 3 55.685 18.146 -11.118 1.00 0.00 ATOM 26 O ARG A 3 51.760 22.773 -5.899 1.00 0.00 ATOM 27 C ARG A 3 51.110 21.829 -6.392 1.00 0.00 ATOM 28 N ASN A 4 50.500 20.870 -5.702 1.00 0.00 ATOM 29 CA ASN A 4 50.630 20.801 -4.242 1.00 0.00 ATOM 30 CB ASN A 4 49.177 20.813 -3.684 1.00 0.00 ATOM 31 CG ASN A 4 49.115 20.781 -2.188 1.00 0.00 ATOM 32 ND2 ASN A 4 48.708 19.647 -1.633 1.00 0.00 ATOM 33 OD1 ASN A 4 49.447 21.753 -1.536 1.00 0.00 ATOM 34 O ASN A 4 51.350 18.521 -4.052 1.00 0.00 ATOM 35 C ASN A 4 51.608 19.706 -3.846 1.00 0.00 ATOM 36 N ILE A 5 52.691 20.112 -3.191 1.00 0.00 ATOM 37 CA ILE A 5 53.708 19.176 -2.748 1.00 0.00 ATOM 38 CB ILE A 5 55.123 19.668 -3.104 1.00 0.00 ATOM 39 CG1 ILE A 5 55.235 19.925 -4.609 1.00 0.00 ATOM 40 CG2 ILE A 5 56.162 18.630 -2.714 1.00 0.00 ATOM 41 CD1 ILE A 5 54.972 18.701 -5.459 1.00 0.00 ATOM 42 O ILE A 5 53.900 19.924 -0.476 1.00 0.00 ATOM 43 C ILE A 5 53.695 18.977 -1.237 1.00 0.00 ATOM 44 N VAL A 6 53.429 17.737 -0.810 1.00 0.00 ATOM 45 CA VAL A 6 53.394 17.403 0.610 1.00 0.00 ATOM 46 CB VAL A 6 52.137 16.592 0.985 1.00 0.00 ATOM 47 CG1 VAL A 6 52.217 16.183 2.446 1.00 0.00 ATOM 48 CG2 VAL A 6 50.889 17.423 0.747 1.00 0.00 ATOM 49 O VAL A 6 54.844 15.492 0.468 1.00 0.00 ATOM 50 C VAL A 6 54.635 16.598 0.973 1.00 0.00 ATOM 51 N PHE A 7 55.418 17.102 1.913 1.00 0.00 ATOM 52 CA PHE A 7 56.633 16.420 2.342 1.00 0.00 ATOM 53 CB PHE A 7 57.781 17.417 2.508 1.00 0.00 ATOM 54 CG PHE A 7 58.240 18.035 1.219 1.00 0.00 ATOM 55 CD1 PHE A 7 57.760 19.267 0.814 1.00 0.00 ATOM 56 CD2 PHE A 7 59.154 17.380 0.408 1.00 0.00 ATOM 57 CE1 PHE A 7 58.183 19.833 -0.373 1.00 0.00 ATOM 58 CE2 PHE A 7 59.576 17.950 -0.778 1.00 0.00 ATOM 59 CZ PHE A 7 59.094 19.169 -1.170 1.00 0.00 ATOM 60 O PHE A 7 55.984 16.211 4.650 1.00 0.00 ATOM 61 C PHE A 7 56.619 15.733 3.705 1.00 0.00 ATOM 62 N ASP A 8 57.343 14.601 3.773 1.00 0.00 ATOM 63 CA ASP A 8 57.461 13.817 5.003 1.00 0.00 ATOM 64 CB ASP A 8 57.317 12.302 4.605 1.00 0.00 ATOM 65 CG ASP A 8 57.367 11.332 5.795 1.00 0.00 ATOM 66 OD1 ASP A 8 56.851 11.652 6.899 1.00 0.00 ATOM 67 OD2 ASP A 8 57.918 10.214 5.604 1.00 0.00 ATOM 68 O ASP A 8 59.661 14.695 5.337 1.00 0.00 ATOM 69 C ASP A 8 58.557 14.440 5.837 1.00 0.00 ATOM 70 N LEU A 9 58.285 14.747 7.117 1.00 0.00 ATOM 71 CA LEU A 9 59.264 15.405 7.962 1.00 0.00 ATOM 72 CB LEU A 9 58.754 16.041 9.257 1.00 0.00 ATOM 73 CG LEU A 9 59.792 16.779 10.103 1.00 0.00 ATOM 74 CD1 LEU A 9 60.326 17.992 9.359 1.00 0.00 ATOM 75 CD2 LEU A 9 59.179 17.256 11.411 1.00 0.00 ATOM 76 O LEU A 9 61.527 14.586 7.900 1.00 0.00 ATOM 77 C LEU A 9 60.385 14.436 8.350 1.00 0.00 ATOM 78 N GLY A 10 60.070 13.488 9.225 1.00 0.00 ATOM 79 CA GLY A 10 61.064 12.550 9.755 1.00 0.00 ATOM 80 O GLY A 10 60.892 10.948 7.993 1.00 0.00 ATOM 81 C GLY A 10 61.610 11.624 8.701 1.00 0.00 ATOM 82 N GLY A 11 63.002 11.582 8.565 1.00 0.00 ATOM 83 CA GLY A 11 63.673 10.701 7.576 1.00 0.00 ATOM 84 O GLY A 11 64.143 10.535 5.264 1.00 0.00 ATOM 85 C GLY A 11 63.625 11.200 6.133 1.00 0.00 ATOM 86 N VAL A 12 62.898 12.348 5.903 1.00 0.00 ATOM 87 CA VAL A 12 62.739 12.907 4.575 1.00 0.00 ATOM 88 CB VAL A 12 61.238 12.769 4.138 1.00 0.00 ATOM 89 CG1 VAL A 12 60.991 13.443 2.815 1.00 0.00 ATOM 90 CG2 VAL A 12 60.877 11.309 4.042 1.00 0.00 ATOM 91 O VAL A 12 64.038 14.636 3.545 1.00 0.00 ATOM 92 C VAL A 12 63.280 14.320 4.479 1.00 0.00 ATOM 93 N LEU A 13 62.891 15.271 5.360 1.00 0.00 ATOM 94 CA LEU A 13 63.463 16.589 5.445 1.00 0.00 ATOM 95 CB LEU A 13 62.469 17.576 5.945 1.00 0.00 ATOM 96 CG LEU A 13 61.417 17.943 4.896 1.00 0.00 ATOM 97 CD1 LEU A 13 60.279 18.712 5.549 1.00 0.00 ATOM 98 CD2 LEU A 13 62.005 18.749 3.760 1.00 0.00 ATOM 99 O LEU A 13 65.627 17.288 6.300 1.00 0.00 ATOM 100 C LEU A 13 64.581 16.697 6.523 1.00 0.00 ATOM 101 N ILE A 14 64.213 16.025 7.699 1.00 0.00 ATOM 102 CA ILE A 14 65.119 15.977 8.816 1.00 0.00 ATOM 103 CB ILE A 14 65.258 16.894 9.764 1.00 0.00 ATOM 104 CG1 ILE A 14 66.152 18.020 9.268 1.00 0.00 ATOM 105 CG2 ILE A 14 65.847 16.243 11.016 1.00 0.00 ATOM 106 CD1 ILE A 14 66.123 19.283 10.098 1.00 0.00 ATOM 107 O ILE A 14 64.588 13.722 9.431 1.00 0.00 ATOM 108 C ILE A 14 65.471 14.548 9.181 1.00 0.00 ATOM 109 N HIS A 15 66.780 14.276 9.224 1.00 0.00 ATOM 110 CA HIS A 15 67.267 12.944 9.512 1.00 0.00 ATOM 111 CB HIS A 15 68.662 12.750 8.877 1.00 0.00 ATOM 112 CG HIS A 15 69.483 11.651 9.493 1.00 0.00 ATOM 113 CD2 HIS A 15 69.559 10.326 9.211 1.00 0.00 ATOM 114 ND1 HIS A 15 70.350 11.871 10.545 1.00 0.00 ATOM 115 CE1 HIS A 15 70.932 10.731 10.878 1.00 0.00 ATOM 116 NE2 HIS A 15 70.471 9.779 10.085 1.00 0.00 ATOM 117 O HIS A 15 67.815 13.579 11.783 1.00 0.00 ATOM 118 C HIS A 15 67.160 12.820 11.044 1.00 0.00 ATOM 119 N LEU A 16 66.302 11.919 11.504 1.00 0.00 ATOM 120 CA LEU A 16 65.998 11.749 12.918 1.00 0.00 ATOM 121 CB LEU A 16 64.487 11.790 13.062 1.00 0.00 ATOM 122 CG LEU A 16 63.922 11.589 14.467 1.00 0.00 ATOM 123 CD1 LEU A 16 64.350 12.755 15.377 1.00 0.00 ATOM 124 CD2 LEU A 16 62.411 11.511 14.390 1.00 0.00 ATOM 125 O LEU A 16 66.231 9.368 12.809 1.00 0.00 ATOM 126 C LEU A 16 66.403 10.388 13.478 1.00 0.00 ATOM 127 N ASN A 17 66.980 10.376 14.672 1.00 0.00 ATOM 128 CA ASN A 17 67.466 9.141 15.266 1.00 0.00 ATOM 129 CB ASN A 17 68.976 8.998 15.065 1.00 0.00 ATOM 130 CG ASN A 17 69.503 7.655 15.540 1.00 0.00 ATOM 131 ND2 ASN A 17 70.687 7.289 15.066 1.00 0.00 ATOM 132 OD1 ASN A 17 68.851 6.965 16.322 1.00 0.00 ATOM 133 O ASN A 17 67.769 9.876 17.556 1.00 0.00 ATOM 134 C ASN A 17 67.165 9.119 16.769 1.00 0.00 ATOM 135 N ARG A 18 66.231 8.252 17.154 1.00 0.00 ATOM 136 CA ARG A 18 65.864 8.074 18.565 1.00 0.00 ATOM 137 CB ARG A 18 64.333 7.705 18.583 1.00 0.00 ATOM 138 CG ARG A 18 63.518 8.847 17.982 1.00 0.00 ATOM 139 CD ARG A 18 62.040 8.562 17.902 1.00 0.00 ATOM 140 NE ARG A 18 61.370 9.641 17.177 1.00 0.00 ATOM 141 CZ ARG A 18 60.084 9.655 16.840 1.00 0.00 ATOM 142 NH1 ARG A 18 59.296 8.635 17.158 1.00 0.00 ATOM 143 NH2 ARG A 18 59.594 10.694 16.177 1.00 0.00 ATOM 144 O ARG A 18 66.683 7.129 20.588 1.00 0.00 ATOM 145 C ARG A 18 66.848 7.257 19.384 1.00 0.00 ATOM 146 N GLU A 19 67.898 6.733 18.755 1.00 0.00 ATOM 147 CA GLU A 19 68.923 6.019 19.526 1.00 0.00 ATOM 148 CB GLU A 19 69.993 5.449 18.589 1.00 0.00 ATOM 149 CG GLU A 19 69.525 4.263 17.761 1.00 0.00 ATOM 150 CD GLU A 19 70.578 3.789 16.778 1.00 0.00 ATOM 151 OE1 GLU A 19 71.648 4.425 16.698 1.00 0.00 ATOM 152 OE2 GLU A 19 70.331 2.773 16.093 1.00 0.00 ATOM 153 O GLU A 19 69.988 6.517 21.613 1.00 0.00 ATOM 154 C GLU A 19 69.576 6.948 20.539 1.00 0.00 ATOM 155 N GLU A 20 69.653 8.244 20.184 1.00 0.00 ATOM 156 CA GLU A 20 70.232 9.242 21.074 1.00 0.00 ATOM 157 CB GLU A 20 70.365 10.597 20.449 1.00 0.00 ATOM 158 CG GLU A 20 71.376 10.641 19.280 1.00 0.00 ATOM 159 CD GLU A 20 72.820 10.267 19.666 1.00 0.00 ATOM 160 OE1 GLU A 20 73.140 10.117 20.870 1.00 0.00 ATOM 161 OE2 GLU A 20 73.665 10.134 18.744 1.00 0.00 ATOM 162 O GLU A 20 69.894 9.516 23.441 1.00 0.00 ATOM 163 C GLU A 20 69.372 9.368 22.332 1.00 0.00 ATOM 164 N SER A 21 68.026 9.303 22.189 1.00 0.00 ATOM 165 CA SER A 21 67.102 9.385 23.322 1.00 0.00 ATOM 166 CB SER A 21 65.648 9.414 22.816 1.00 0.00 ATOM 167 OG SER A 21 65.356 10.584 22.078 1.00 0.00 ATOM 168 O SER A 21 67.400 8.352 25.455 1.00 0.00 ATOM 169 C SER A 21 67.337 8.198 24.236 1.00 0.00 ATOM 170 N ILE A 22 67.459 6.998 23.655 1.00 0.00 ATOM 171 CA ILE A 22 67.688 5.785 24.427 1.00 0.00 ATOM 172 CB ILE A 22 67.438 4.561 23.508 1.00 0.00 ATOM 173 CG1 ILE A 22 65.970 4.506 23.104 1.00 0.00 ATOM 174 CG2 ILE A 22 67.953 3.308 24.184 1.00 0.00 ATOM 175 CD1 ILE A 22 65.769 3.508 21.967 1.00 0.00 ATOM 176 O ILE A 22 69.219 5.393 26.228 1.00 0.00 ATOM 177 C ILE A 22 69.062 5.839 25.090 1.00 0.00 ATOM 178 N ARG A 23 70.071 6.405 24.399 1.00 0.00 ATOM 179 CA ARG A 23 71.405 6.532 24.978 1.00 0.00 ATOM 180 CB ARG A 23 72.336 7.208 23.972 1.00 0.00 ATOM 181 CG ARG A 23 72.763 6.311 22.821 1.00 0.00 ATOM 182 CD ARG A 23 73.647 7.059 21.835 1.00 0.00 ATOM 183 NE ARG A 23 74.026 6.225 20.696 1.00 0.00 ATOM 184 CZ ARG A 23 74.748 6.649 19.668 1.00 0.00 ATOM 185 NH1 ARG A 23 75.045 5.819 18.675 1.00 0.00 ATOM 186 NH2 ARG A 23 75.173 7.906 19.629 1.00 0.00 ATOM 187 O ARG A 23 71.952 7.135 27.279 1.00 0.00 ATOM 188 C ARG A 23 71.343 7.436 26.241 1.00 0.00 ATOM 189 N ARG A 24 70.584 8.546 26.149 1.00 0.00 ATOM 190 CA ARG A 24 70.446 9.458 27.279 1.00 0.00 ATOM 191 CB ARG A 24 69.578 10.638 26.899 1.00 0.00 ATOM 192 CG ARG A 24 69.393 11.675 28.009 1.00 0.00 ATOM 193 CD ARG A 24 70.696 12.204 28.629 1.00 0.00 ATOM 194 NE ARG A 24 70.431 13.272 29.591 1.00 0.00 ATOM 195 CZ ARG A 24 71.227 13.577 30.615 1.00 0.00 ATOM 196 NH1 ARG A 24 72.357 12.915 30.820 1.00 0.00 ATOM 197 NH2 ARG A 24 70.884 14.562 31.437 1.00 0.00 ATOM 198 O ARG A 24 70.259 8.834 29.622 1.00 0.00 ATOM 199 C ARG A 24 69.777 8.758 28.475 1.00 0.00 ATOM 200 N PHE A 25 68.669 8.030 28.190 1.00 0.00 ATOM 201 CA PHE A 25 67.970 7.265 29.233 1.00 0.00 ATOM 202 CB PHE A 25 66.754 6.551 28.670 1.00 0.00 ATOM 203 CG PHE A 25 65.563 7.449 28.433 1.00 0.00 ATOM 204 CD1 PHE A 25 64.485 6.976 27.693 1.00 0.00 ATOM 205 CD2 PHE A 25 65.506 8.758 28.959 1.00 0.00 ATOM 206 CE1 PHE A 25 63.354 7.774 27.482 1.00 0.00 ATOM 207 CE2 PHE A 25 64.391 9.557 28.733 1.00 0.00 ATOM 208 CZ PHE A 25 63.321 9.062 28.005 1.00 0.00 ATOM 209 O PHE A 25 68.930 6.028 31.065 1.00 0.00 ATOM 210 C PHE A 25 68.888 6.204 29.844 1.00 0.00 ATOM 211 N LYS A 26 69.658 5.529 28.984 1.00 0.00 ATOM 212 CA LYS A 26 70.561 4.477 29.435 1.00 0.00 ATOM 213 CB LYS A 26 71.695 4.341 28.229 1.00 0.00 ATOM 214 CG LYS A 26 72.689 3.188 28.313 1.00 0.00 ATOM 215 CD LYS A 26 73.943 3.468 27.511 1.00 0.00 ATOM 216 CE LYS A 26 74.999 2.390 27.736 1.00 0.00 ATOM 217 NZ LYS A 26 75.470 2.306 29.157 1.00 0.00 ATOM 218 O LYS A 26 71.894 4.514 31.424 1.00 0.00 ATOM 219 C LYS A 26 71.615 5.062 30.361 1.00 0.00 ATOM 220 N ALA A 27 72.176 6.199 29.967 1.00 0.00 ATOM 221 CA ALA A 27 73.214 6.835 30.761 1.00 0.00 ATOM 222 CB ALA A 27 73.733 8.066 30.118 1.00 0.00 ATOM 223 O ALA A 27 73.423 7.048 33.144 1.00 0.00 ATOM 224 C ALA A 27 72.713 7.229 32.151 1.00 0.00 ATOM 225 N ILE A 28 71.496 7.759 32.215 1.00 0.00 ATOM 226 CA ILE A 28 70.902 8.177 33.479 1.00 0.00 ATOM 227 CB ILE A 28 69.605 8.977 33.258 1.00 0.00 ATOM 228 CG1 ILE A 28 69.915 10.316 32.582 1.00 0.00 ATOM 229 CG2 ILE A 28 68.913 9.254 34.582 1.00 0.00 ATOM 230 CD1 ILE A 28 68.687 11.047 32.085 1.00 0.00 ATOM 231 O ILE A 28 70.982 6.908 35.531 1.00 0.00 ATOM 232 C ILE A 28 70.554 6.969 34.377 1.00 0.00 ATOM 233 N GLY A 29 69.789 6.021 33.844 1.00 0.00 ATOM 234 CA GLY A 29 69.264 4.906 34.635 1.00 0.00 ATOM 235 O GLY A 29 69.923 2.735 35.470 1.00 0.00 ATOM 236 C GLY A 29 70.235 3.727 34.782 1.00 0.00 ATOM 237 N VAL A 30 71.431 3.998 34.014 1.00 0.00 ATOM 238 CA VAL A 30 72.477 2.967 33.888 1.00 0.00 ATOM 239 CB VAL A 30 73.144 3.236 35.541 1.00 0.00 ATOM 240 CG1 VAL A 30 72.921 4.633 36.098 1.00 0.00 ATOM 241 CG2 VAL A 30 72.276 2.228 36.290 1.00 0.00 ATOM 242 O VAL A 30 72.873 0.781 32.982 1.00 0.00 ATOM 243 C VAL A 30 72.049 1.668 33.204 1.00 0.00 ATOM 244 N ALA A 31 70.781 1.575 32.818 1.00 0.00 ATOM 245 CA ALA A 31 70.291 0.437 32.043 1.00 0.00 ATOM 246 CB ALA A 31 68.780 0.516 31.894 1.00 0.00 ATOM 247 O ALA A 31 71.235 1.535 30.135 1.00 0.00 ATOM 248 C ALA A 31 71.059 0.472 30.728 1.00 0.00 ATOM 249 N ASP A 32 71.584 -0.672 30.259 1.00 0.00 ATOM 250 CA ASP A 32 72.333 -0.731 29.012 1.00 0.00 ATOM 251 CB ASP A 32 72.810 -2.152 28.701 1.00 0.00 ATOM 252 CG ASP A 32 73.951 -2.593 29.594 1.00 0.00 ATOM 253 OD1 ASP A 32 74.504 -1.737 30.317 1.00 0.00 ATOM 254 OD2 ASP A 32 74.295 -3.793 29.572 1.00 0.00 ATOM 255 O ASP A 32 70.314 -0.396 27.780 1.00 0.00 ATOM 256 C ASP A 32 71.526 -0.261 27.810 1.00 0.00 ATOM 257 N ILE A 33 72.184 0.337 26.737 1.00 0.00 ATOM 258 CA ILE A 33 71.447 0.803 25.584 1.00 0.00 ATOM 259 CB ILE A 33 72.389 1.573 24.617 1.00 0.00 ATOM 260 CG1 ILE A 33 71.562 2.226 23.512 1.00 0.00 ATOM 261 CG2 ILE A 33 73.447 0.624 24.050 1.00 0.00 ATOM 262 CD1 ILE A 33 72.365 3.121 22.594 1.00 0.00 ATOM 263 O ILE A 33 69.645 -0.090 24.283 1.00 0.00 ATOM 264 C ILE A 33 70.750 -0.295 24.766 1.00 0.00 ATOM 265 N GLU A 34 71.370 -1.476 24.655 1.00 0.00 ATOM 266 CA GLU A 34 70.769 -2.596 23.945 1.00 0.00 ATOM 267 CB GLU A 34 71.720 -3.794 23.931 1.00 0.00 ATOM 268 CG GLU A 34 72.957 -3.593 23.069 1.00 0.00 ATOM 269 CD GLU A 34 73.934 -4.748 23.177 1.00 0.00 ATOM 270 OE1 GLU A 34 73.677 -5.672 23.980 1.00 0.00 ATOM 271 OE2 GLU A 34 74.953 -4.733 22.457 1.00 0.00 ATOM 272 O GLU A 34 68.497 -3.347 23.837 1.00 0.00 ATOM 273 C GLU A 34 69.441 -3.045 24.559 1.00 0.00 ATOM 274 N GLU A 35 69.382 -3.094 25.883 1.00 0.00 ATOM 275 CA GLU A 35 68.153 -3.490 26.575 1.00 0.00 ATOM 276 CB GLU A 35 68.411 -3.606 28.076 1.00 0.00 ATOM 277 CG GLU A 35 69.556 -4.536 28.451 1.00 0.00 ATOM 278 CD GLU A 35 69.798 -4.590 29.951 1.00 0.00 ATOM 279 OE1 GLU A 35 70.044 -3.524 30.555 1.00 0.00 ATOM 280 OE2 GLU A 35 69.749 -5.699 30.523 1.00 0.00 ATOM 281 O GLU A 35 66.012 -2.882 25.680 1.00 0.00 ATOM 282 C GLU A 35 67.077 -2.486 26.169 1.00 0.00 ATOM 283 N MET A 36 67.375 -1.196 26.310 1.00 0.00 ATOM 284 CA MET A 36 66.424 -0.163 25.919 1.00 0.00 ATOM 285 CB MET A 36 67.041 1.221 26.209 1.00 0.00 ATOM 286 CG MET A 36 67.193 1.552 27.644 1.00 0.00 ATOM 287 SD MET A 36 65.650 1.375 28.598 1.00 0.00 ATOM 288 CE MET A 36 64.797 2.469 27.943 1.00 0.00 ATOM 289 O MET A 36 64.786 -0.076 24.165 1.00 0.00 ATOM 290 C MET A 36 65.967 -0.265 24.462 1.00 0.00 ATOM 291 N LEU A 37 66.880 -0.576 23.554 1.00 0.00 ATOM 292 CA LEU A 37 66.511 -0.722 22.145 1.00 0.00 ATOM 293 CB LEU A 37 67.759 -0.892 21.289 1.00 0.00 ATOM 294 CG LEU A 37 68.555 0.406 21.132 1.00 0.00 ATOM 295 CD1 LEU A 37 69.890 0.133 20.464 1.00 0.00 ATOM 296 CD2 LEU A 37 67.744 1.404 20.315 1.00 0.00 ATOM 297 O LEU A 37 64.631 -1.825 21.159 1.00 0.00 ATOM 298 C LEU A 37 65.570 -1.907 21.944 1.00 0.00 ATOM 299 N ASP A 38 65.815 -2.992 22.681 1.00 0.00 ATOM 300 CA ASP A 38 64.975 -4.194 22.605 1.00 0.00 ATOM 301 CB ASP A 38 65.530 -5.296 23.509 1.00 0.00 ATOM 302 CG ASP A 38 66.785 -5.933 22.948 1.00 0.00 ATOM 303 OD1 ASP A 38 67.092 -5.696 21.764 1.00 0.00 ATOM 304 OD2 ASP A 38 67.461 -6.669 23.697 1.00 0.00 ATOM 305 O ASP A 38 62.598 -4.301 22.332 1.00 0.00 ATOM 306 C ASP A 38 63.532 -3.872 23.003 1.00 0.00 ATOM 307 N PRO A 39 63.349 -3.105 24.080 1.00 0.00 ATOM 308 CA PRO A 39 62.014 -2.799 24.598 1.00 0.00 ATOM 309 CB PRO A 39 62.025 -2.961 26.081 1.00 0.00 ATOM 310 CG PRO A 39 63.452 -3.059 26.452 1.00 0.00 ATOM 311 CD PRO A 39 64.235 -3.422 25.205 1.00 0.00 ATOM 312 O PRO A 39 60.211 -1.218 24.328 1.00 0.00 ATOM 313 C PRO A 39 61.351 -1.551 23.991 1.00 0.00 ATOM 314 N TYR A 40 61.979 -0.861 23.149 1.00 0.00 ATOM 315 CA TYR A 40 61.488 0.387 22.557 1.00 0.00 ATOM 316 CB TYR A 40 62.646 1.267 22.075 1.00 0.00 ATOM 317 CG TYR A 40 62.229 2.667 21.688 1.00 0.00 ATOM 318 CD1 TYR A 40 61.969 3.627 22.657 1.00 0.00 ATOM 319 CD2 TYR A 40 62.100 3.028 20.351 1.00 0.00 ATOM 320 CE1 TYR A 40 61.590 4.909 22.313 1.00 0.00 ATOM 321 CE2 TYR A 40 61.721 4.305 19.988 1.00 0.00 ATOM 322 CZ TYR A 40 61.464 5.248 20.983 1.00 0.00 ATOM 323 OH TYR A 40 61.087 6.524 20.637 1.00 0.00 ATOM 324 O TYR A 40 61.058 -0.059 20.243 1.00 0.00 ATOM 325 C TYR A 40 60.591 0.041 21.372 1.00 0.00 ATOM 326 N LEU A 41 59.301 -0.144 21.634 1.00 0.00 ATOM 327 CA LEU A 41 58.361 -0.567 20.582 1.00 0.00 ATOM 328 CB LEU A 41 57.575 -1.805 21.013 1.00 0.00 ATOM 329 CG LEU A 41 58.398 -3.056 21.326 1.00 0.00 ATOM 330 CD1 LEU A 41 57.503 -4.181 21.823 1.00 0.00 ATOM 331 CD2 LEU A 41 59.127 -3.543 20.083 1.00 0.00 ATOM 332 O LEU A 41 56.868 1.173 21.203 1.00 0.00 ATOM 333 C LEU A 41 57.362 0.516 20.283 1.00 0.00 ATOM 334 N GLN A 42 57.053 0.686 19.002 1.00 0.00 ATOM 335 CA GLN A 42 55.945 1.534 18.584 1.00 0.00 ATOM 336 CB GLN A 42 56.088 1.913 17.106 1.00 0.00 ATOM 337 CG GLN A 42 55.018 2.863 16.602 1.00 0.00 ATOM 338 CD GLN A 42 55.176 3.194 15.131 1.00 0.00 ATOM 339 OE1 GLN A 42 56.189 2.860 14.516 1.00 0.00 ATOM 340 NE2 GLN A 42 54.174 3.856 14.562 1.00 0.00 ATOM 341 O GLN A 42 54.320 -0.160 18.109 1.00 0.00 ATOM 342 C GLN A 42 54.622 0.806 18.807 1.00 0.00 ATOM 343 N LYS A 43 53.855 1.182 19.768 1.00 0.00 ATOM 344 CA LYS A 43 52.584 0.531 20.062 1.00 0.00 ATOM 345 CB LYS A 43 52.543 -0.563 21.031 1.00 0.00 ATOM 346 CG LYS A 43 53.394 -1.724 20.540 1.00 0.00 ATOM 347 CD LYS A 43 53.243 -2.936 21.449 1.00 0.00 ATOM 348 CE LYS A 43 54.252 -4.011 21.059 1.00 0.00 ATOM 349 NZ LYS A 43 53.828 -5.345 21.569 1.00 0.00 ATOM 350 O LYS A 43 51.329 2.488 19.432 1.00 0.00 ATOM 351 C LYS A 43 51.457 1.529 20.220 1.00 0.00 ATOM 352 N GLY A 44 50.529 1.270 21.222 1.00 0.00 ATOM 353 CA GLY A 44 49.353 2.104 21.370 1.00 0.00 ATOM 354 O GLY A 44 49.004 4.433 21.523 1.00 0.00 ATOM 355 C GLY A 44 49.636 3.478 21.933 1.00 0.00 ATOM 356 N LEU A 45 50.576 3.573 22.872 1.00 0.00 ATOM 357 CA LEU A 45 50.895 4.875 23.458 1.00 0.00 ATOM 358 CB LEU A 45 52.406 4.518 24.105 1.00 0.00 ATOM 359 CG LEU A 45 52.799 3.063 24.358 1.00 0.00 ATOM 360 CD1 LEU A 45 54.307 2.964 24.476 1.00 0.00 ATOM 361 CD2 LEU A 45 52.200 2.510 25.549 1.00 0.00 ATOM 362 O LEU A 45 50.960 6.978 22.287 1.00 0.00 ATOM 363 C LEU A 45 51.376 5.828 22.368 1.00 0.00 ATOM 364 N PHE A 46 52.286 5.343 21.494 1.00 0.00 ATOM 365 CA PHE A 46 52.781 6.142 20.384 1.00 0.00 ATOM 366 CB PHE A 46 53.700 5.360 19.464 1.00 0.00 ATOM 367 CG PHE A 46 55.107 5.248 20.005 1.00 0.00 ATOM 368 CD1 PHE A 46 55.445 4.289 20.970 1.00 0.00 ATOM 369 CD2 PHE A 46 56.083 6.164 19.573 1.00 0.00 ATOM 370 CE1 PHE A 46 56.756 4.247 21.517 1.00 0.00 ATOM 371 CE2 PHE A 46 57.371 6.136 20.094 1.00 0.00 ATOM 372 CZ PHE A 46 57.716 5.156 21.092 1.00 0.00 ATOM 373 O PHE A 46 51.603 7.779 19.074 1.00 0.00 ATOM 374 C PHE A 46 51.673 6.600 19.449 1.00 0.00 ATOM 375 N LEU A 47 50.754 5.684 19.081 1.00 0.00 ATOM 376 CA LEU A 47 49.641 6.054 18.202 1.00 0.00 ATOM 377 CB LEU A 47 48.769 4.864 17.846 1.00 0.00 ATOM 378 CG LEU A 47 49.557 3.784 17.094 1.00 0.00 ATOM 379 CD1 LEU A 47 48.614 2.582 16.895 1.00 0.00 ATOM 380 CD2 LEU A 47 49.996 4.265 15.705 1.00 0.00 ATOM 381 O LEU A 47 48.358 8.076 18.232 1.00 0.00 ATOM 382 C LEU A 47 48.754 7.098 18.866 1.00 0.00 ATOM 383 N ASP A 48 48.454 6.916 20.139 1.00 0.00 ATOM 384 CA ASP A 48 47.616 7.870 20.852 1.00 0.00 ATOM 385 CB ASP A 48 47.284 7.344 22.252 1.00 0.00 ATOM 386 CG ASP A 48 46.300 6.192 22.224 1.00 0.00 ATOM 387 OD1 ASP A 48 45.686 5.962 21.162 1.00 0.00 ATOM 388 OD2 ASP A 48 46.140 5.522 23.264 1.00 0.00 ATOM 389 O ASP A 48 47.670 10.265 20.740 1.00 0.00 ATOM 390 C ASP A 48 48.290 9.227 20.991 1.00 0.00 ATOM 391 N LEU A 49 49.539 9.228 21.400 1.00 0.00 ATOM 392 CA LEU A 49 50.282 10.469 21.569 1.00 0.00 ATOM 393 CB LEU A 49 51.723 10.238 21.964 1.00 0.00 ATOM 394 CG LEU A 49 52.677 11.413 21.900 1.00 0.00 ATOM 395 CD1 LEU A 49 52.246 12.469 22.889 1.00 0.00 ATOM 396 CD2 LEU A 49 54.092 10.974 22.203 1.00 0.00 ATOM 397 O LEU A 49 50.170 12.446 20.211 1.00 0.00 ATOM 398 C LEU A 49 50.355 11.232 20.240 1.00 0.00 ATOM 399 N GLU A 50 50.570 10.501 19.138 1.00 0.00 ATOM 400 CA GLU A 50 50.652 11.140 17.811 1.00 0.00 ATOM 401 CB GLU A 50 51.012 10.092 16.766 1.00 0.00 ATOM 402 CG GLU A 50 52.465 9.697 16.709 1.00 0.00 ATOM 403 CD GLU A 50 52.727 8.370 16.005 1.00 0.00 ATOM 404 OE1 GLU A 50 51.801 7.697 15.456 1.00 0.00 ATOM 405 OE2 GLU A 50 53.944 8.019 16.086 1.00 0.00 ATOM 406 O GLU A 50 49.337 12.837 16.747 1.00 0.00 ATOM 407 C GLU A 50 49.333 11.815 17.417 1.00 0.00 ATOM 408 N SER A 51 48.217 11.240 17.834 1.00 0.00 ATOM 409 CA SER A 51 46.910 11.815 17.506 1.00 0.00 ATOM 410 CB SER A 51 45.846 10.720 17.426 1.00 0.00 ATOM 411 OG SER A 51 45.641 10.109 18.687 1.00 0.00 ATOM 412 O SER A 51 45.451 13.505 18.372 1.00 0.00 ATOM 413 C SER A 51 46.471 12.860 18.543 1.00 0.00 ATOM 414 N GLY A 52 47.251 13.034 19.606 1.00 0.00 ATOM 415 CA GLY A 52 46.946 14.036 20.633 1.00 0.00 ATOM 416 O GLY A 52 45.249 14.359 22.303 1.00 0.00 ATOM 417 C GLY A 52 45.895 13.551 21.632 1.00 0.00 ATOM 418 N ARG A 53 45.739 12.234 21.730 1.00 0.00 ATOM 419 CA ARG A 53 44.717 11.608 22.569 1.00 0.00 ATOM 420 CB ARG A 53 44.296 10.256 21.990 1.00 0.00 ATOM 421 CG ARG A 53 43.609 10.346 20.636 1.00 0.00 ATOM 422 CD ARG A 53 43.233 8.971 20.110 1.00 0.00 ATOM 423 NE ARG A 53 42.588 9.041 18.803 1.00 0.00 ATOM 424 CZ ARG A 53 42.364 7.986 18.024 1.00 0.00 ATOM 425 NH1 ARG A 53 41.771 8.145 16.849 1.00 0.00 ATOM 426 NH2 ARG A 53 42.735 6.778 18.423 1.00 0.00 ATOM 427 O ARG A 53 44.343 11.286 24.916 1.00 0.00 ATOM 428 C ARG A 53 45.176 11.358 24.012 1.00 0.00 ATOM 429 N LYS A 54 46.488 11.264 24.231 1.00 0.00 ATOM 430 CA LYS A 54 47.037 11.270 25.584 1.00 0.00 ATOM 431 CB LYS A 54 47.739 9.941 25.872 1.00 0.00 ATOM 432 CG LYS A 54 46.810 8.740 25.895 1.00 0.00 ATOM 433 CD LYS A 54 47.562 7.465 26.235 1.00 0.00 ATOM 434 CE LYS A 54 46.627 6.266 26.283 1.00 0.00 ATOM 435 NZ LYS A 54 47.348 5.015 26.642 1.00 0.00 ATOM 436 O LYS A 54 48.592 12.911 24.731 1.00 0.00 ATOM 437 C LYS A 54 48.024 12.428 25.730 1.00 0.00 ATOM 438 N SER A 55 48.203 12.889 26.961 1.00 0.00 ATOM 439 CA SER A 55 49.107 13.994 27.243 1.00 0.00 ATOM 440 CB SER A 55 48.896 14.516 28.665 1.00 0.00 ATOM 441 OG SER A 55 49.285 13.551 29.625 1.00 0.00 ATOM 442 O SER A 55 50.868 12.364 27.144 1.00 0.00 ATOM 443 C SER A 55 50.567 13.558 27.174 1.00 0.00 ATOM 444 N GLU A 56 51.478 14.545 27.143 1.00 0.00 ATOM 445 CA GLU A 56 52.911 14.279 27.098 1.00 0.00 ATOM 446 CB GLU A 56 53.675 15.603 27.128 1.00 0.00 ATOM 447 CG GLU A 56 53.573 16.408 25.842 1.00 0.00 ATOM 448 CD GLU A 56 52.288 17.209 25.756 1.00 0.00 ATOM 449 OE1 GLU A 56 51.459 17.100 26.679 1.00 0.00 ATOM 450 OE2 GLU A 56 52.113 17.945 24.760 1.00 0.00 ATOM 451 O GLU A 56 54.187 12.648 28.304 1.00 0.00 ATOM 452 C GLU A 56 53.316 13.513 28.346 1.00 0.00 ATOM 453 N GLU A 57 52.694 13.848 29.489 1.00 0.00 ATOM 454 CA GLU A 57 52.972 13.190 30.755 1.00 0.00 ATOM 455 CB GLU A 57 52.209 13.761 31.898 1.00 0.00 ATOM 456 CG GLU A 57 52.682 15.186 32.130 1.00 0.00 ATOM 457 CD GLU A 57 52.274 15.733 33.462 1.00 0.00 ATOM 458 OE1 GLU A 57 51.387 15.152 34.120 1.00 0.00 ATOM 459 OE2 GLU A 57 52.877 16.765 33.864 1.00 0.00 ATOM 460 O GLU A 57 53.252 10.831 31.164 1.00 0.00 ATOM 461 C GLU A 57 52.521 11.724 30.727 1.00 0.00 ATOM 462 N GLU A 58 51.336 11.468 30.167 1.00 0.00 ATOM 463 CA GLU A 58 50.820 10.102 30.052 1.00 0.00 ATOM 464 CB GLU A 58 49.380 10.120 29.532 1.00 0.00 ATOM 465 CG GLU A 58 48.369 10.672 30.524 1.00 0.00 ATOM 466 CD GLU A 58 46.979 10.786 29.932 1.00 0.00 ATOM 467 OE1 GLU A 58 46.820 10.503 28.722 1.00 0.00 ATOM 468 OE2 GLU A 58 46.046 11.161 30.673 1.00 0.00 ATOM 469 O GLU A 58 51.960 8.098 29.369 1.00 0.00 ATOM 470 C GLU A 58 51.663 9.258 29.086 1.00 0.00 ATOM 471 N PHE A 59 52.039 9.855 27.951 1.00 0.00 ATOM 472 CA PHE A 59 52.990 9.251 27.011 1.00 0.00 ATOM 473 CB PHE A 59 53.339 10.157 25.888 1.00 0.00 ATOM 474 CG PHE A 59 54.291 9.553 24.918 1.00 0.00 ATOM 475 CD1 PHE A 59 53.943 8.398 24.211 1.00 0.00 ATOM 476 CD2 PHE A 59 55.579 10.073 24.775 1.00 0.00 ATOM 477 CE1 PHE A 59 54.860 7.764 23.372 1.00 0.00 ATOM 478 CE2 PHE A 59 56.513 9.450 23.939 1.00 0.00 ATOM 479 CZ PHE A 59 56.151 8.285 23.240 1.00 0.00 ATOM 480 O PHE A 59 54.811 7.752 27.582 1.00 0.00 ATOM 481 C PHE A 59 54.318 8.893 27.695 1.00 0.00 ATOM 482 N ARG A 60 54.881 9.857 28.416 1.00 0.00 ATOM 483 CA ARG A 60 56.114 9.637 29.164 1.00 0.00 ATOM 484 CB ARG A 60 56.071 10.754 30.424 1.00 0.00 ATOM 485 CG ARG A 60 57.413 11.433 30.917 1.00 0.00 ATOM 486 CD ARG A 60 57.247 11.813 32.379 1.00 0.00 ATOM 487 NE ARG A 60 57.306 10.662 33.279 1.00 0.00 ATOM 488 CZ ARG A 60 57.014 10.703 34.582 1.00 0.00 ATOM 489 NH1 ARG A 60 56.628 11.832 35.182 1.00 0.00 ATOM 490 NH2 ARG A 60 57.114 9.598 35.299 1.00 0.00 ATOM 491 O ARG A 60 56.777 7.620 30.274 1.00 0.00 ATOM 492 C ARG A 60 55.931 8.503 30.181 1.00 0.00 ATOM 493 N THR A 61 54.839 8.547 30.938 1.00 0.00 ATOM 494 CA THR A 61 54.486 7.461 31.874 1.00 0.00 ATOM 495 CB THR A 61 53.079 7.667 32.421 1.00 0.00 ATOM 496 CG2 THR A 61 52.742 6.610 33.485 1.00 0.00 ATOM 497 OG1 THR A 61 53.008 8.918 33.107 1.00 0.00 ATOM 498 O THR A 61 55.035 5.130 31.836 1.00 0.00 ATOM 499 C THR A 61 54.399 6.071 31.274 1.00 0.00 ATOM 500 N GLU A 62 53.746 5.900 30.160 1.00 0.00 ATOM 501 CA GLU A 62 53.647 4.607 29.475 1.00 0.00 ATOM 502 CB GLU A 62 52.754 4.718 28.239 1.00 0.00 ATOM 503 CG GLU A 62 51.274 4.864 28.554 1.00 0.00 ATOM 504 CD GLU A 62 50.726 3.681 29.330 1.00 0.00 ATOM 505 OE1 GLU A 62 50.907 2.535 28.869 1.00 0.00 ATOM 506 OE2 GLU A 62 50.112 3.903 30.396 1.00 0.00 ATOM 507 O GLU A 62 55.355 2.930 29.187 1.00 0.00 ATOM 508 C GLU A 62 55.015 4.121 29.023 1.00 0.00 ATOM 509 N LEU A 63 55.837 4.974 28.416 1.00 0.00 ATOM 510 CA LEU A 63 57.178 4.549 27.957 1.00 0.00 ATOM 511 CB LEU A 63 57.861 5.690 27.195 1.00 0.00 ATOM 512 CG LEU A 63 59.262 5.398 26.653 1.00 0.00 ATOM 513 CD1 LEU A 63 59.226 4.251 25.657 1.00 0.00 ATOM 514 CD2 LEU A 63 59.831 6.621 25.950 1.00 0.00 ATOM 515 O LEU A 63 58.742 3.131 29.107 1.00 0.00 ATOM 516 C LEU A 63 58.067 4.156 29.139 1.00 0.00 ATOM 517 N SER A 64 58.064 4.972 30.193 1.00 0.00 ATOM 518 CA SER A 64 58.866 4.692 31.375 1.00 0.00 ATOM 519 CB SER A 64 58.701 5.804 32.414 1.00 0.00 ATOM 520 OG SER A 64 59.224 7.029 31.935 1.00 0.00 ATOM 521 O SER A 64 59.305 2.541 32.411 1.00 0.00 ATOM 522 C SER A 64 58.455 3.343 32.007 1.00 0.00 ATOM 523 N ARG A 65 57.147 3.087 32.082 1.00 0.00 ATOM 524 CA ARG A 65 56.688 1.821 32.642 1.00 0.00 ATOM 525 CB ARG A 65 55.236 1.667 32.657 1.00 0.00 ATOM 526 CG ARG A 65 54.843 0.320 33.236 1.00 0.00 ATOM 527 CD ARG A 65 53.374 0.281 33.693 1.00 0.00 ATOM 528 NE ARG A 65 52.859 1.585 34.130 1.00 0.00 ATOM 529 CZ ARG A 65 52.787 1.993 35.401 1.00 0.00 ATOM 530 NH1 ARG A 65 53.178 1.218 36.426 1.00 0.00 ATOM 531 NH2 ARG A 65 52.310 3.223 35.640 1.00 0.00 ATOM 532 O ARG A 65 57.738 -0.308 32.283 1.00 0.00 ATOM 533 C ARG A 65 57.173 0.661 31.776 1.00 0.00 ATOM 534 N TYR A 66 56.935 0.766 30.441 1.00 0.00 ATOM 535 CA TYR A 66 57.351 -0.283 29.516 1.00 0.00 ATOM 536 CB TYR A 66 57.411 0.518 28.011 1.00 0.00 ATOM 537 CG TYR A 66 56.921 -0.132 26.733 1.00 0.00 ATOM 538 CD1 TYR A 66 55.573 -0.002 26.423 1.00 0.00 ATOM 539 CD2 TYR A 66 57.753 -0.881 25.927 1.00 0.00 ATOM 540 CE1 TYR A 66 55.086 -0.602 25.259 1.00 0.00 ATOM 541 CE2 TYR A 66 57.265 -1.473 24.759 1.00 0.00 ATOM 542 CZ TYR A 66 55.926 -1.336 24.453 1.00 0.00 ATOM 543 OH TYR A 66 55.449 -1.966 23.313 1.00 0.00 ATOM 544 O TYR A 66 59.277 -1.744 29.305 1.00 0.00 ATOM 545 C TYR A 66 58.860 -0.590 29.517 1.00 0.00 ATOM 546 N ILE A 67 59.673 0.440 29.756 1.00 0.00 ATOM 547 CA ILE A 67 61.121 0.326 29.643 1.00 0.00 ATOM 548 CB ILE A 67 61.702 1.402 28.705 1.00 0.00 ATOM 549 CG1 ILE A 67 61.522 2.814 29.267 1.00 0.00 ATOM 550 CG2 ILE A 67 61.029 1.230 27.333 1.00 0.00 ATOM 551 CD1 ILE A 67 62.086 3.887 28.332 1.00 0.00 ATOM 552 O ILE A 67 63.052 0.492 31.017 1.00 0.00 ATOM 553 C ILE A 67 61.822 0.419 30.990 1.00 0.00 ATOM 554 N GLY A 68 61.006 0.382 32.078 1.00 0.00 ATOM 555 CA GLY A 68 61.518 0.311 33.424 1.00 0.00 ATOM 556 O GLY A 68 63.530 1.336 34.303 1.00 0.00 ATOM 557 C GLY A 68 62.472 1.488 33.674 1.00 0.00 ATOM 558 N LYS A 69 62.093 2.662 33.174 1.00 0.00 ATOM 559 CA LYS A 69 62.904 3.866 33.345 1.00 0.00 ATOM 560 CB LYS A 69 63.527 4.493 32.347 1.00 0.00 ATOM 561 CG LYS A 69 64.824 3.773 32.031 1.00 0.00 ATOM 562 CD LYS A 69 65.815 3.876 33.168 1.00 0.00 ATOM 563 CE LYS A 69 67.132 3.209 32.804 1.00 0.00 ATOM 564 NZ LYS A 69 67.697 3.719 31.520 1.00 0.00 ATOM 565 O LYS A 69 61.314 5.238 34.505 1.00 0.00 ATOM 566 C LYS A 69 62.442 4.741 34.482 1.00 0.00 ATOM 567 N GLU A 70 63.334 4.869 35.505 1.00 0.00 ATOM 568 CA GLU A 70 63.009 5.624 36.698 1.00 0.00 ATOM 569 CB GLU A 70 63.064 4.476 37.877 1.00 0.00 ATOM 570 CG GLU A 70 64.316 3.655 37.850 1.00 0.00 ATOM 571 CD GLU A 70 64.495 2.606 38.923 1.00 0.00 ATOM 572 OE1 GLU A 70 63.655 1.770 39.239 1.00 0.00 ATOM 573 OE2 GLU A 70 65.618 2.727 39.475 1.00 0.00 ATOM 574 O GLU A 70 64.377 7.597 36.919 1.00 0.00 ATOM 575 C GLU A 70 63.365 7.090 36.419 1.00 0.00 ATOM 576 N LEU A 71 62.542 7.753 35.613 1.00 0.00 ATOM 577 CA LEU A 71 62.783 9.145 35.233 1.00 0.00 ATOM 578 CB LEU A 71 62.887 9.216 33.719 1.00 0.00 ATOM 579 CG LEU A 71 63.955 8.302 33.109 1.00 0.00 ATOM 580 CD1 LEU A 71 63.683 8.122 31.627 1.00 0.00 ATOM 581 CD2 LEU A 71 65.323 8.878 33.412 1.00 0.00 ATOM 582 O LEU A 71 60.490 9.605 35.639 1.00 0.00 ATOM 583 C LEU A 71 61.632 10.031 35.658 1.00 0.00 ATOM 584 N THR A 72 61.933 11.277 35.999 1.00 0.00 ATOM 585 CA THR A 72 60.895 12.298 36.149 1.00 0.00 ATOM 586 CB THR A 72 61.411 13.513 36.941 1.00 0.00 ATOM 587 CG2 THR A 72 61.922 13.083 38.306 1.00 0.00 ATOM 588 OG1 THR A 72 62.476 14.139 36.220 1.00 0.00 ATOM 589 O THR A 72 61.134 12.357 33.779 1.00 0.00 ATOM 590 C THR A 72 60.466 12.716 34.754 1.00 0.00 ATOM 591 N TYR A 73 59.384 13.490 34.649 1.00 0.00 ATOM 592 CA TYR A 73 58.993 14.010 33.346 1.00 0.00 ATOM 593 CB TYR A 73 58.141 15.377 33.842 1.00 0.00 ATOM 594 CG TYR A 73 57.376 16.129 32.803 1.00 0.00 ATOM 595 CD1 TYR A 73 56.174 15.665 32.263 1.00 0.00 ATOM 596 CD2 TYR A 73 57.898 17.331 32.332 1.00 0.00 ATOM 597 CE1 TYR A 73 55.472 16.375 31.289 1.00 0.00 ATOM 598 CE2 TYR A 73 57.208 18.056 31.358 1.00 0.00 ATOM 599 CZ TYR A 73 55.999 17.586 30.843 1.00 0.00 ATOM 600 OH TYR A 73 55.335 18.314 29.882 1.00 0.00 ATOM 601 O TYR A 73 60.284 14.892 31.496 1.00 0.00 ATOM 602 C TYR A 73 60.087 14.905 32.720 1.00 0.00 ATOM 603 N GLN A 74 60.791 15.662 33.559 1.00 0.00 ATOM 604 CA GLN A 74 61.820 16.589 33.091 1.00 0.00 ATOM 605 CB GLN A 74 62.352 17.436 34.249 1.00 0.00 ATOM 606 CG GLN A 74 61.382 18.492 34.745 1.00 0.00 ATOM 607 CD GLN A 74 61.896 19.235 35.964 1.00 0.00 ATOM 608 OE1 GLN A 74 62.950 18.902 36.503 1.00 0.00 ATOM 609 NE2 GLN A 74 61.152 20.244 36.399 1.00 0.00 ATOM 610 O GLN A 74 63.498 16.184 31.428 1.00 0.00 ATOM 611 C GLN A 74 62.983 15.810 32.483 1.00 0.00 ATOM 612 N GLN A 75 63.393 14.747 33.172 1.00 0.00 ATOM 613 CA GLN A 75 64.452 13.875 32.698 1.00 0.00 ATOM 614 CB GLN A 75 64.786 12.818 33.751 1.00 0.00 ATOM 615 CG GLN A 75 65.462 13.374 34.995 1.00 0.00 ATOM 616 CD GLN A 75 65.676 12.316 36.063 1.00 0.00 ATOM 617 OE1 GLN A 75 65.229 11.178 35.922 1.00 0.00 ATOM 618 NE2 GLN A 75 66.361 12.692 37.135 1.00 0.00 ATOM 619 O GLN A 75 64.871 13.093 30.475 1.00 0.00 ATOM 620 C GLN A 75 64.061 13.206 31.380 1.00 0.00 ATOM 621 N VAL A 76 62.809 12.731 31.313 1.00 0.00 ATOM 622 CA VAL A 76 62.280 12.090 30.114 1.00 0.00 ATOM 623 CB VAL A 76 60.823 11.547 30.373 1.00 0.00 ATOM 624 CG1 VAL A 76 60.120 11.170 29.047 1.00 0.00 ATOM 625 CG2 VAL A 76 60.887 10.329 31.279 1.00 0.00 ATOM 626 O VAL A 76 62.812 12.729 27.848 1.00 0.00 ATOM 627 C VAL A 76 62.337 13.065 28.938 1.00 0.00 ATOM 628 N TYR A 77 61.837 14.294 29.167 1.00 0.00 ATOM 629 CA TYR A 77 61.841 15.333 28.144 1.00 0.00 ATOM 630 CB TYR A 77 60.984 16.528 28.709 1.00 0.00 ATOM 631 CG TYR A 77 61.030 17.791 27.882 1.00 0.00 ATOM 632 CD1 TYR A 77 60.081 18.029 26.885 1.00 0.00 ATOM 633 CD2 TYR A 77 62.022 18.744 28.085 1.00 0.00 ATOM 634 CE1 TYR A 77 60.123 19.184 26.113 1.00 0.00 ATOM 635 CE2 TYR A 77 62.080 19.904 27.318 1.00 0.00 ATOM 636 CZ TYR A 77 61.135 20.120 26.334 1.00 0.00 ATOM 637 OH TYR A 77 61.224 21.248 25.549 1.00 0.00 ATOM 638 O TYR A 77 63.522 15.956 26.580 1.00 0.00 ATOM 639 C TYR A 77 63.251 15.751 27.757 1.00 0.00 ATOM 640 N ASP A 78 64.189 15.866 28.724 1.00 0.00 ATOM 641 CA ASP A 78 65.563 16.242 28.408 1.00 0.00 ATOM 642 CB ASP A 78 66.461 16.271 29.600 1.00 0.00 ATOM 643 CG ASP A 78 66.343 17.582 30.370 1.00 0.00 ATOM 644 OD1 ASP A 78 65.719 18.558 29.873 1.00 0.00 ATOM 645 OD2 ASP A 78 66.861 17.725 31.494 1.00 0.00 ATOM 646 O ASP A 78 66.815 15.556 26.468 1.00 0.00 ATOM 647 C ASP A 78 66.186 15.204 27.464 1.00 0.00 ATOM 648 N ALA A 79 66.009 13.922 27.770 1.00 0.00 ATOM 649 CA ALA A 79 66.531 12.853 26.921 1.00 0.00 ATOM 650 CB ALA A 79 66.305 11.525 27.467 1.00 0.00 ATOM 651 O ALA A 79 66.567 12.767 24.520 1.00 0.00 ATOM 652 C ALA A 79 65.894 12.944 25.540 1.00 0.00 ATOM 653 N LEU A 80 64.580 13.228 25.506 1.00 0.00 ATOM 654 CA LEU A 80 63.866 13.355 24.242 1.00 0.00 ATOM 655 CB LEU A 80 62.343 13.399 24.592 1.00 0.00 ATOM 656 CG LEU A 80 61.255 13.333 23.499 1.00 0.00 ATOM 657 CD1 LEU A 80 61.159 14.662 22.762 1.00 0.00 ATOM 658 CD2 LEU A 80 61.526 12.181 22.539 1.00 0.00 ATOM 659 O LEU A 80 64.547 14.432 22.195 1.00 0.00 ATOM 660 C LEU A 80 64.403 14.528 23.419 1.00 0.00 ATOM 661 N LEU A 81 64.674 15.609 24.095 1.00 0.00 ATOM 662 CA LEU A 81 65.194 16.790 23.420 1.00 0.00 ATOM 663 CB LEU A 81 65.011 17.967 24.489 1.00 0.00 ATOM 664 CG LEU A 81 65.525 19.323 24.046 1.00 0.00 ATOM 665 CD1 LEU A 81 64.928 19.734 22.680 1.00 0.00 ATOM 666 CD2 LEU A 81 65.181 20.299 25.179 1.00 0.00 ATOM 667 O LEU A 81 66.884 17.180 21.748 1.00 0.00 ATOM 668 C LEU A 81 66.524 16.496 22.722 1.00 0.00 ATOM 669 N GLY A 82 67.241 15.481 23.203 1.00 0.00 ATOM 670 CA GLY A 82 68.567 15.134 22.654 1.00 0.00 ATOM 671 O GLY A 82 69.498 13.856 20.891 1.00 0.00 ATOM 672 C GLY A 82 68.456 14.213 21.459 1.00 0.00 ATOM 673 N PHE A 83 67.186 13.869 21.006 1.00 0.00 ATOM 674 CA PHE A 83 67.037 13.076 19.798 1.00 0.00 ATOM 675 CB PHE A 83 65.535 12.830 19.526 1.00 0.00 ATOM 676 CG PHE A 83 64.776 14.090 19.203 1.00 0.00 ATOM 677 CD1 PHE A 83 64.703 14.558 17.893 1.00 0.00 ATOM 678 CD2 PHE A 83 64.145 14.813 20.208 1.00 0.00 ATOM 679 CE1 PHE A 83 64.007 15.729 17.589 1.00 0.00 ATOM 680 CE2 PHE A 83 63.449 15.983 19.916 1.00 0.00 ATOM 681 CZ PHE A 83 63.377 16.443 18.604 1.00 0.00 ATOM 682 O PHE A 83 68.248 14.865 18.778 1.00 0.00 ATOM 683 C PHE A 83 68.010 13.659 18.785 1.00 0.00 ATOM 684 N LEU A 84 68.630 12.814 17.926 1.00 0.00 ATOM 685 CA LEU A 84 69.581 13.282 16.922 1.00 0.00 ATOM 686 CB LEU A 84 70.511 12.158 16.459 1.00 0.00 ATOM 687 CG LEU A 84 71.550 12.531 15.399 1.00 0.00 ATOM 688 CD1 LEU A 84 72.554 13.526 15.960 1.00 0.00 ATOM 689 CD2 LEU A 84 72.313 11.297 14.939 1.00 0.00 ATOM 690 O LEU A 84 67.832 13.066 15.287 1.00 0.00 ATOM 691 C LEU A 84 68.748 13.763 15.745 1.00 0.00 ATOM 692 N GLU A 85 69.058 14.969 15.275 1.00 0.00 ATOM 693 CA GLU A 85 68.369 15.569 14.152 1.00 0.00 ATOM 694 CB GLU A 85 67.548 16.781 14.580 1.00 0.00 ATOM 695 CG GLU A 85 66.147 16.392 14.994 1.00 0.00 ATOM 696 CD GLU A 85 65.253 17.600 15.238 1.00 0.00 ATOM 697 OE1 GLU A 85 65.514 18.366 16.186 1.00 0.00 ATOM 698 OE2 GLU A 85 64.284 17.778 14.472 1.00 0.00 ATOM 699 O GLU A 85 70.070 17.224 13.772 1.00 0.00 ATOM 700 C GLU A 85 69.388 16.335 13.283 1.00 0.00 ATOM 701 N GLU A 86 69.500 15.957 12.011 1.00 0.00 ATOM 702 CA GLU A 86 70.334 16.693 11.047 1.00 0.00 ATOM 703 CB GLU A 86 71.491 15.817 10.560 1.00 0.00 ATOM 704 CG GLU A 86 72.409 16.502 9.565 1.00 0.00 ATOM 705 CD GLU A 86 73.561 15.617 9.131 1.00 0.00 ATOM 706 OE1 GLU A 86 73.604 14.446 9.564 1.00 0.00 ATOM 707 OE2 GLU A 86 74.422 16.093 8.361 1.00 0.00 ATOM 708 O GLU A 86 68.798 16.331 9.260 1.00 0.00 ATOM 709 C GLU A 86 69.495 17.134 9.858 1.00 0.00 ATOM 710 N ILE A 87 69.582 18.371 9.479 1.00 0.00 ATOM 711 CA ILE A 87 68.929 18.882 8.292 1.00 0.00 ATOM 712 CB ILE A 87 69.069 20.409 8.152 1.00 0.00 ATOM 713 CG1 ILE A 87 70.546 20.803 8.064 1.00 0.00 ATOM 714 CG2 ILE A 87 68.454 21.113 9.353 1.00 0.00 ATOM 715 CD1 ILE A 87 70.771 22.264 7.737 1.00 0.00 ATOM 716 O ILE A 87 70.650 18.516 6.643 1.00 0.00 ATOM 717 C ILE A 87 69.437 18.380 6.928 1.00 0.00 ATOM 718 N SER A 88 68.514 17.902 5.986 1.00 0.00 ATOM 719 CA SER A 88 68.899 17.535 4.626 1.00 0.00 ATOM 720 CB SER A 88 68.049 16.421 4.012 1.00 0.00 ATOM 721 OG SER A 88 68.143 15.228 4.773 1.00 0.00 ATOM 722 O SER A 88 67.708 19.131 3.306 1.00 0.00 ATOM 723 C SER A 88 68.780 18.820 3.817 1.00 0.00 ATOM 724 N ALA A 89 69.868 19.609 3.763 1.00 0.00 ATOM 725 CA ALA A 89 69.767 20.959 3.172 1.00 0.00 ATOM 726 CB ALA A 89 71.111 21.691 3.281 1.00 0.00 ATOM 727 O ALA A 89 68.743 21.878 1.210 1.00 0.00 ATOM 728 C ALA A 89 69.333 20.916 1.707 1.00 0.00 ATOM 729 N GLU A 90 69.660 19.813 1.002 1.00 0.00 ATOM 730 CA GLU A 90 69.285 19.685 -0.409 1.00 0.00 ATOM 731 CB GLU A 90 69.838 18.369 -0.959 1.00 0.00 ATOM 732 CG GLU A 90 71.345 18.365 -1.160 1.00 0.00 ATOM 733 CD GLU A 90 71.808 19.450 -2.113 1.00 0.00 ATOM 734 OE1 GLU A 90 71.261 19.530 -3.232 1.00 0.00 ATOM 735 OE2 GLU A 90 72.715 20.222 -1.739 1.00 0.00 ATOM 736 O GLU A 90 67.213 20.618 -1.241 1.00 0.00 ATOM 737 C GLU A 90 67.752 19.813 -0.473 1.00 0.00 ATOM 738 N LYS A 91 67.053 19.015 0.334 1.00 0.00 ATOM 739 CA LYS A 91 65.595 19.070 0.380 1.00 0.00 ATOM 740 CB LYS A 91 65.049 18.089 1.419 1.00 0.00 ATOM 741 CG LYS A 91 65.189 16.626 1.027 1.00 0.00 ATOM 742 CD LYS A 91 66.644 16.184 1.067 1.00 0.00 ATOM 743 CE LYS A 91 66.764 14.676 0.900 1.00 0.00 ATOM 744 NZ LYS A 91 68.160 14.206 1.116 1.00 0.00 ATOM 745 O LYS A 91 64.123 20.939 0.076 1.00 0.00 ATOM 746 C LYS A 91 65.090 20.478 0.682 1.00 0.00 ATOM 747 N PHE A 92 65.764 21.179 1.612 1.00 0.00 ATOM 748 CA PHE A 92 65.357 22.543 1.937 1.00 0.00 ATOM 749 CB PHE A 92 66.226 23.128 3.054 1.00 0.00 ATOM 750 CG PHE A 92 65.958 22.533 4.407 1.00 0.00 ATOM 751 CD1 PHE A 92 64.824 21.767 4.628 1.00 0.00 ATOM 752 CD2 PHE A 92 66.832 22.743 5.456 1.00 0.00 ATOM 753 CE1 PHE A 92 64.575 21.221 5.871 1.00 0.00 ATOM 754 CE2 PHE A 92 66.585 22.195 6.702 1.00 0.00 ATOM 755 CZ PHE A 92 65.462 21.438 6.911 1.00 0.00 ATOM 756 O PHE A 92 64.667 24.288 0.435 1.00 0.00 ATOM 757 C PHE A 92 65.524 23.443 0.711 1.00 0.00 ATOM 758 N ASP A 93 66.652 23.290 0.013 1.00 0.00 ATOM 759 CA ASP A 93 66.923 24.052 -1.226 1.00 0.00 ATOM 760 CB ASP A 93 68.285 23.668 -1.802 1.00 0.00 ATOM 761 CG ASP A 93 69.439 24.236 -1.005 1.00 0.00 ATOM 762 OD1 ASP A 93 69.196 25.117 -0.151 1.00 0.00 ATOM 763 OD2 ASP A 93 70.588 23.802 -1.227 1.00 0.00 ATOM 764 O ASP A 93 65.395 24.650 -2.993 1.00 0.00 ATOM 765 C ASP A 93 65.853 23.753 -2.288 1.00 0.00 ATOM 766 N TYR A 94 65.490 22.473 -2.475 1.00 0.00 ATOM 767 CA TYR A 94 64.515 22.117 -3.489 1.00 0.00 ATOM 768 CB TYR A 94 64.400 20.633 -3.725 1.00 0.00 ATOM 769 CG TYR A 94 65.584 20.268 -4.613 1.00 0.00 ATOM 770 CD1 TYR A 94 65.522 20.453 -5.983 1.00 0.00 ATOM 771 CD2 TYR A 94 66.808 19.953 -4.041 1.00 0.00 ATOM 772 CE1 TYR A 94 66.617 20.209 -6.775 1.00 0.00 ATOM 773 CE2 TYR A 94 67.924 19.740 -4.832 1.00 0.00 ATOM 774 CZ TYR A 94 67.811 19.859 -6.194 1.00 0.00 ATOM 775 OH TYR A 94 68.917 19.701 -7.007 1.00 0.00 ATOM 776 O TYR A 94 62.356 23.091 -3.994 1.00 0.00 ATOM 777 C TYR A 94 63.143 22.684 -3.120 1.00 0.00 ATOM 778 N ILE A 95 62.808 22.708 -1.808 1.00 0.00 ATOM 779 CA ILE A 95 61.551 23.253 -1.337 1.00 0.00 ATOM 780 CB ILE A 95 61.280 23.066 0.157 1.00 0.00 ATOM 781 CG1 ILE A 95 61.284 21.517 0.396 1.00 0.00 ATOM 782 CG2 ILE A 95 60.003 23.832 0.618 1.00 0.00 ATOM 783 CD1 ILE A 95 61.327 21.131 1.911 1.00 0.00 ATOM 784 O ILE A 95 60.496 25.225 -2.262 1.00 0.00 ATOM 785 C ILE A 95 61.480 24.747 -1.685 1.00 0.00 ATOM 786 N ASP A 96 62.546 25.488 -1.413 1.00 0.00 ATOM 787 CA ASP A 96 62.541 26.922 -1.763 1.00 0.00 ATOM 788 CB ASP A 96 63.867 27.557 -1.340 1.00 0.00 ATOM 789 CG ASP A 96 63.893 29.057 -1.566 1.00 0.00 ATOM 790 OD1 ASP A 96 63.069 29.765 -0.946 1.00 0.00 ATOM 791 OD2 ASP A 96 64.736 29.523 -2.361 1.00 0.00 ATOM 792 O ASP A 96 61.591 27.954 -3.721 1.00 0.00 ATOM 793 C ASP A 96 62.356 27.098 -3.284 1.00 0.00 ATOM 794 N SER A 97 63.065 26.263 -4.059 1.00 0.00 ATOM 795 CA SER A 97 62.978 26.375 -5.511 1.00 0.00 ATOM 796 CB SER A 97 63.909 25.443 -6.227 1.00 0.00 ATOM 797 OG SER A 97 65.216 25.571 -5.737 1.00 0.00 ATOM 798 O SER A 97 61.192 26.575 -7.112 1.00 0.00 ATOM 799 C SER A 97 61.533 26.182 -5.997 1.00 0.00 ATOM 800 N LEU A 98 60.670 25.606 -5.172 1.00 0.00 ATOM 801 CA LEU A 98 59.287 25.396 -5.530 1.00 0.00 ATOM 802 CB LEU A 98 58.733 24.183 -4.783 1.00 0.00 ATOM 803 CG LEU A 98 59.307 22.858 -5.261 1.00 0.00 ATOM 804 CD1 LEU A 98 59.015 21.785 -4.244 1.00 0.00 ATOM 805 CD2 LEU A 98 58.761 22.489 -6.652 1.00 0.00 ATOM 806 O LEU A 98 57.298 26.691 -5.815 1.00 0.00 ATOM 807 C LEU A 98 58.401 26.595 -5.246 1.00 0.00 ATOM 808 N ARG A 99 58.856 27.534 -4.408 1.00 0.00 ATOM 809 CA ARG A 99 57.990 28.656 -4.052 1.00 0.00 ATOM 810 CB ARG A 99 58.743 29.356 -2.827 1.00 0.00 ATOM 811 CG ARG A 99 58.008 30.556 -2.251 1.00 0.00 ATOM 812 CD ARG A 99 59.041 31.081 -1.231 1.00 0.00 ATOM 813 NE ARG A 99 58.707 30.465 0.032 1.00 0.00 ATOM 814 CZ ARG A 99 57.891 30.854 0.991 1.00 0.00 ATOM 815 NH1 ARG A 99 57.198 31.984 0.953 1.00 0.00 ATOM 816 NH2 ARG A 99 57.787 30.063 2.039 1.00 0.00 ATOM 817 O ARG A 99 56.673 30.356 -5.031 1.00 0.00 ATOM 818 C ARG A 99 57.632 29.613 -5.185 1.00 0.00 ATOM 819 N PRO A 100 58.390 29.670 -6.272 1.00 0.00 ATOM 820 CA PRO A 100 58.003 30.605 -7.368 1.00 0.00 ATOM 821 CB PRO A 100 59.294 30.936 -8.059 1.00 0.00 ATOM 822 CG PRO A 100 60.116 29.704 -7.851 1.00 0.00 ATOM 823 CD PRO A 100 59.845 29.361 -6.405 1.00 0.00 ATOM 824 O PRO A 100 55.951 31.817 -7.527 1.00 0.00 ATOM 825 C PRO A 100 56.480 30.710 -7.432 1.00 0.00 ATOM 826 N ASP A 101 55.717 29.557 -7.264 1.00 0.00 ATOM 827 CA ASP A 101 54.259 29.493 -7.183 1.00 0.00 ATOM 828 CB ASP A 101 53.596 29.973 -8.500 1.00 0.00 ATOM 829 CG ASP A 101 53.753 28.964 -9.621 1.00 0.00 ATOM 830 OD1 ASP A 101 54.423 27.930 -9.415 1.00 0.00 ATOM 831 OD2 ASP A 101 53.204 29.215 -10.714 1.00 0.00 ATOM 832 O ASP A 101 52.345 28.136 -6.712 1.00 0.00 ATOM 833 C ASP A 101 53.577 28.191 -6.785 1.00 0.00 ATOM 834 N TYR A 102 54.192 27.132 -6.535 1.00 0.00 ATOM 835 CA TYR A 102 53.591 25.874 -6.123 1.00 0.00 ATOM 836 CB TYR A 102 54.572 24.712 -6.210 1.00 0.00 ATOM 837 CG TYR A 102 54.833 24.247 -7.628 1.00 0.00 ATOM 838 CD1 TYR A 102 55.391 25.106 -8.568 1.00 0.00 ATOM 839 CD2 TYR A 102 54.531 22.943 -8.017 1.00 0.00 ATOM 840 CE1 TYR A 102 55.637 24.687 -9.876 1.00 0.00 ATOM 841 CE2 TYR A 102 54.771 22.514 -9.326 1.00 0.00 ATOM 842 CZ TYR A 102 55.323 23.398 -10.244 1.00 0.00 ATOM 843 OH TYR A 102 55.570 22.991 -11.544 1.00 0.00 ATOM 844 O TYR A 102 53.806 26.811 -3.929 1.00 0.00 ATOM 845 C TYR A 102 53.260 25.972 -4.640 1.00 0.00 ATOM 846 N ARG A 103 52.377 25.091 -4.177 1.00 0.00 ATOM 847 CA ARG A 103 52.023 25.043 -2.761 1.00 0.00 ATOM 848 CB ARG A 103 50.503 24.857 -2.610 1.00 0.00 ATOM 849 CG ARG A 103 49.711 26.016 -3.115 1.00 0.00 ATOM 850 CD ARG A 103 48.270 26.033 -2.621 1.00 0.00 ATOM 851 NE ARG A 103 47.425 26.953 -3.390 1.00 0.00 ATOM 852 CZ ARG A 103 46.135 27.164 -3.153 1.00 0.00 ATOM 853 NH1 ARG A 103 45.531 26.522 -2.162 1.00 0.00 ATOM 854 NH2 ARG A 103 45.432 28.009 -3.923 1.00 0.00 ATOM 855 O ARG A 103 53.020 22.859 -2.626 1.00 0.00 ATOM 856 C ARG A 103 52.913 23.976 -2.119 1.00 0.00 ATOM 857 N LEU A 104 53.536 24.323 -0.990 1.00 0.00 ATOM 858 CA LEU A 104 54.434 23.400 -0.290 1.00 0.00 ATOM 859 CB LEU A 104 55.881 23.903 -0.347 1.00 0.00 ATOM 860 CG LEU A 104 56.503 24.018 -1.740 1.00 0.00 ATOM 861 CD1 LEU A 104 57.861 24.698 -1.667 1.00 0.00 ATOM 862 CD2 LEU A 104 56.694 22.643 -2.358 1.00 0.00 ATOM 863 O LEU A 104 53.924 24.289 1.882 1.00 0.00 ATOM 864 C LEU A 104 53.990 23.285 1.168 1.00 0.00 ATOM 865 N PHE A 105 53.657 22.066 1.586 1.00 0.00 ATOM 866 CA PHE A 105 53.253 21.813 2.978 1.00 0.00 ATOM 867 CB PHE A 105 51.756 21.513 3.073 1.00 0.00 ATOM 868 CG PHE A 105 50.879 22.636 2.594 1.00 0.00 ATOM 869 CD1 PHE A 105 50.432 22.674 1.283 1.00 0.00 ATOM 870 CD2 PHE A 105 50.503 23.655 3.452 1.00 0.00 ATOM 871 CE1 PHE A 105 49.627 23.707 0.844 1.00 0.00 ATOM 872 CE2 PHE A 105 49.696 24.686 3.010 1.00 0.00 ATOM 873 CZ PHE A 105 49.260 24.716 1.714 1.00 0.00 ATOM 874 O PHE A 105 54.451 19.717 2.828 1.00 0.00 ATOM 875 C PHE A 105 53.999 20.608 3.566 1.00 0.00 ATOM 876 N LEU A 106 54.050 20.547 4.893 1.00 0.00 ATOM 877 CA LEU A 106 54.636 19.408 5.602 1.00 0.00 ATOM 878 CB LEU A 106 55.602 19.896 6.684 1.00 0.00 ATOM 879 CG LEU A 106 56.299 18.811 7.510 1.00 0.00 ATOM 880 CD1 LEU A 106 57.254 18.009 6.641 1.00 0.00 ATOM 881 CD2 LEU A 106 57.093 19.431 8.648 1.00 0.00 ATOM 882 O LEU A 106 52.553 19.189 6.758 1.00 0.00 ATOM 883 C LEU A 106 53.515 18.608 6.262 1.00 0.00 ATOM 884 N LEU A 107 53.623 17.284 6.248 1.00 0.00 ATOM 885 CA LEU A 107 52.631 16.447 6.933 1.00 0.00 ATOM 886 CB LEU A 107 51.772 15.713 5.902 1.00 0.00 ATOM 887 CG LEU A 107 50.692 14.783 6.465 1.00 0.00 ATOM 888 CD1 LEU A 107 49.673 15.570 7.274 1.00 0.00 ATOM 889 CD2 LEU A 107 49.957 14.074 5.338 1.00 0.00 ATOM 890 O LEU A 107 54.074 14.588 7.301 1.00 0.00 ATOM 891 C LEU A 107 53.339 15.424 7.812 1.00 0.00 ATOM 892 N SER A 108 53.229 15.581 9.124 1.00 0.00 ATOM 893 CA SER A 108 54.013 14.771 10.046 1.00 0.00 ATOM 894 CB SER A 108 55.090 15.621 10.724 1.00 0.00 ATOM 895 OG SER A 108 55.829 14.858 11.661 1.00 0.00 ATOM 896 O SER A 108 52.457 14.878 11.851 1.00 0.00 ATOM 897 C SER A 108 53.195 14.159 11.175 1.00 0.00 ATOM 898 N ASN A 109 53.402 12.863 11.432 1.00 0.00 ATOM 899 CA ASN A 109 52.874 12.237 12.655 1.00 0.00 ATOM 900 CB ASN A 109 52.773 10.719 12.473 1.00 0.00 ATOM 901 CG ASN A 109 51.723 10.323 11.452 1.00 0.00 ATOM 902 ND2 ASN A 109 51.957 9.211 10.767 1.00 0.00 ATOM 903 OD1 ASN A 109 50.717 11.011 11.281 1.00 0.00 ATOM 904 O ASN A 109 54.995 12.084 13.770 1.00 0.00 ATOM 905 C ASN A 109 53.875 12.617 13.737 1.00 0.00 ATOM 906 N THR A 110 53.510 13.544 14.604 1.00 0.00 ATOM 907 CA THR A 110 54.494 14.076 15.551 1.00 0.00 ATOM 908 CB THR A 110 54.530 15.631 15.465 1.00 0.00 ATOM 909 CG2 THR A 110 54.721 16.133 14.030 1.00 0.00 ATOM 910 OG1 THR A 110 53.245 16.135 15.896 1.00 0.00 ATOM 911 O THR A 110 53.201 13.271 17.410 1.00 0.00 ATOM 912 C THR A 110 54.325 13.458 16.948 1.00 0.00 ATOM 913 N ASN A 111 55.443 13.154 17.610 1.00 0.00 ATOM 914 CA ASN A 111 55.435 12.823 19.043 1.00 0.00 ATOM 915 CB ASN A 111 56.203 11.527 19.309 1.00 0.00 ATOM 916 CG ASN A 111 57.662 11.622 18.913 1.00 0.00 ATOM 917 ND2 ASN A 111 58.434 10.597 19.252 1.00 0.00 ATOM 918 OD1 ASN A 111 58.088 12.608 18.311 1.00 0.00 ATOM 919 O ASN A 111 56.579 13.659 20.995 1.00 0.00 ATOM 920 C ASN A 111 56.085 13.917 19.893 1.00 0.00 ATOM 921 N PRO A 112 56.000 15.155 19.413 1.00 0.00 ATOM 922 CA PRO A 112 56.496 16.305 20.186 1.00 0.00 ATOM 923 CB PRO A 112 56.411 17.435 19.558 1.00 0.00 ATOM 924 CG PRO A 112 55.896 17.216 18.170 1.00 0.00 ATOM 925 CD PRO A 112 56.437 15.840 17.819 1.00 0.00 ATOM 926 O PRO A 112 54.484 16.123 21.576 1.00 0.00 ATOM 927 C PRO A 112 55.672 16.418 21.477 1.00 0.00 ATOM 928 N TYR A 113 56.392 16.799 22.512 1.00 0.00 ATOM 929 CA TYR A 113 55.853 17.176 23.815 1.00 0.00 ATOM 930 CB TYR A 113 56.791 16.881 24.996 1.00 0.00 ATOM 931 CG TYR A 113 57.145 15.431 25.209 1.00 0.00 ATOM 932 CD1 TYR A 113 57.998 14.761 24.334 1.00 0.00 ATOM 933 CD2 TYR A 113 56.648 14.733 26.306 1.00 0.00 ATOM 934 CE1 TYR A 113 58.350 13.426 24.554 1.00 0.00 ATOM 935 CE2 TYR A 113 56.989 13.407 26.537 1.00 0.00 ATOM 936 CZ TYR A 113 57.840 12.760 25.657 1.00 0.00 ATOM 937 OH TYR A 113 58.175 11.451 25.885 1.00 0.00 ATOM 938 O TYR A 113 56.216 19.466 23.222 1.00 0.00 ATOM 939 C TYR A 113 55.540 18.654 23.863 1.00 0.00 ATOM 940 N VAL A 114 54.464 18.988 24.561 1.00 0.00 ATOM 941 CA VAL A 114 54.025 20.379 24.643 1.00 0.00 ATOM 942 CB VAL A 114 52.645 20.508 25.350 1.00 0.00 ATOM 943 CG1 VAL A 114 52.735 20.351 26.832 1.00 0.00 ATOM 944 CG2 VAL A 114 51.913 21.803 24.979 1.00 0.00 ATOM 945 O VAL A 114 55.106 22.483 25.037 1.00 0.00 ATOM 946 C VAL A 114 55.104 21.272 25.254 1.00 0.00 ATOM 947 N LEU A 115 56.029 20.651 26.001 1.00 0.00 ATOM 948 CA LEU A 115 57.082 21.420 26.646 1.00 0.00 ATOM 949 CB LEU A 115 57.725 20.475 27.755 1.00 0.00 ATOM 950 CG LEU A 115 58.854 21.079 28.585 1.00 0.00 ATOM 951 CD1 LEU A 115 58.391 22.332 29.314 1.00 0.00 ATOM 952 CD2 LEU A 115 59.354 20.039 29.562 1.00 0.00 ATOM 953 O LEU A 115 58.532 23.143 25.838 1.00 0.00 ATOM 954 C LEU A 115 58.018 22.056 25.613 1.00 0.00 ATOM 955 N ASP A 116 58.243 21.391 24.460 1.00 0.00 ATOM 956 CA ASP A 116 59.094 21.952 23.401 1.00 0.00 ATOM 957 CB ASP A 116 59.254 20.978 22.231 1.00 0.00 ATOM 958 CG ASP A 116 60.249 19.869 22.499 1.00 0.00 ATOM 959 OD1 ASP A 116 61.178 20.056 23.309 1.00 0.00 ATOM 960 OD2 ASP A 116 60.116 18.818 21.852 1.00 0.00 ATOM 961 O ASP A 116 59.145 24.272 22.782 1.00 0.00 ATOM 962 C ASP A 116 58.462 23.250 22.908 1.00 0.00 ATOM 963 N LEU A 117 57.162 23.206 22.622 1.00 0.00 ATOM 964 CA LEU A 117 56.449 24.389 22.144 1.00 0.00 ATOM 965 CB LEU A 117 55.027 24.078 21.735 1.00 0.00 ATOM 966 CG LEU A 117 54.795 23.106 20.598 1.00 0.00 ATOM 967 CD1 LEU A 117 53.339 22.802 20.418 1.00 0.00 ATOM 968 CD2 LEU A 117 55.491 23.620 19.376 1.00 0.00 ATOM 969 O LEU A 117 56.658 26.666 22.883 1.00 0.00 ATOM 970 C LEU A 117 56.503 25.485 23.205 1.00 0.00 ATOM 971 N ALA A 118 56.382 25.111 24.513 1.00 0.00 ATOM 972 CA ALA A 118 56.417 26.070 25.612 1.00 0.00 ATOM 973 CB ALA A 118 56.225 25.336 26.932 1.00 0.00 ATOM 974 O ALA A 118 57.907 27.931 25.968 1.00 0.00 ATOM 975 C ALA A 118 57.783 26.753 25.682 1.00 0.00 ATOM 976 N MET A 119 58.842 25.886 25.437 1.00 0.00 ATOM 977 CA MET A 119 60.195 26.393 25.522 1.00 0.00 ATOM 978 CB MET A 119 60.856 26.046 26.841 1.00 0.00 ATOM 979 CG MET A 119 62.320 26.550 26.884 1.00 0.00 ATOM 980 SD MET A 119 63.162 26.077 28.376 1.00 0.00 ATOM 981 CE MET A 119 63.208 24.266 28.124 1.00 0.00 ATOM 982 O MET A 119 61.201 24.615 24.290 1.00 0.00 ATOM 983 C MET A 119 61.121 25.829 24.463 1.00 0.00 ATOM 984 N SER A 120 61.988 26.694 23.934 1.00 0.00 ATOM 985 CA SER A 120 63.066 26.280 23.044 1.00 0.00 ATOM 986 CB SER A 120 63.550 27.469 22.204 1.00 0.00 ATOM 987 OG SER A 120 64.072 28.496 23.034 1.00 0.00 ATOM 988 O SER A 120 64.347 25.877 25.023 1.00 0.00 ATOM 989 C SER A 120 64.178 25.604 23.838 1.00 0.00 ATOM 990 N PRO A 121 64.906 24.639 23.136 1.00 0.00 ATOM 991 CA PRO A 121 64.821 24.225 21.725 1.00 0.00 ATOM 992 CB PRO A 121 66.254 23.809 21.408 1.00 0.00 ATOM 993 CG PRO A 121 67.071 24.603 22.340 1.00 0.00 ATOM 994 CD PRO A 121 66.290 24.614 23.620 1.00 0.00 ATOM 995 O PRO A 121 63.614 22.218 22.278 1.00 0.00 ATOM 996 C PRO A 121 63.708 23.191 21.523 1.00 0.00 ATOM 997 N ARG A 122 62.870 23.415 20.514 1.00 0.00 ATOM 998 CA ARG A 122 61.754 22.514 20.220 1.00 0.00 ATOM 999 CB ARG A 122 60.559 23.291 19.626 1.00 0.00 ATOM 1000 CG ARG A 122 60.197 24.615 20.313 1.00 0.00 ATOM 1001 CD ARG A 122 58.906 25.228 19.735 1.00 0.00 ATOM 1002 NE ARG A 122 59.114 25.785 18.401 1.00 0.00 ATOM 1003 CZ ARG A 122 58.261 26.577 17.759 1.00 0.00 ATOM 1004 NH1 ARG A 122 57.112 26.930 18.316 1.00 0.00 ATOM 1005 NH2 ARG A 122 58.551 27.028 16.540 1.00 0.00 ATOM 1006 O ARG A 122 63.049 21.018 18.913 1.00 0.00 ATOM 1007 C ARG A 122 61.945 21.344 19.306 1.00 0.00 ATOM 1008 N PHE A 123 60.792 20.667 18.880 1.00 0.00 ATOM 1009 CA PHE A 123 60.808 19.576 17.980 1.00 0.00 ATOM 1010 CB PHE A 123 59.481 18.837 18.185 1.00 0.00 ATOM 1011 CG PHE A 123 59.494 17.415 17.698 1.00 0.00 ATOM 1012 CD1 PHE A 123 59.941 16.398 18.517 1.00 0.00 ATOM 1013 CD2 PHE A 123 59.073 17.103 16.404 1.00 0.00 ATOM 1014 CE1 PHE A 123 59.975 15.076 18.068 1.00 0.00 ATOM 1015 CE2 PHE A 123 59.100 15.791 15.942 1.00 0.00 ATOM 1016 CZ PHE A 123 59.553 14.777 16.775 1.00 0.00 ATOM 1017 O PHE A 123 60.811 21.280 16.284 1.00 0.00 ATOM 1018 C PHE A 123 60.994 20.073 16.532 1.00 0.00 ATOM 1019 N LEU A 124 61.458 19.198 15.605 1.00 0.00 ATOM 1020 CA LEU A 124 61.749 19.620 14.210 1.00 0.00 ATOM 1021 CB LEU A 124 62.007 18.230 13.437 1.00 0.00 ATOM 1022 CG LEU A 124 62.435 18.423 11.991 1.00 0.00 ATOM 1023 CD1 LEU A 124 63.711 19.269 11.927 1.00 0.00 ATOM 1024 CD2 LEU A 124 62.636 17.073 11.352 1.00 0.00 ATOM 1025 O LEU A 124 61.095 21.464 12.870 1.00 0.00 ATOM 1026 C LEU A 124 60.712 20.497 13.523 1.00 0.00 ATOM 1027 N PRO A 125 59.420 20.186 13.647 1.00 0.00 ATOM 1028 CA PRO A 125 58.395 21.006 12.994 1.00 0.00 ATOM 1029 CB PRO A 125 57.089 20.313 13.286 1.00 0.00 ATOM 1030 CG PRO A 125 57.370 19.511 14.525 1.00 0.00 ATOM 1031 CD PRO A 125 58.773 19.000 14.277 1.00 0.00 ATOM 1032 O PRO A 125 57.746 23.335 12.851 1.00 0.00 ATOM 1033 C PRO A 125 58.399 22.469 13.464 1.00 0.00 ATOM 1034 N SER A 126 59.100 22.736 14.561 1.00 0.00 ATOM 1035 CA SER A 126 59.169 24.093 15.101 1.00 0.00 ATOM 1036 CB SER A 126 59.371 23.746 16.782 1.00 0.00 ATOM 1037 OG SER A 126 60.789 23.711 16.813 1.00 0.00 ATOM 1038 O SER A 126 60.498 26.042 14.865 1.00 0.00 ATOM 1039 C SER A 126 60.354 24.860 14.576 1.00 0.00 ATOM 1040 N GLY A 127 61.321 24.070 13.955 1.00 0.00 ATOM 1041 CA GLY A 127 62.600 24.661 13.624 1.00 0.00 ATOM 1042 O GLY A 127 61.482 25.532 11.701 1.00 0.00 ATOM 1043 C GLY A 127 62.290 25.748 12.616 1.00 0.00 ATOM 1044 N ARG A 128 62.880 26.939 12.816 1.00 0.00 ATOM 1045 CA ARG A 128 62.619 28.057 11.922 1.00 0.00 ATOM 1046 CB ARG A 128 63.884 29.061 12.686 1.00 0.00 ATOM 1047 CG ARG A 128 63.975 29.250 14.218 1.00 0.00 ATOM 1048 CD ARG A 128 65.263 29.984 14.562 1.00 0.00 ATOM 1049 NE ARG A 128 66.362 29.246 13.967 1.00 0.00 ATOM 1050 CZ ARG A 128 67.594 29.704 13.786 1.00 0.00 ATOM 1051 NH1 ARG A 128 68.500 28.920 13.223 1.00 0.00 ATOM 1052 NH2 ARG A 128 67.927 30.933 14.164 1.00 0.00 ATOM 1053 O ARG A 128 62.319 28.290 9.545 1.00 0.00 ATOM 1054 C ARG A 128 62.959 27.761 10.452 1.00 0.00 ATOM 1055 N THR A 129 63.966 26.880 10.216 1.00 0.00 ATOM 1056 CA THR A 129 64.358 26.535 8.847 1.00 0.00 ATOM 1057 CB THR A 129 65.603 25.690 8.757 1.00 0.00 ATOM 1058 CG2 THR A 129 65.852 25.313 7.352 1.00 0.00 ATOM 1059 OG1 THR A 129 66.698 26.411 9.271 1.00 0.00 ATOM 1060 O THR A 129 62.705 26.284 7.123 1.00 0.00 ATOM 1061 C THR A 129 63.138 25.875 8.212 1.00 0.00 ATOM 1062 N LEU A 130 62.594 24.977 8.932 1.00 0.00 ATOM 1063 CA LEU A 130 61.460 24.245 8.419 1.00 0.00 ATOM 1064 CB LEU A 130 61.114 23.058 9.321 1.00 0.00 ATOM 1065 CG LEU A 130 61.999 21.820 9.137 1.00 0.00 ATOM 1066 CD1 LEU A 130 61.711 20.800 10.227 1.00 0.00 ATOM 1067 CD2 LEU A 130 61.735 21.216 7.762 1.00 0.00 ATOM 1068 O LEU A 130 59.544 25.133 7.298 1.00 0.00 ATOM 1069 C LEU A 130 60.224 25.150 8.319 1.00 0.00 ATOM 1070 N ASP A 131 59.933 25.888 9.386 1.00 0.00 ATOM 1071 CA ASP A 131 58.780 26.785 9.374 1.00 0.00 ATOM 1072 CB ASP A 131 58.710 27.554 10.697 1.00 0.00 ATOM 1073 CG ASP A 131 58.251 26.688 11.853 1.00 0.00 ATOM 1074 OD1 ASP A 131 57.762 25.568 11.594 1.00 0.00 ATOM 1075 OD2 ASP A 131 58.379 27.129 13.012 1.00 0.00 ATOM 1076 O ASP A 131 57.923 28.066 7.493 1.00 0.00 ATOM 1077 C ASP A 131 58.920 27.760 8.184 1.00 0.00 ATOM 1078 N SER A 132 60.139 28.246 7.918 1.00 0.00 ATOM 1079 CA SER A 132 60.355 29.222 6.841 1.00 0.00 ATOM 1080 CB SER A 132 61.756 29.787 6.898 1.00 0.00 ATOM 1081 OG SER A 132 61.884 30.611 8.043 1.00 0.00 ATOM 1082 O SER A 132 59.748 29.351 4.519 1.00 0.00 ATOM 1083 C SER A 132 60.105 28.630 5.445 1.00 0.00 ATOM 1084 N PHE A 133 60.249 27.310 5.307 1.00 0.00 ATOM 1085 CA PHE A 133 60.205 26.653 4.007 1.00 0.00 ATOM 1086 CB PHE A 133 61.625 25.885 3.859 1.00 0.00 ATOM 1087 CG PHE A 133 62.806 26.760 3.526 1.00 0.00 ATOM 1088 CD1 PHE A 133 62.886 27.405 2.288 1.00 0.00 ATOM 1089 CD2 PHE A 133 63.848 26.931 4.441 1.00 0.00 ATOM 1090 CE1 PHE A 133 63.990 28.210 1.966 1.00 0.00 ATOM 1091 CE2 PHE A 133 64.951 27.732 4.135 1.00 0.00 ATOM 1092 CZ PHE A 133 65.023 28.375 2.890 1.00 0.00 ATOM 1093 O PHE A 133 58.688 25.512 2.570 1.00 0.00 ATOM 1094 C PHE A 133 58.827 26.122 3.628 1.00 0.00 ATOM 1095 N PHE A 134 57.850 26.244 4.523 1.00 0.00 ATOM 1096 CA PHE A 134 56.522 25.669 4.280 1.00 0.00 ATOM 1097 CB PHE A 134 56.315 24.414 5.156 1.00 0.00 ATOM 1098 CG PHE A 134 57.164 23.225 4.768 1.00 0.00 ATOM 1099 CD1 PHE A 134 56.819 22.370 3.732 1.00 0.00 ATOM 1100 CD2 PHE A 134 58.335 22.956 5.441 1.00 0.00 ATOM 1101 CE1 PHE A 134 57.640 21.283 3.386 1.00 0.00 ATOM 1102 CE2 PHE A 134 59.110 21.884 5.112 1.00 0.00 ATOM 1103 CZ PHE A 134 58.786 21.043 4.071 1.00 0.00 ATOM 1104 O PHE A 134 55.436 27.494 5.363 1.00 0.00 ATOM 1105 C PHE A 134 55.412 26.695 4.434 1.00 0.00 ATOM 1106 N ASP A 135 54.387 26.565 3.594 1.00 0.00 ATOM 1107 CA ASP A 135 53.155 27.349 3.717 1.00 0.00 ATOM 1108 CB ASP A 135 52.255 27.123 2.500 1.00 0.00 ATOM 1109 CG ASP A 135 52.780 27.804 1.252 1.00 0.00 ATOM 1110 OD1 ASP A 135 53.697 28.643 1.373 1.00 0.00 ATOM 1111 OD2 ASP A 135 52.277 27.495 0.150 1.00 0.00 ATOM 1112 O ASP A 135 51.919 27.866 5.724 1.00 0.00 ATOM 1113 C ASP A 135 52.376 26.985 4.983 1.00 0.00 ATOM 1114 N LYS A 136 52.331 25.689 5.280 1.00 0.00 ATOM 1115 CA LYS A 136 51.654 25.189 6.460 1.00 0.00 ATOM 1116 CB LYS A 136 50.140 25.042 6.184 1.00 0.00 ATOM 1117 CG LYS A 136 49.342 24.632 7.421 1.00 0.00 ATOM 1118 CD LYS A 136 47.846 24.502 7.171 1.00 0.00 ATOM 1119 CE LYS A 136 47.152 24.015 8.443 1.00 0.00 ATOM 1120 NZ LYS A 136 45.721 23.645 8.261 1.00 0.00 ATOM 1121 O LYS A 136 52.666 23.029 6.119 1.00 0.00 ATOM 1122 C LYS A 136 52.246 23.852 6.929 1.00 0.00 ATOM 1123 N VAL A 137 52.294 23.677 8.222 1.00 0.00 ATOM 1124 CA VAL A 137 52.796 22.435 8.791 1.00 0.00 ATOM 1125 CB VAL A 137 53.896 22.689 9.851 1.00 0.00 ATOM 1126 CG1 VAL A 137 54.337 21.358 10.469 1.00 0.00 ATOM 1127 CG2 VAL A 137 55.104 23.405 9.205 1.00 0.00 ATOM 1128 O VAL A 137 51.062 22.159 10.445 1.00 0.00 ATOM 1129 C VAL A 137 51.625 21.695 9.437 1.00 0.00 ATOM 1130 N TYR A 138 51.281 20.542 8.852 1.00 0.00 ATOM 1131 CA TYR A 138 50.216 19.688 9.370 1.00 0.00 ATOM 1132 CB TYR A 138 49.462 18.904 8.300 1.00 0.00 ATOM 1133 CG TYR A 138 48.606 19.789 7.405 1.00 0.00 ATOM 1134 CD1 TYR A 138 49.138 20.374 6.284 1.00 0.00 ATOM 1135 CD2 TYR A 138 47.287 20.035 7.771 1.00 0.00 ATOM 1136 CE1 TYR A 138 48.354 21.190 5.463 1.00 0.00 ATOM 1137 CE2 TYR A 138 46.486 20.843 6.963 1.00 0.00 ATOM 1138 CZ TYR A 138 47.035 21.395 5.834 1.00 0.00 ATOM 1139 OH TYR A 138 46.250 22.210 5.029 1.00 0.00 ATOM 1140 O TYR A 138 51.764 17.961 9.968 1.00 0.00 ATOM 1141 C TYR A 138 50.817 18.665 10.334 1.00 0.00 ATOM 1142 N ALA A 139 50.328 18.667 11.554 1.00 0.00 ATOM 1143 CA ALA A 139 50.821 17.713 12.551 1.00 0.00 ATOM 1144 CB ALA A 139 51.325 18.437 13.792 1.00 0.00 ATOM 1145 O ALA A 139 48.596 17.303 13.341 1.00 0.00 ATOM 1146 C ALA A 139 49.704 16.826 13.079 1.00 0.00 ATOM 1147 N SER A 140 49.993 15.537 13.171 1.00 0.00 ATOM 1148 CA SER A 140 49.026 14.542 13.609 1.00 0.00 ATOM 1149 CB SER A 140 49.700 13.159 13.663 1.00 0.00 ATOM 1150 OG SER A 140 50.800 13.165 14.553 1.00 0.00 ATOM 1151 O SER A 140 47.157 14.706 15.141 1.00 0.00 ATOM 1152 C SER A 140 48.365 14.940 14.937 1.00 0.00 ATOM 1153 N CYS A 141 49.173 15.450 15.868 1.00 0.00 ATOM 1154 CA CYS A 141 48.680 15.841 17.201 1.00 0.00 ATOM 1155 CB CYS A 141 49.841 16.284 18.092 1.00 0.00 ATOM 1156 SG CYS A 141 50.985 14.960 18.546 1.00 0.00 ATOM 1157 O CYS A 141 46.572 16.824 17.725 1.00 0.00 ATOM 1158 C CYS A 141 47.630 16.918 17.071 1.00 0.00 ATOM 1159 N GLN A 142 47.857 17.935 16.216 1.00 0.00 ATOM 1160 CA GLN A 142 46.862 19.013 16.050 1.00 0.00 ATOM 1161 CB GLN A 142 47.460 20.124 15.185 1.00 0.00 ATOM 1162 CG GLN A 142 48.620 20.861 15.837 1.00 0.00 ATOM 1163 CD GLN A 142 49.234 21.906 14.924 1.00 0.00 ATOM 1164 OE1 GLN A 142 48.821 22.056 13.774 1.00 0.00 ATOM 1165 NE2 GLN A 142 50.218 22.630 15.438 1.00 0.00 ATOM 1166 O GLN A 142 44.479 19.056 15.726 1.00 0.00 ATOM 1167 C GLN A 142 45.563 18.568 15.390 1.00 0.00 ATOM 1168 N MET A 143 45.806 17.658 14.364 1.00 0.00 ATOM 1169 CA MET A 143 44.683 17.188 13.560 1.00 0.00 ATOM 1170 CB MET A 143 45.244 16.853 12.113 1.00 0.00 ATOM 1171 CG MET A 143 45.511 18.025 11.236 1.00 0.00 ATOM 1172 SD MET A 143 45.959 17.412 9.631 1.00 0.00 ATOM 1173 CE MET A 143 47.554 16.998 10.027 1.00 0.00 ATOM 1174 O MET A 143 42.673 15.899 13.868 1.00 0.00 ATOM 1175 C MET A 143 43.829 16.110 14.241 1.00 0.00 ATOM 1176 N GLY A 144 44.412 15.408 15.209 1.00 0.00 ATOM 1177 CA GLY A 144 43.729 14.287 15.854 1.00 0.00 ATOM 1178 O GLY A 144 42.878 12.175 15.122 1.00 0.00 ATOM 1179 C GLY A 144 43.711 13.071 14.953 1.00 0.00 ATOM 1180 N LYS A 145 44.636 13.047 13.992 1.00 0.00 ATOM 1181 CA LYS A 145 44.721 11.987 12.967 1.00 0.00 ATOM 1182 CB LYS A 145 44.022 12.427 11.693 1.00 0.00 ATOM 1183 CG LYS A 145 42.505 12.542 11.837 1.00 0.00 ATOM 1184 CD LYS A 145 41.887 11.211 12.250 1.00 0.00 ATOM 1185 CE LYS A 145 40.378 11.322 12.432 1.00 0.00 ATOM 1186 NZ LYS A 145 39.685 11.695 11.165 1.00 0.00 ATOM 1187 O LYS A 145 47.060 12.567 13.012 1.00 0.00 ATOM 1188 C LYS A 145 46.205 11.724 12.724 1.00 0.00 ATOM 1189 N TYR A 146 46.517 10.501 12.224 1.00 0.00 ATOM 1190 CA TYR A 146 47.883 10.108 11.900 1.00 0.00 ATOM 1191 CB TYR A 146 48.551 9.542 13.178 1.00 0.00 ATOM 1192 CG TYR A 146 47.804 8.372 13.805 1.00 0.00 ATOM 1193 CD1 TYR A 146 46.632 8.573 14.545 1.00 0.00 ATOM 1194 CD2 TYR A 146 48.274 7.067 13.666 1.00 0.00 ATOM 1195 CE1 TYR A 146 45.953 7.496 15.133 1.00 0.00 ATOM 1196 CE2 TYR A 146 47.603 5.988 14.250 1.00 0.00 ATOM 1197 CZ TYR A 146 46.445 6.208 14.980 1.00 0.00 ATOM 1198 OH TYR A 146 45.788 5.138 15.553 1.00 0.00 ATOM 1199 O TYR A 146 47.124 8.434 10.384 1.00 0.00 ATOM 1200 C TYR A 146 47.986 9.281 10.635 1.00 0.00 ATOM 1201 N LYS A 147 49.033 9.513 9.844 1.00 0.00 ATOM 1202 CA LYS A 147 49.362 8.584 8.763 1.00 0.00 ATOM 1203 CB LYS A 147 50.669 8.983 8.074 1.00 0.00 ATOM 1204 CG LYS A 147 50.595 10.302 7.322 1.00 0.00 ATOM 1205 CD LYS A 147 51.860 10.546 6.516 1.00 0.00 ATOM 1206 CE LYS A 147 53.031 10.903 7.419 1.00 0.00 ATOM 1207 NZ LYS A 147 54.273 11.170 6.640 1.00 0.00 ATOM 1208 O LYS A 147 49.888 7.061 10.464 1.00 0.00 ATOM 1209 C LYS A 147 49.460 7.162 9.308 1.00 0.00 ATOM 1210 N PRO A 148 49.062 6.019 8.544 1.00 0.00 ATOM 1211 CA PRO A 148 48.550 6.163 7.186 1.00 0.00 ATOM 1212 CB PRO A 148 48.948 4.848 6.514 1.00 0.00 ATOM 1213 CG PRO A 148 48.961 3.863 7.618 1.00 0.00 ATOM 1214 CD PRO A 148 49.107 4.600 8.922 1.00 0.00 ATOM 1215 O PRO A 148 46.498 5.727 6.015 1.00 0.00 ATOM 1216 C PRO A 148 47.021 6.276 6.991 1.00 0.00 ATOM 1217 N ASN A 149 46.323 6.892 7.940 1.00 0.00 ATOM 1218 CA ASN A 149 44.862 7.005 7.905 1.00 0.00 ATOM 1219 CB ASN A 149 44.340 7.659 9.184 1.00 0.00 ATOM 1220 CG ASN A 149 44.453 6.756 10.392 1.00 0.00 ATOM 1221 ND2 ASN A 149 44.402 7.344 11.580 1.00 0.00 ATOM 1222 OD1 ASN A 149 44.586 5.537 10.258 1.00 0.00 ATOM 1223 O ASN A 149 45.009 8.960 6.515 1.00 0.00 ATOM 1224 C ASN A 149 44.427 7.899 6.750 1.00 0.00 ATOM 1225 N GLU A 150 43.408 7.501 5.963 1.00 0.00 ATOM 1226 CA GLU A 150 42.879 8.186 4.790 1.00 0.00 ATOM 1227 CB GLU A 150 41.681 7.395 4.267 1.00 0.00 ATOM 1228 CG GLU A 150 42.052 6.092 3.574 1.00 0.00 ATOM 1229 CD GLU A 150 40.836 5.297 3.136 1.00 0.00 ATOM 1230 OE1 GLU A 150 39.704 5.726 3.446 1.00 0.00 ATOM 1231 OE2 GLU A 150 41.018 4.249 2.483 1.00 0.00 ATOM 1232 O GLU A 150 42.397 10.493 4.320 1.00 0.00 ATOM 1233 C GLU A 150 42.340 9.575 5.121 1.00 0.00 ATOM 1234 N ASP A 151 41.795 9.689 6.316 1.00 0.00 ATOM 1235 CA ASP A 151 41.210 10.953 6.732 1.00 0.00 ATOM 1236 CB ASP A 151 40.617 10.823 8.136 1.00 0.00 ATOM 1237 CG ASP A 151 39.323 10.030 8.149 1.00 0.00 ATOM 1238 OD1 ASP A 151 38.764 9.788 7.059 1.00 0.00 ATOM 1239 OD2 ASP A 151 38.867 9.657 9.250 1.00 0.00 ATOM 1240 O ASP A 151 41.829 13.251 6.432 1.00 0.00 ATOM 1241 C ASP A 151 42.181 12.129 6.790 1.00 0.00 ATOM 1242 N ILE A 152 43.474 11.886 7.136 1.00 0.00 ATOM 1243 CA ILE A 152 44.482 12.935 7.221 1.00 0.00 ATOM 1244 CB ILE A 152 45.785 12.458 7.832 1.00 0.00 ATOM 1245 CG1 ILE A 152 46.669 13.658 8.176 1.00 0.00 ATOM 1246 CG2 ILE A 152 46.495 11.468 6.924 1.00 0.00 ATOM 1247 CD1 ILE A 152 47.840 13.314 9.085 1.00 0.00 ATOM 1248 O ILE A 152 44.904 14.734 5.683 1.00 0.00 ATOM 1249 C ILE A 152 44.825 13.512 5.850 1.00 0.00 ATOM 1250 N PHE A 153 45.002 12.651 4.847 1.00 0.00 ATOM 1251 CA PHE A 153 45.274 13.119 3.493 1.00 0.00 ATOM 1252 CB PHE A 153 45.532 11.945 2.543 1.00 0.00 ATOM 1253 CG PHE A 153 46.828 11.218 2.805 1.00 0.00 ATOM 1254 CD1 PHE A 153 47.103 10.008 2.174 1.00 0.00 ATOM 1255 CD2 PHE A 153 47.800 11.772 3.620 1.00 0.00 ATOM 1256 CE1 PHE A 153 48.349 9.354 2.356 1.00 0.00 ATOM 1257 CE2 PHE A 153 49.045 11.133 3.815 1.00 0.00 ATOM 1258 CZ PHE A 153 49.321 9.925 3.179 1.00 0.00 ATOM 1259 O PHE A 153 44.238 14.949 2.312 1.00 0.00 ATOM 1260 C PHE A 153 44.070 13.923 2.952 1.00 0.00 ATOM 1261 N LEU A 154 42.840 13.435 3.194 1.00 0.00 ATOM 1262 CA LEU A 154 41.665 14.142 2.737 1.00 0.00 ATOM 1263 CB LEU A 154 40.379 13.371 3.029 1.00 0.00 ATOM 1264 CG LEU A 154 40.206 12.232 2.018 1.00 0.00 ATOM 1265 CD1 LEU A 154 39.184 11.203 2.533 1.00 0.00 ATOM 1266 CD2 LEU A 154 39.740 12.796 0.671 1.00 0.00 ATOM 1267 O LEU A 154 41.091 16.459 2.810 1.00 0.00 ATOM 1268 C LEU A 154 41.539 15.508 3.406 1.00 0.00 ATOM 1269 N GLU A 155 41.930 15.569 4.691 1.00 0.00 ATOM 1270 CA GLU A 155 41.926 16.818 5.441 1.00 0.00 ATOM 1271 CB GLU A 155 42.412 16.609 6.877 1.00 0.00 ATOM 1272 CG GLU A 155 41.404 15.906 7.775 1.00 0.00 ATOM 1273 CD GLU A 155 40.108 16.680 7.909 1.00 0.00 ATOM 1274 OE1 GLU A 155 40.165 17.880 8.257 1.00 0.00 ATOM 1275 OE2 GLU A 155 39.036 16.090 7.666 1.00 0.00 ATOM 1276 O GLU A 155 42.490 18.994 4.568 1.00 0.00 ATOM 1277 C GLU A 155 42.854 17.836 4.772 1.00 0.00 ATOM 1278 N MET A 156 44.083 17.404 4.399 1.00 0.00 ATOM 1279 CA MET A 156 45.036 18.296 3.751 1.00 0.00 ATOM 1280 CB MET A 156 46.357 17.561 3.520 1.00 0.00 ATOM 1281 CG MET A 156 47.423 18.401 2.832 1.00 0.00 ATOM 1282 SD MET A 156 47.219 18.454 1.042 1.00 0.00 ATOM 1283 CE MET A 156 47.702 16.787 0.595 1.00 0.00 ATOM 1284 O MET A 156 44.622 19.955 2.043 1.00 0.00 ATOM 1285 C MET A 156 44.541 18.764 2.392 1.00 0.00 ATOM 1286 N ILE A 157 43.988 17.842 1.568 1.00 0.00 ATOM 1287 CA ILE A 157 43.451 18.191 0.258 1.00 0.00 ATOM 1288 CB ILE A 157 42.913 16.906 -0.482 1.00 0.00 ATOM 1289 CG1 ILE A 157 44.090 16.046 -0.972 1.00 0.00 ATOM 1290 CG2 ILE A 157 42.043 17.279 -1.702 1.00 0.00 ATOM 1291 CD1 ILE A 157 45.108 16.837 -1.781 1.00 0.00 ATOM 1292 O ILE A 157 42.329 20.202 -0.407 1.00 0.00 ATOM 1293 C ILE A 157 42.332 19.233 0.348 1.00 0.00 ATOM 1294 N ALA A 158 41.416 19.045 1.299 1.00 0.00 ATOM 1295 CA ALA A 158 40.302 19.977 1.518 1.00 0.00 ATOM 1296 CB ALA A 158 39.342 19.420 2.557 1.00 0.00 ATOM 1297 O ALA A 158 40.299 22.371 1.551 1.00 0.00 ATOM 1298 C ALA A 158 40.762 21.338 2.030 1.00 0.00 ATOM 1299 N ASP A 159 41.679 21.334 2.992 1.00 0.00 ATOM 1300 CA ASP A 159 42.191 22.577 3.573 1.00 0.00 ATOM 1301 CB ASP A 159 43.144 22.333 4.705 1.00 0.00 ATOM 1302 CG ASP A 159 42.417 21.944 5.978 1.00 0.00 ATOM 1303 OD1 ASP A 159 41.222 22.327 6.141 1.00 0.00 ATOM 1304 OD2 ASP A 159 43.055 21.282 6.828 1.00 0.00 ATOM 1305 O ASP A 159 42.818 24.640 2.479 1.00 0.00 ATOM 1306 C ASP A 159 42.948 23.410 2.538 1.00 0.00 ATOM 1307 N SER A 160 43.742 22.773 1.724 1.00 0.00 ATOM 1308 CA SER A 160 44.564 23.449 0.723 1.00 0.00 ATOM 1309 CB SER A 160 45.772 22.584 0.353 1.00 0.00 ATOM 1310 OG SER A 160 45.365 21.397 -0.310 1.00 0.00 ATOM 1311 O SER A 160 44.213 24.460 -1.419 1.00 0.00 ATOM 1312 C SER A 160 43.774 23.697 -0.561 1.00 0.00 ATOM 1313 N GLY A 161 42.633 23.006 -0.744 1.00 0.00 ATOM 1314 CA GLY A 161 41.894 23.191 -1.960 1.00 0.00 ATOM 1315 O GLY A 161 42.685 23.371 -4.209 1.00 0.00 ATOM 1316 C GLY A 161 42.555 22.655 -3.216 1.00 0.00 ATOM 1317 N MET A 162 43.000 21.402 -3.164 1.00 0.00 ATOM 1318 CA MET A 162 43.672 20.766 -4.294 1.00 0.00 ATOM 1319 CB MET A 162 45.145 21.322 -4.334 1.00 0.00 ATOM 1320 CG MET A 162 45.315 22.757 -4.791 1.00 0.00 ATOM 1321 SD MET A 162 47.024 23.261 -4.742 1.00 0.00 ATOM 1322 CE MET A 162 47.713 22.314 -6.073 1.00 0.00 ATOM 1323 O MET A 162 43.554 18.469 -3.654 1.00 0.00 ATOM 1324 C MET A 162 43.284 19.313 -4.504 1.00 0.00 ATOM 1325 N LYS A 163 42.891 18.995 -5.730 1.00 0.00 ATOM 1326 CA LYS A 163 42.522 17.634 -6.069 1.00 0.00 ATOM 1327 CB LYS A 163 41.980 17.572 -7.500 1.00 0.00 ATOM 1328 CG LYS A 163 40.696 18.357 -7.711 1.00 0.00 ATOM 1329 CD LYS A 163 40.227 18.271 -9.156 1.00 0.00 ATOM 1330 CE LYS A 163 38.932 19.036 -9.359 1.00 0.00 ATOM 1331 NZ LYS A 163 38.475 18.986 -10.777 1.00 0.00 ATOM 1332 O LYS A 163 44.828 17.063 -6.214 1.00 0.00 ATOM 1333 C LYS A 163 43.682 16.657 -6.105 1.00 0.00 ATOM 1334 N PRO A 164 43.440 15.273 -5.939 1.00 0.00 ATOM 1335 CA PRO A 164 44.525 14.284 -5.880 1.00 0.00 ATOM 1336 CB PRO A 164 43.772 12.959 -5.837 1.00 0.00 ATOM 1337 CG PRO A 164 42.505 13.323 -5.115 1.00 0.00 ATOM 1338 CD PRO A 164 42.122 14.657 -5.697 1.00 0.00 ATOM 1339 O PRO A 164 46.701 14.245 -6.889 1.00 0.00 ATOM 1340 C PRO A 164 45.484 14.368 -7.077 1.00 0.00 ATOM 1341 N GLU A 165 44.957 14.564 -8.290 1.00 0.00 ATOM 1342 CA GLU A 165 45.812 14.588 -9.486 1.00 0.00 ATOM 1343 CB GLU A 165 44.953 14.607 -10.752 1.00 0.00 ATOM 1344 CG GLU A 165 44.187 13.318 -11.005 1.00 0.00 ATOM 1345 CD GLU A 165 43.294 13.402 -12.223 1.00 0.00 ATOM 1346 OE1 GLU A 165 43.242 14.482 -12.849 1.00 0.00 ATOM 1347 OE2 GLU A 165 42.643 12.386 -12.555 1.00 0.00 ATOM 1348 O GLU A 165 47.887 15.678 -9.962 1.00 0.00 ATOM 1349 C GLU A 165 46.779 15.763 -9.430 1.00 0.00 ATOM 1350 N GLU A 166 46.406 16.841 -8.722 1.00 0.00 ATOM 1351 CA GLU A 166 47.268 18.014 -8.610 1.00 0.00 ATOM 1352 CB GLU A 166 46.444 19.285 -8.787 1.00 0.00 ATOM 1353 CG GLU A 166 45.612 19.272 -10.072 1.00 0.00 ATOM 1354 CD GLU A 166 45.106 20.692 -10.319 1.00 0.00 ATOM 1355 OE1 GLU A 166 45.943 21.436 -10.894 1.00 0.00 ATOM 1356 OE2 GLU A 166 43.957 21.038 -9.970 1.00 0.00 ATOM 1357 O GLU A 166 49.017 18.877 -7.178 1.00 0.00 ATOM 1358 C GLU A 166 48.258 17.930 -7.437 1.00 0.00 ATOM 1359 N THR A 167 48.320 16.758 -6.805 1.00 0.00 ATOM 1360 CA THR A 167 49.106 16.561 -5.588 1.00 0.00 ATOM 1361 CB THR A 167 48.207 16.050 -4.449 1.00 0.00 ATOM 1362 CG2 THR A 167 49.012 15.862 -3.173 1.00 0.00 ATOM 1363 OG1 THR A 167 47.158 16.997 -4.201 1.00 0.00 ATOM 1364 O THR A 167 49.971 14.407 -6.162 1.00 0.00 ATOM 1365 C THR A 167 50.210 15.530 -5.716 1.00 0.00 ATOM 1366 N LEU A 168 51.390 15.874 -5.184 1.00 0.00 ATOM 1367 CA LEU A 168 52.555 15.005 -5.184 1.00 0.00 ATOM 1368 CB LEU A 168 53.759 15.665 -5.847 1.00 0.00 ATOM 1369 CG LEU A 168 53.552 15.994 -7.323 1.00 0.00 ATOM 1370 CD1 LEU A 168 54.692 16.784 -7.922 1.00 0.00 ATOM 1371 CD2 LEU A 168 53.332 14.734 -8.178 1.00 0.00 ATOM 1372 O LEU A 168 52.817 15.759 -2.911 1.00 0.00 ATOM 1373 C LEU A 168 52.948 14.837 -3.719 1.00 0.00 ATOM 1374 N PHE A 169 53.255 13.588 -3.318 1.00 0.00 ATOM 1375 CA PHE A 169 53.516 13.247 -1.926 1.00 0.00 ATOM 1376 CB PHE A 169 52.353 12.456 -1.326 1.00 0.00 ATOM 1377 CG PHE A 169 52.556 12.082 0.118 1.00 0.00 ATOM 1378 CD1 PHE A 169 52.388 13.024 1.120 1.00 0.00 ATOM 1379 CD2 PHE A 169 52.913 10.795 0.472 1.00 0.00 ATOM 1380 CE1 PHE A 169 52.573 12.686 2.446 1.00 0.00 ATOM 1381 CE2 PHE A 169 53.098 10.455 1.798 1.00 0.00 ATOM 1382 CZ PHE A 169 52.931 11.394 2.782 1.00 0.00 ATOM 1383 O PHE A 169 54.861 11.343 -2.401 1.00 0.00 ATOM 1384 C PHE A 169 54.768 12.413 -1.809 1.00 0.00 ATOM 1385 N ILE A 170 55.631 12.954 -0.942 1.00 0.00 ATOM 1386 CA ILE A 170 56.947 12.345 -0.739 1.00 0.00 ATOM 1387 CB ILE A 170 58.036 13.388 -0.870 1.00 0.00 ATOM 1388 CG1 ILE A 170 58.010 13.923 -2.304 1.00 0.00 ATOM 1389 CG2 ILE A 170 59.371 12.726 -0.544 1.00 0.00 ATOM 1390 CD1 ILE A 170 58.002 12.835 -3.388 1.00 0.00 ATOM 1391 O ILE A 170 57.004 12.417 1.665 1.00 0.00 ATOM 1392 C ILE A 170 57.074 11.724 0.649 1.00 0.00 ATOM 1393 N ASP A 171 57.261 10.395 0.679 1.00 0.00 ATOM 1394 CA ASP A 171 57.445 9.708 1.947 1.00 0.00 ATOM 1395 CB ASP A 171 56.023 9.356 2.382 1.00 0.00 ATOM 1396 CG ASP A 171 55.941 8.966 3.846 1.00 0.00 ATOM 1397 OD1 ASP A 171 56.466 7.889 4.204 1.00 0.00 ATOM 1398 OD2 ASP A 171 55.352 9.735 4.632 1.00 0.00 ATOM 1399 O ASP A 171 58.052 7.720 0.729 1.00 0.00 ATOM 1400 C ASP A 171 58.204 8.366 1.759 1.00 0.00 ATOM 1401 N ASP A 172 59.041 8.053 2.672 1.00 0.00 ATOM 1402 CA ASP A 172 59.794 6.801 2.640 1.00 0.00 ATOM 1403 CB ASP A 172 60.897 6.938 3.767 1.00 0.00 ATOM 1404 CG ASP A 172 60.314 7.146 5.095 1.00 0.00 ATOM 1405 OD1 ASP A 172 59.408 7.963 5.373 1.00 0.00 ATOM 1406 OD2 ASP A 172 60.752 6.398 5.982 1.00 0.00 ATOM 1407 O ASP A 172 59.307 4.567 2.265 1.00 0.00 ATOM 1408 C ASP A 172 59.032 5.590 2.888 1.00 0.00 ATOM 1409 N GLY A 173 58.043 5.755 3.852 1.00 0.00 ATOM 1410 CA GLY A 173 57.182 4.691 4.291 1.00 0.00 ATOM 1411 O GLY A 173 55.484 4.875 2.586 1.00 0.00 ATOM 1412 C GLY A 173 56.253 4.136 3.202 1.00 0.00 ATOM 1413 N PRO A 174 56.385 2.837 2.933 1.00 0.00 ATOM 1414 CA PRO A 174 55.640 2.176 1.853 1.00 0.00 ATOM 1415 CB PRO A 174 56.168 0.741 1.860 1.00 0.00 ATOM 1416 CG PRO A 174 57.564 0.856 2.371 1.00 0.00 ATOM 1417 CD PRO A 174 57.531 1.916 3.437 1.00 0.00 ATOM 1418 O PRO A 174 53.365 2.418 1.143 1.00 0.00 ATOM 1419 C PRO A 174 54.132 2.213 2.086 1.00 0.00 ATOM 1420 N ALA A 175 53.696 1.977 3.344 1.00 0.00 ATOM 1421 CA ALA A 175 52.269 2.003 3.651 1.00 0.00 ATOM 1422 CB ALA A 175 52.056 1.677 5.120 1.00 0.00 ATOM 1423 O ALA A 175 50.595 3.524 2.870 1.00 0.00 ATOM 1424 C ALA A 175 51.710 3.393 3.370 1.00 0.00 ATOM 1425 N ASN A 176 52.491 4.406 3.685 1.00 0.00 ATOM 1426 CA ASN A 176 52.055 5.782 3.453 1.00 0.00 ATOM 1427 CB ASN A 176 53.086 6.771 4.005 1.00 0.00 ATOM 1428 CG ASN A 176 53.047 6.867 5.519 1.00 0.00 ATOM 1429 ND2 ASN A 176 54.132 7.361 6.105 1.00 0.00 ATOM 1430 OD1 ASN A 176 52.056 6.506 6.147 1.00 0.00 ATOM 1431 O ASN A 176 50.946 6.635 1.486 1.00 0.00 ATOM 1432 C ASN A 176 51.904 6.005 1.952 1.00 0.00 ATOM 1433 N VAL A 177 52.871 5.485 1.174 1.00 0.00 ATOM 1434 CA VAL A 177 52.848 5.623 -0.278 1.00 0.00 ATOM 1435 CB VAL A 177 54.206 5.041 -0.885 1.00 0.00 ATOM 1436 CG1 VAL A 177 54.104 4.987 -2.418 1.00 0.00 ATOM 1437 CG2 VAL A 177 55.417 5.912 -0.482 1.00 0.00 ATOM 1438 O VAL A 177 50.962 5.429 -1.748 1.00 0.00 ATOM 1439 C VAL A 177 51.633 4.903 -0.861 1.00 0.00 ATOM 1440 N ALA A 178 51.337 3.689 -0.367 1.00 0.00 ATOM 1441 CA ALA A 178 50.200 2.904 -0.835 1.00 0.00 ATOM 1442 CB ALA A 178 50.236 1.531 -0.234 1.00 0.00 ATOM 1443 O ALA A 178 47.941 3.564 -1.352 1.00 0.00 ATOM 1444 C ALA A 178 48.865 3.593 -0.530 1.00 0.00 ATOM 1445 N THR A 179 48.767 4.204 0.650 1.00 0.00 ATOM 1446 CA THR A 179 47.559 4.907 1.079 1.00 0.00 ATOM 1447 CB THR A 179 47.679 5.404 2.533 1.00 0.00 ATOM 1448 CG2 THR A 179 46.439 6.193 2.926 1.00 0.00 ATOM 1449 OG1 THR A 179 47.818 4.283 3.412 1.00 0.00 ATOM 1450 O THR A 179 46.139 6.238 -0.332 1.00 0.00 ATOM 1451 C THR A 179 47.273 6.085 0.157 1.00 0.00 ATOM 1452 N ALA A 180 48.269 6.955 -0.104 1.00 0.00 ATOM 1453 CA ALA A 180 48.093 8.088 -1.000 1.00 0.00 ATOM 1454 CB ALA A 180 49.358 8.931 -1.023 1.00 0.00 ATOM 1455 O ALA A 180 47.047 8.252 -3.152 1.00 0.00 ATOM 1456 C ALA A 180 47.821 7.625 -2.425 1.00 0.00 ATOM 1457 N GLU A 181 48.445 6.515 -2.867 1.00 0.00 ATOM 1458 CA GLU A 181 48.254 6.002 -4.221 1.00 0.00 ATOM 1459 CB GLU A 181 49.073 4.724 -4.403 1.00 0.00 ATOM 1460 CG GLU A 181 48.938 4.089 -5.777 1.00 0.00 ATOM 1461 CD GLU A 181 49.813 2.862 -5.942 1.00 0.00 ATOM 1462 OE1 GLU A 181 50.542 2.521 -4.988 1.00 0.00 ATOM 1463 OE2 GLU A 181 49.770 2.242 -7.026 1.00 0.00 ATOM 1464 O GLU A 181 46.248 5.803 -5.515 1.00 0.00 ATOM 1465 C GLU A 181 46.798 5.596 -4.431 1.00 0.00 ATOM 1466 N ARG A 182 46.168 5.002 -3.400 1.00 0.00 ATOM 1467 CA ARG A 182 44.775 4.580 -3.521 1.00 0.00 ATOM 1468 CB ARG A 182 44.334 3.942 -2.201 1.00 0.00 ATOM 1469 CG ARG A 182 44.973 2.592 -1.920 1.00 0.00 ATOM 1470 CD ARG A 182 44.541 2.047 -0.569 1.00 0.00 ATOM 1471 NE ARG A 182 45.207 0.787 -0.248 1.00 0.00 ATOM 1472 CZ ARG A 182 45.200 0.224 0.956 1.00 0.00 ATOM 1473 NH1 ARG A 182 45.833 -0.925 1.155 1.00 0.00 ATOM 1474 NH2 ARG A 182 44.563 0.811 1.958 1.00 0.00 ATOM 1475 O ARG A 182 42.779 5.537 -4.404 1.00 0.00 ATOM 1476 C ARG A 182 43.854 5.757 -3.805 1.00 0.00 ATOM 1477 N LEU A 183 44.217 6.948 -3.407 1.00 0.00 ATOM 1478 CA LEU A 183 43.435 8.147 -3.683 1.00 0.00 ATOM 1479 CB LEU A 183 43.522 9.082 -2.464 1.00 0.00 ATOM 1480 CG LEU A 183 42.967 8.526 -1.144 1.00 0.00 ATOM 1481 CD1 LEU A 183 43.315 9.447 0.009 1.00 0.00 ATOM 1482 CD2 LEU A 183 41.444 8.369 -1.264 1.00 0.00 ATOM 1483 O LEU A 183 43.219 9.874 -5.329 1.00 0.00 ATOM 1484 C LEU A 183 43.818 8.861 -4.971 1.00 0.00 ATOM 1485 N GLY A 184 44.814 8.319 -5.665 1.00 0.00 ATOM 1486 CA GLY A 184 45.281 8.896 -6.928 1.00 0.00 ATOM 1487 O GLY A 184 46.619 10.699 -7.737 1.00 0.00 ATOM 1488 C GLY A 184 46.286 10.028 -6.757 1.00 0.00 ATOM 1489 N PHE A 185 46.893 10.115 -5.575 1.00 0.00 ATOM 1490 CA PHE A 185 47.991 11.050 -5.340 1.00 0.00 ATOM 1491 CB PHE A 185 48.341 11.077 -3.872 1.00 0.00 ATOM 1492 CG PHE A 185 47.352 11.859 -3.077 1.00 0.00 ATOM 1493 CD1 PHE A 185 46.617 11.257 -2.065 1.00 0.00 ATOM 1494 CD2 PHE A 185 47.140 13.206 -3.352 1.00 0.00 ATOM 1495 CE1 PHE A 185 45.688 11.987 -1.331 1.00 0.00 ATOM 1496 CE2 PHE A 185 46.217 13.939 -2.628 1.00 0.00 ATOM 1497 CZ PHE A 185 45.486 13.332 -1.615 1.00 0.00 ATOM 1498 O PHE A 185 49.378 9.274 -6.159 1.00 0.00 ATOM 1499 C PHE A 185 49.233 10.481 -6.024 1.00 0.00 ATOM 1500 N HIS A 186 50.095 11.362 -6.516 1.00 0.00 ATOM 1501 CA HIS A 186 51.354 10.938 -7.123 1.00 0.00 ATOM 1502 CB HIS A 186 51.900 11.986 -8.093 1.00 0.00 ATOM 1503 CG HIS A 186 51.135 12.081 -9.374 1.00 0.00 ATOM 1504 CD2 HIS A 186 50.085 11.303 -10.017 1.00 0.00 ATOM 1505 ND1 HIS A 186 51.341 13.087 -10.293 1.00 0.00 ATOM 1506 CE1 HIS A 186 50.512 12.907 -11.335 1.00 0.00 ATOM 1507 NE2 HIS A 186 49.755 11.837 -11.176 1.00 0.00 ATOM 1508 O HIS A 186 52.938 11.781 -5.513 1.00 0.00 ATOM 1509 C HIS A 186 52.397 10.788 -6.013 1.00 0.00 ATOM 1510 N THR A 187 52.659 9.543 -5.630 1.00 0.00 ATOM 1511 CA THR A 187 53.422 9.259 -4.431 1.00 0.00 ATOM 1512 CB THR A 187 52.678 8.240 -3.496 1.00 0.00 ATOM 1513 CG2 THR A 187 53.441 8.027 -2.233 1.00 0.00 ATOM 1514 OG1 THR A 187 51.395 8.819 -3.200 1.00 0.00 ATOM 1515 O THR A 187 54.881 7.694 -5.515 1.00 0.00 ATOM 1516 C THR A 187 54.776 8.677 -4.779 1.00 0.00 ATOM 1517 N TYR A 188 55.810 9.295 -4.209 1.00 0.00 ATOM 1518 CA TYR A 188 57.187 8.895 -4.437 1.00 0.00 ATOM 1519 CB TYR A 188 58.014 10.119 -4.904 1.00 0.00 ATOM 1520 CG TYR A 188 57.532 10.697 -6.234 1.00 0.00 ATOM 1521 CD1 TYR A 188 56.477 11.601 -6.315 1.00 0.00 ATOM 1522 CD2 TYR A 188 58.201 10.357 -7.399 1.00 0.00 ATOM 1523 CE1 TYR A 188 56.083 12.116 -7.575 1.00 0.00 ATOM 1524 CE2 TYR A 188 57.865 10.877 -8.675 1.00 0.00 ATOM 1525 CZ TYR A 188 56.771 11.712 -8.668 1.00 0.00 ATOM 1526 OH TYR A 188 56.463 12.205 -9.955 1.00 0.00 ATOM 1527 O TYR A 188 57.280 8.714 -2.018 1.00 0.00 ATOM 1528 C TYR A 188 57.602 8.229 -3.164 1.00 0.00 ATOM 1529 N CYS A 189 58.303 7.068 -3.288 1.00 0.00 ATOM 1530 CA CYS A 189 58.836 6.403 -2.101 1.00 0.00 ATOM 1531 CB CYS A 189 58.686 4.889 -2.242 1.00 0.00 ATOM 1532 SG CYS A 189 59.271 3.934 -0.842 1.00 0.00 ATOM 1533 O CYS A 189 61.186 6.328 -2.559 1.00 0.00 ATOM 1534 C CYS A 189 60.289 6.815 -1.867 1.00 0.00 ATOM 1535 N PRO A 190 60.491 7.700 -0.850 1.00 0.00 ATOM 1536 CA PRO A 190 61.880 8.054 -0.526 1.00 0.00 ATOM 1537 CB PRO A 190 62.024 9.354 -0.137 1.00 0.00 ATOM 1538 CG PRO A 190 60.653 9.952 -0.032 1.00 0.00 ATOM 1539 CD PRO A 190 59.918 9.263 -1.137 1.00 0.00 ATOM 1540 O PRO A 190 62.561 6.337 1.000 1.00 0.00 ATOM 1541 C PRO A 190 62.758 6.898 -0.080 1.00 0.00 ATOM 1542 N ASP A 191 63.679 6.504 -0.949 1.00 0.00 ATOM 1543 CA ASP A 191 64.530 5.350 -0.698 1.00 0.00 ATOM 1544 CB ASP A 191 64.989 4.733 -2.022 1.00 0.00 ATOM 1545 CG ASP A 191 63.835 4.182 -2.836 1.00 0.00 ATOM 1546 OD1 ASP A 191 63.072 3.353 -2.299 1.00 0.00 ATOM 1547 OD2 ASP A 191 63.694 4.580 -4.014 1.00 0.00 ATOM 1548 O ASP A 191 66.055 5.071 1.118 1.00 0.00 ATOM 1549 C ASP A 191 65.725 5.749 0.141 1.00 0.00 ATOM 1550 N ASN A 192 66.238 6.949 -0.133 1.00 0.00 ATOM 1551 CA ASN A 192 67.393 7.526 0.554 1.00 0.00 ATOM 1552 CB ASN A 192 68.670 6.870 0.029 1.00 0.00 ATOM 1553 CG ASN A 192 68.806 6.983 -1.478 1.00 0.00 ATOM 1554 ND2 ASN A 192 69.023 5.855 -2.138 1.00 0.00 ATOM 1555 OD1 ASN A 192 68.719 8.079 -2.038 1.00 0.00 ATOM 1556 O ASN A 192 66.502 9.611 -0.277 1.00 0.00 ATOM 1557 C ASN A 192 67.448 9.042 0.248 1.00 0.00 ATOM 1558 N GLY A 193 68.590 9.710 0.677 1.00 0.00 ATOM 1559 CA GLY A 193 68.747 11.144 0.525 1.00 0.00 ATOM 1560 O GLY A 193 68.431 12.658 -1.313 1.00 0.00 ATOM 1561 C GLY A 193 68.711 11.506 -0.971 1.00 0.00 ATOM 1562 N GLU A 194 69.021 10.543 -1.847 1.00 0.00 ATOM 1563 CA GLU A 194 69.072 10.807 -3.291 1.00 0.00 ATOM 1564 CB GLU A 194 70.490 10.200 -3.766 1.00 0.00 ATOM 1565 CG GLU A 194 71.775 10.737 -3.105 1.00 0.00 ATOM 1566 CD GLU A 194 72.181 10.183 -1.742 1.00 0.00 ATOM 1567 OE1 GLU A 194 71.469 9.316 -1.169 1.00 0.00 ATOM 1568 OE2 GLU A 194 73.213 10.681 -1.198 1.00 0.00 ATOM 1569 O GLU A 194 67.548 11.040 -5.129 1.00 0.00 ATOM 1570 C GLU A 194 67.733 10.602 -3.994 1.00 0.00 ATOM 1571 N ASN A 195 66.868 9.946 -3.347 1.00 0.00 ATOM 1572 CA ASN A 195 65.549 9.685 -3.909 1.00 0.00 ATOM 1573 CB ASN A 195 64.616 9.007 -2.972 1.00 0.00 ATOM 1574 CG ASN A 195 63.191 8.961 -3.500 1.00 0.00 ATOM 1575 ND2 ASN A 195 62.951 8.075 -4.460 1.00 0.00 ATOM 1576 OD1 ASN A 195 62.326 9.721 -3.066 1.00 0.00 ATOM 1577 O ASN A 195 64.363 11.157 -5.390 1.00 0.00 ATOM 1578 C ASN A 195 64.829 10.986 -4.260 1.00 0.00 ATOM 1579 N TRP A 196 64.767 11.923 -3.317 1.00 0.00 ATOM 1580 CA TRP A 196 64.034 13.179 -3.550 1.00 0.00 ATOM 1581 CB TRP A 196 63.879 13.999 -2.253 1.00 0.00 ATOM 1582 CG TRP A 196 63.417 15.419 -2.538 1.00 0.00 ATOM 1583 CD1 TRP A 196 64.121 16.574 -2.327 1.00 0.00 ATOM 1584 CD2 TRP A 196 62.169 15.818 -3.127 1.00 0.00 ATOM 1585 CE2 TRP A 196 62.187 17.226 -3.237 1.00 0.00 ATOM 1586 CE3 TRP A 196 61.031 15.123 -3.575 1.00 0.00 ATOM 1587 NE1 TRP A 196 63.387 17.661 -2.737 1.00 0.00 ATOM 1588 CZ2 TRP A 196 61.118 17.955 -3.762 1.00 0.00 ATOM 1589 CZ3 TRP A 196 59.966 15.849 -4.107 1.00 0.00 ATOM 1590 CH2 TRP A 196 60.019 17.250 -4.191 1.00 0.00 ATOM 1591 O TRP A 196 63.980 14.548 -5.504 1.00 0.00 ATOM 1592 C TRP A 196 64.669 14.054 -4.618 1.00 0.00 ATOM 1593 N ILE A 197 65.984 14.344 -4.515 1.00 0.00 ATOM 1594 CA ILE A 197 66.731 15.148 -5.473 1.00 0.00 ATOM 1595 CB ILE A 197 68.210 15.350 -5.137 1.00 0.00 ATOM 1596 CG1 ILE A 197 68.344 16.256 -3.904 1.00 0.00 ATOM 1597 CG2 ILE A 197 68.953 15.947 -6.370 1.00 0.00 ATOM 1598 CD1 ILE A 197 69.668 16.235 -3.226 1.00 0.00 ATOM 1599 O ILE A 197 66.315 15.155 -7.852 1.00 0.00 ATOM 1600 C ILE A 197 66.605 14.506 -6.843 1.00 0.00 ATOM 1601 N PRO A 198 66.783 13.176 -6.986 1.00 0.00 ATOM 1602 CA PRO A 198 66.627 12.487 -8.255 1.00 0.00 ATOM 1603 CB PRO A 198 67.217 11.128 -8.057 1.00 0.00 ATOM 1604 CG PRO A 198 68.304 11.345 -7.058 1.00 0.00 ATOM 1605 CD PRO A 198 67.803 12.423 -6.100 1.00 0.00 ATOM 1606 O PRO A 198 65.002 12.730 -9.994 1.00 0.00 ATOM 1607 C PRO A 198 65.203 12.552 -8.795 1.00 0.00 ATOM 1608 N ALA A 199 64.210 12.407 -7.922 1.00 0.00 ATOM 1609 CA ALA A 199 62.810 12.464 -8.343 1.00 0.00 ATOM 1610 CB ALA A 199 61.877 12.097 -7.191 1.00 0.00 ATOM 1611 O ALA A 199 61.656 14.019 -9.765 1.00 0.00 ATOM 1612 C ALA A 199 62.462 13.866 -8.847 1.00 0.00 ATOM 1613 N ILE A 200 63.005 14.876 -8.175 1.00 0.00 ATOM 1614 CA ILE A 200 62.764 16.289 -8.543 1.00 0.00 ATOM 1615 CB ILE A 200 63.325 17.360 -7.608 1.00 0.00 ATOM 1616 CG1 ILE A 200 62.683 18.737 -7.959 1.00 0.00 ATOM 1617 CG2 ILE A 200 64.861 17.439 -7.624 1.00 0.00 ATOM 1618 CD1 ILE A 200 61.143 18.830 -7.707 1.00 0.00 ATOM 1619 O ILE A 200 62.530 17.142 -10.777 1.00 0.00 ATOM 1620 C ILE A 200 63.249 16.561 -9.971 1.00 0.00 ATOM 1621 N THR A 201 64.447 16.070 -10.293 1.00 0.00 ATOM 1622 CA THR A 201 65.034 16.217 -11.629 1.00 0.00 ATOM 1623 CB THR A 201 66.491 15.696 -11.639 1.00 0.00 ATOM 1624 CG2 THR A 201 67.127 15.798 -13.029 1.00 0.00 ATOM 1625 OG1 THR A 201 67.265 16.465 -10.709 1.00 0.00 ATOM 1626 O THR A 201 63.779 16.114 -13.664 1.00 0.00 ATOM 1627 C THR A 201 64.153 15.518 -12.659 1.00 0.00 ATOM 1628 N ARG A 202 63.777 14.263 -12.376 1.00 0.00 ATOM 1629 CA ARG A 202 62.953 13.507 -13.294 1.00 0.00 ATOM 1630 CB ARG A 202 63.013 11.995 -12.978 1.00 0.00 ATOM 1631 CG ARG A 202 62.222 11.109 -13.936 1.00 0.00 ATOM 1632 CD ARG A 202 62.916 10.912 -15.300 1.00 0.00 ATOM 1633 NE ARG A 202 64.225 10.352 -15.035 1.00 0.00 ATOM 1634 CZ ARG A 202 64.449 9.012 -15.031 1.00 0.00 ATOM 1635 NH1 ARG A 202 63.477 8.142 -15.280 1.00 0.00 ATOM 1636 NH2 ARG A 202 65.662 8.546 -14.773 1.00 0.00 ATOM 1637 O ARG A 202 61.013 14.255 -14.487 1.00 0.00 ATOM 1638 C ARG A 202 61.547 14.100 -13.392 1.00 0.00 ATOM 1639 N LEU A 203 60.919 14.403 -12.267 1.00 0.00 ATOM 1640 CA LEU A 203 59.557 14.983 -12.312 1.00 0.00 ATOM 1641 CB LEU A 203 59.054 15.212 -10.879 1.00 0.00 ATOM 1642 CG LEU A 203 57.632 15.771 -10.730 1.00 0.00 ATOM 1643 CD1 LEU A 203 56.645 14.906 -11.491 1.00 0.00 ATOM 1644 CD2 LEU A 203 57.272 15.841 -9.242 1.00 0.00 ATOM 1645 O LEU A 203 58.661 16.619 -13.830 1.00 0.00 ATOM 1646 C LEU A 203 59.567 16.323 -13.044 1.00 0.00 ATOM 1647 N LEU A 204 60.574 17.151 -12.780 1.00 0.00 ATOM 1648 CA LEU A 204 60.670 18.433 -13.472 1.00 0.00 ATOM 1649 CB LEU A 204 61.865 19.272 -12.955 1.00 0.00 ATOM 1650 CG LEU A 204 61.568 20.144 -11.761 1.00 0.00 ATOM 1651 CD1 LEU A 204 62.811 20.553 -10.972 1.00 0.00 ATOM 1652 CD2 LEU A 204 60.832 21.405 -12.218 1.00 0.00 ATOM 1653 O LEU A 204 60.263 18.942 -15.807 1.00 0.00 ATOM 1654 C LEU A 204 60.861 18.261 -14.989 1.00 0.00 ATOM 1655 N ARG A 205 61.688 17.256 -15.314 1.00 0.00 ATOM 1656 CA ARG A 205 61.981 16.965 -16.707 1.00 0.00 ATOM 1657 CB ARG A 205 63.028 15.833 -16.802 1.00 0.00 ATOM 1658 CG ARG A 205 63.406 15.488 -18.241 1.00 0.00 ATOM 1659 CD ARG A 205 64.269 14.230 -18.358 1.00 0.00 ATOM 1660 NE ARG A 205 65.622 14.406 -17.833 1.00 0.00 ATOM 1661 CZ ARG A 205 65.994 14.120 -16.590 1.00 0.00 ATOM 1662 NH1 ARG A 205 65.111 13.636 -15.724 1.00 0.00 ATOM 1663 NH2 ARG A 205 67.252 14.308 -16.215 1.00 0.00 ATOM 1664 O ARG A 205 60.479 16.985 -18.554 1.00 0.00 ATOM 1665 C ARG A 205 60.747 16.544 -17.449 1.00 0.00 ATOM 1666 N GLU A 206 59.957 15.668 -16.812 1.00 0.00 ATOM 1667 CA GLU A 206 58.699 15.197 -17.411 1.00 0.00 ATOM 1668 CB GLU A 206 58.116 14.027 -16.562 1.00 0.00 ATOM 1669 CG GLU A 206 58.943 12.746 -16.557 1.00 0.00 ATOM 1670 CD GLU A 206 59.222 12.228 -17.960 1.00 0.00 ATOM 1671 OE1 GLU A 206 58.260 11.816 -18.653 1.00 0.00 ATOM 1672 OE2 GLU A 206 60.404 12.249 -18.380 1.00 0.00 ATOM 1673 O GLU A 206 56.889 16.333 -18.467 1.00 0.00 ATOM 1674 C GLU A 206 57.607 16.250 -17.478 1.00 0.00 ATOM 1675 N GLN A 207 57.483 16.991 -16.447 1.00 0.00 ATOM 1676 CA GLN A 207 56.480 18.054 -16.416 1.00 0.00 ATOM 1677 CB GLN A 207 56.470 18.809 -15.082 1.00 0.00 ATOM 1678 CG GLN A 207 55.597 20.055 -15.069 1.00 0.00 ATOM 1679 CD GLN A 207 55.613 20.761 -13.725 1.00 0.00 ATOM 1680 OE1 GLN A 207 56.607 20.724 -13.004 1.00 0.00 ATOM 1681 NE2 GLN A 207 54.511 21.421 -13.389 1.00 0.00 ATOM 1682 O GLN A 207 55.705 19.424 -18.220 1.00 0.00 ATOM 1683 C GLN A 207 56.668 19.052 -17.554 1.00 0.00 ATOM 1684 N LYS A 208 57.904 19.485 -17.793 1.00 0.00 ATOM 1685 CA LYS A 208 58.170 20.435 -18.862 1.00 0.00 ATOM 1686 CB LYS A 208 59.613 20.915 -18.740 1.00 0.00 ATOM 1687 CG LYS A 208 59.953 21.929 -19.862 1.00 0.00 ATOM 1688 CD LYS A 208 59.104 23.187 -19.904 1.00 0.00 ATOM 1689 CE LYS A 208 59.638 24.209 -20.869 1.00 0.00 ATOM 1690 NZ LYS A 208 58.861 25.440 -20.838 1.00 0.00 ATOM 1691 O LYS A 208 57.312 20.440 -21.102 1.00 0.00 ATOM 1692 C LYS A 208 57.924 19.818 -20.233 1.00 0.00 ENDMDL EXPDTA 2i6xA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2i6xA ATOM 1 N MET 1 52.175 18.983 -14.844 1.00 0.00 ATOM 2 CA MET 1 51.571 17.915 -14.055 1.00 0.00 ATOM 3 CB MET 1 52.624 16.824 -13.913 1.00 0.00 ATOM 4 CG MET 1 52.547 15.741 -14.940 1.00 0.00 ATOM 5 SD MET 1 51.705 14.217 -14.085 1.00 0.00 ATOM 6 CE MET 1 53.031 13.840 -12.674 1.00 0.00 ATOM 7 O MET 1 50.017 18.289 -12.222 1.00 0.00 ATOM 8 C MET 1 51.190 18.336 -12.631 1.00 0.00 ATOM 9 N ILE 2 52.226 18.739 -11.903 1.00 0.00 ATOM 10 CA ILE 2 52.203 18.919 -10.474 1.00 0.00 ATOM 11 CB ILE 2 53.536 18.361 -9.856 1.00 0.00 ATOM 12 CG1 ILE 2 53.810 16.902 -10.272 1.00 0.00 ATOM 13 CG2 ILE 2 53.587 18.555 -8.346 1.00 0.00 ATOM 14 CD1 ILE 2 52.802 15.905 -9.806 1.00 0.00 ATOM 15 O ILE 2 52.803 21.245 -10.660 1.00 0.00 ATOM 16 C ILE 2 52.051 20.411 -10.141 1.00 0.00 ATOM 17 N ARG 3 51.073 20.723 -9.288 1.00 0.00 ATOM 18 CA ARG 3 50.854 22.063 -8.729 1.00 0.00 ATOM 19 CB ARG 3 49.386 22.477 -8.902 1.00 0.00 ATOM 20 CG ARG 3 48.924 22.689 -10.341 1.00 0.00 ATOM 21 CD ARG 3 47.805 23.733 -10.365 1.00 0.00 ATOM 22 NE ARG 3 46.986 23.693 -11.582 1.00 0.00 ATOM 23 CZ ARG 3 47.342 24.198 -12.766 1.00 0.00 ATOM 24 NH1 ARG 3 48.525 24.793 -12.924 1.00 0.00 ATOM 25 NH2 ARG 3 46.512 24.103 -13.801 1.00 0.00 ATOM 26 O ARG 3 51.564 23.210 -6.720 1.00 0.00 ATOM 27 C ARG 3 51.209 22.142 -7.228 1.00 0.00 ATOM 28 N ASN 4 51.086 21.008 -6.532 1.00 0.00 ATOM 29 CA ASN 4 51.285 20.927 -5.096 1.00 0.00 ATOM 30 CB ASN 4 49.969 20.641 -4.362 1.00 0.00 ATOM 31 CG ASN 4 48.760 21.262 -5.047 1.00 0.00 ATOM 32 ND2 ASN 4 47.937 20.423 -5.663 1.00 0.00 ATOM 33 OD1 ASN 4 48.570 22.483 -5.024 1.00 0.00 ATOM 34 O ASN 4 52.354 18.808 -5.454 1.00 0.00 ATOM 35 C ASN 4 52.292 19.828 -4.764 1.00 0.00 ATOM 36 N ILE 5 53.091 20.046 -3.724 1.00 0.00 ATOM 37 CA ILE 5 54.025 19.037 -3.299 1.00 0.00 ATOM 38 CB ILE 5 55.509 19.388 -3.676 1.00 0.00 ATOM 39 CG1 ILE 5 55.663 19.717 -5.166 1.00 0.00 ATOM 40 CG2 ILE 5 56.459 18.247 -3.300 1.00 0.00 ATOM 41 CD1 ILE 5 56.787 20.675 -5.422 1.00 0.00 ATOM 42 O ILE 5 53.881 19.949 -1.108 1.00 0.00 ATOM 43 C ILE 5 53.888 18.932 -1.794 1.00 0.00 ATOM 44 N VAL 6 53.792 17.701 -1.293 1.00 0.00 ATOM 45 CA VAL 6 53.616 17.400 0.125 1.00 0.00 ATOM 46 CB VAL 6 52.314 16.566 0.378 1.00 0.00 ATOM 47 CG1 VAL 6 52.188 16.181 1.871 1.00 0.00 ATOM 48 CG2 VAL 6 51.084 17.325 -0.082 1.00 0.00 ATOM 49 O VAL 6 55.145 15.591 -0.108 1.00 0.00 ATOM 50 C VAL 6 54.804 16.565 0.555 1.00 0.00 ATOM 51 N PHE 7 55.437 16.947 1.661 1.00 0.00 ATOM 52 CA PHE 7 56.618 16.263 2.164 1.00 0.00 ATOM 53 CB PHE 7 57.749 17.277 2.366 1.00 0.00 ATOM 54 CG PHE 7 58.223 17.926 1.105 1.00 0.00 ATOM 55 CD1 PHE 7 59.350 17.441 0.436 1.00 0.00 ATOM 56 CD2 PHE 7 57.570 19.037 0.592 1.00 0.00 ATOM 57 CE1 PHE 7 59.797 18.044 -0.737 1.00 0.00 ATOM 58 CE2 PHE 7 58.001 19.627 -0.577 1.00 0.00 ATOM 59 CZ PHE 7 59.120 19.127 -1.240 1.00 0.00 ATOM 60 O PHE 7 55.607 16.261 4.316 1.00 0.00 ATOM 61 C PHE 7 56.321 15.657 3.512 1.00 0.00 ATOM 62 N ASP 8 56.891 14.489 3.795 1.00 0.00 ATOM 63 CA ASP 8 57.019 14.070 5.209 1.00 0.00 ATOM 64 CB ASP 8 57.213 12.554 5.286 1.00 0.00 ATOM 65 CG ASP 8 57.043 11.986 6.684 1.00 0.00 ATOM 66 OD1 ASP 8 56.576 12.673 7.634 1.00 0.00 ATOM 67 OD2 ASP 8 57.408 10.798 6.829 1.00 0.00 ATOM 68 O ASP 8 59.044 15.375 5.090 1.00 0.00 ATOM 69 C ASP 8 58.234 14.812 5.812 1.00 0.00 ATOM 70 N LEU 9 58.353 14.798 7.131 1.00 0.00 ATOM 71 CA LEU 9 59.450 15.410 7.830 1.00 0.00 ATOM 72 CB LEU 9 58.958 16.040 9.142 1.00 0.00 ATOM 73 CG LEU 9 59.989 16.843 9.962 1.00 0.00 ATOM 74 CD1 LEU 9 60.628 17.989 9.166 1.00 0.00 ATOM 75 CD2 LEU 9 59.320 17.364 11.228 1.00 0.00 ATOM 76 O LEU 9 61.576 14.345 7.443 1.00 0.00 ATOM 77 C LEU 9 60.516 14.342 8.095 1.00 0.00 ATOM 78 N GLY 10 60.234 13.436 9.036 1.00 0.00 ATOM 79 CA GLY 10 61.121 12.335 9.354 1.00 0.00 ATOM 80 O GLY 10 60.359 11.146 7.402 1.00 0.00 ATOM 81 C GLY 10 61.336 11.484 8.118 1.00 0.00 ATOM 82 N GLY 11 62.600 11.140 7.851 1.00 0.00 ATOM 83 CA GLY 11 62.928 10.258 6.730 1.00 0.00 ATOM 84 O GLY 11 64.364 10.977 4.948 1.00 0.00 ATOM 85 C GLY 11 63.254 11.057 5.483 1.00 0.00 ATOM 86 N VAL 12 62.319 11.889 5.074 1.00 0.00 ATOM 87 CA VAL 12 62.444 12.739 3.899 1.00 0.00 ATOM 88 CB VAL 12 60.976 13.119 3.429 1.00 0.00 ATOM 89 CG1 VAL 12 60.990 14.074 2.254 1.00 0.00 ATOM 90 CG2 VAL 12 60.236 11.851 3.087 1.00 0.00 ATOM 91 O VAL 12 64.271 14.240 3.314 1.00 0.00 ATOM 92 C VAL 12 63.356 13.993 4.095 1.00 0.00 ATOM 93 N LEU 13 63.092 14.778 5.144 1.00 0.00 ATOM 94 CA LEU 13 63.811 16.031 5.372 1.00 0.00 ATOM 95 CB LEU 13 62.818 17.158 5.635 1.00 0.00 ATOM 96 CG LEU 13 61.822 17.533 4.526 1.00 0.00 ATOM 97 CD1 LEU 13 60.699 18.482 5.017 1.00 0.00 ATOM 98 CD2 LEU 13 62.583 18.168 3.364 1.00 0.00 ATOM 99 O LEU 13 65.846 16.576 6.547 1.00 0.00 ATOM 100 C LEU 13 64.807 15.903 6.526 1.00 0.00 ATOM 101 N ILE 14 64.489 15.053 7.503 1.00 0.00 ATOM 102 CA ILE 14 65.411 14.807 8.597 1.00 0.00 ATOM 103 CB ILE 14 64.792 15.131 10.003 1.00 0.00 ATOM 104 CG1 ILE 14 64.200 16.539 10.050 1.00 0.00 ATOM 105 CG2 ILE 14 65.826 14.866 11.153 1.00 0.00 ATOM 106 CD1 ILE 14 63.514 16.849 11.373 1.00 0.00 ATOM 107 O ILE 14 64.829 12.488 8.685 1.00 0.00 ATOM 108 C ILE 14 65.734 13.326 8.551 1.00 0.00 ATOM 109 N HIS 15 67.008 13.001 8.325 1.00 0.00 ATOM 110 CA HIS 15 67.505 11.622 8.377 1.00 0.00 ATOM 111 CB HIS 15 68.980 11.555 7.918 1.00 0.00 ATOM 112 CG HIS 15 69.601 10.185 7.995 1.00 0.00 ATOM 113 CD2 HIS 15 69.052 8.954 8.126 1.00 0.00 ATOM 114 ND1 HIS 15 70.964 9.982 7.926 1.00 0.00 ATOM 115 CE1 HIS 15 71.224 8.689 8.014 1.00 0.00 ATOM 116 NE2 HIS 15 70.080 8.043 8.141 1.00 0.00 ATOM 117 O HIS 15 67.717 11.853 10.758 1.00 0.00 ATOM 118 C HIS 15 67.361 11.136 9.807 1.00 0.00 ATOM 119 N LEU 16 66.851 9.921 9.951 1.00 0.00 ATOM 120 CA LEU 16 66.558 9.351 11.261 1.00 0.00 ATOM 121 CB LEU 16 65.137 8.778 11.253 1.00 0.00 ATOM 122 CG LEU 16 63.969 9.739 10.980 1.00 0.00 ATOM 123 CD1 LEU 16 62.622 8.987 10.954 1.00 0.00 ATOM 124 CD2 LEU 16 63.913 10.873 12.021 1.00 0.00 ATOM 125 O LEU 16 68.122 7.576 10.884 1.00 0.00 ATOM 126 C LEU 16 67.524 8.266 11.703 1.00 0.00 ATOM 127 N ASN 17 67.646 8.102 13.014 1.00 0.00 ATOM 128 CA ASN 17 68.509 7.091 13.615 1.00 0.00 ATOM 129 CB ASN 17 69.852 7.733 14.044 1.00 0.00 ATOM 130 CG ASN 17 70.849 6.735 14.682 1.00 0.00 ATOM 131 ND2 ASN 17 72.036 7.243 15.026 1.00 0.00 ATOM 132 OD1 ASN 17 70.566 5.547 14.861 1.00 0.00 ATOM 133 O ASN 17 67.907 7.040 15.935 1.00 0.00 ATOM 134 C ASN 17 67.774 6.523 14.818 1.00 0.00 ATOM 135 N ARG 18 66.996 5.466 14.594 1.00 0.00 ATOM 136 CA ARG 18 66.165 4.914 15.665 1.00 0.00 ATOM 137 CB ARG 18 64.993 4.048 15.136 1.00 0.00 ATOM 138 CG ARG 18 65.181 2.540 15.016 1.00 0.00 ATOM 139 CD ARG 18 63.933 1.879 14.349 1.00 0.00 ATOM 140 NE ARG 18 62.902 1.453 15.315 1.00 0.00 ATOM 141 CZ ARG 18 62.890 0.256 15.924 1.00 0.00 ATOM 142 NH1 ARG 18 61.915 -0.076 16.782 1.00 0.00 ATOM 143 NH2 ARG 18 63.868 -0.622 15.680 1.00 0.00 ATOM 144 O ARG 18 66.576 4.360 17.939 1.00 0.00 ATOM 145 C ARG 18 66.963 4.247 16.786 1.00 0.00 ATOM 146 N GLU 19 68.071 3.599 16.421 1.00 0.00 ATOM 147 CA GLU 19 68.984 2.929 17.352 1.00 0.00 ATOM 148 CB GLU 19 70.220 2.412 16.599 1.00 0.00 ATOM 149 CG GLU 19 69.946 1.381 15.485 1.00 0.00 ATOM 150 CD GLU 19 69.301 1.976 14.228 1.00 0.00 ATOM 151 OE1 GLU 19 68.414 1.304 13.646 1.00 0.00 ATOM 152 OE2 GLU 19 69.674 3.102 13.822 1.00 0.00 ATOM 153 O GLU 19 69.453 3.486 19.665 1.00 0.00 ATOM 154 C GLU 19 69.433 3.863 18.483 1.00 0.00 ATOM 155 N GLU 20 69.792 5.081 18.096 1.00 0.00 ATOM 156 CA GLU 20 70.283 6.099 19.007 1.00 0.00 ATOM 157 CB GLU 20 70.820 7.302 18.226 1.00 0.00 ATOM 158 CG GLU 20 71.225 8.494 19.088 1.00 0.00 ATOM 159 CD GLU 20 72.287 8.149 20.119 1.00 0.00 ATOM 160 OE1 GLU 20 72.325 8.855 21.150 1.00 0.00 ATOM 161 OE2 GLU 20 73.070 7.179 19.909 1.00 0.00 ATOM 162 O GLU 20 69.449 6.564 21.222 1.00 0.00 ATOM 163 C GLU 20 69.204 6.517 19.998 1.00 0.00 ATOM 164 N SER 21 68.008 6.801 19.490 1.00 0.00 ATOM 165 CA SER 21 66.873 7.012 20.383 1.00 0.00 ATOM 166 CB SER 21 65.631 7.428 19.617 1.00 0.00 ATOM 167 OG SER 21 64.612 7.855 20.507 1.00 0.00 ATOM 168 O SER 21 66.298 5.947 22.443 1.00 0.00 ATOM 169 C SER 21 66.596 5.783 21.267 1.00 0.00 ATOM 170 N ILE 22 66.712 4.562 20.728 1.00 0.00 ATOM 171 CA ILE 22 66.567 3.357 21.563 1.00 0.00 ATOM 172 CB ILE 22 66.671 2.021 20.766 1.00 0.00 ATOM 173 CG1 ILE 22 65.638 1.922 19.627 1.00 0.00 ATOM 174 CG2 ILE 22 66.575 0.811 21.691 1.00 0.00 ATOM 175 CD1 ILE 22 64.176 2.036 20.021 1.00 0.00 ATOM 176 O ILE 22 67.275 3.010 23.844 1.00 0.00 ATOM 177 C ILE 22 67.607 3.361 22.709 1.00 0.00 ATOM 178 N ARG 23 68.844 3.757 22.394 1.00 0.00 ATOM 179 CA ARG 23 69.944 3.846 23.370 1.00 0.00 ATOM 180 CB ARG 23 71.250 4.253 22.661 1.00 0.00 ATOM 181 CG ARG 23 72.527 4.124 23.483 1.00 0.00 ATOM 182 CD ARG 23 73.639 5.048 22.948 1.00 0.00 ATOM 183 NE ARG 23 73.389 6.474 23.225 1.00 0.00 ATOM 184 CZ ARG 23 74.215 7.472 22.899 1.00 0.00 ATOM 185 NH1 ARG 23 73.897 8.725 23.190 1.00 0.00 ATOM 186 NH2 ARG 23 75.363 7.224 22.272 1.00 0.00 ATOM 187 O ARG 23 69.772 4.489 25.683 1.00 0.00 ATOM 188 C ARG 23 69.613 4.826 24.507 1.00 0.00 ATOM 189 N ARG 24 69.139 6.019 24.148 1.00 0.00 ATOM 190 CA ARG 24 68.802 7.056 25.126 1.00 0.00 ATOM 191 CB ARG 24 68.563 8.401 24.426 1.00 0.00 ATOM 192 CG ARG 24 69.782 8.968 23.702 1.00 0.00 ATOM 193 CD ARG 24 69.489 10.348 23.121 1.00 0.00 ATOM 194 NE ARG 24 70.582 10.818 22.278 1.00 0.00 ATOM 195 CZ ARG 24 70.735 12.069 21.823 1.00 0.00 ATOM 196 NH1 ARG 24 69.854 13.036 22.117 1.00 0.00 ATOM 197 NH2 ARG 24 71.796 12.359 21.071 1.00 0.00 ATOM 198 O ARG 24 67.645 6.819 27.254 1.00 0.00 ATOM 199 C ARG 24 67.609 6.651 26.015 1.00 0.00 ATOM 200 N PHE 25 66.582 6.060 25.395 1.00 0.00 ATOM 201 CA PHE 25 65.442 5.532 26.158 1.00 0.00 ATOM 202 CB PHE 25 64.318 5.059 25.244 1.00 0.00 ATOM 203 CG PHE 25 63.386 6.153 24.840 1.00 0.00 ATOM 204 CD1 PHE 25 62.643 6.837 25.801 1.00 0.00 ATOM 205 CD2 PHE 25 63.255 6.518 23.491 1.00 0.00 ATOM 206 CE1 PHE 25 61.772 7.871 25.427 1.00 0.00 ATOM 207 CE2 PHE 25 62.389 7.551 23.089 1.00 0.00 ATOM 208 CZ PHE 25 61.639 8.226 24.059 1.00 0.00 ATOM 209 O PHE 25 65.307 4.473 28.302 1.00 0.00 ATOM 210 C PHE 25 65.813 4.461 27.180 1.00 0.00 ATOM 211 N LYS 26 66.690 3.542 26.791 1.00 0.00 ATOM 212 CA LYS 26 67.207 2.544 27.709 1.00 0.00 ATOM 213 CB LYS 26 68.162 1.593 26.982 1.00 0.00 ATOM 214 CG LYS 26 67.453 0.578 26.133 1.00 0.00 ATOM 215 CD LYS 26 68.403 -0.338 25.399 1.00 0.00 ATOM 216 CE LYS 26 67.597 -1.311 24.565 1.00 0.00 ATOM 217 NZ LYS 26 68.404 -1.915 23.480 1.00 0.00 ATOM 218 O LYS 26 67.684 2.832 30.047 1.00 0.00 ATOM 219 C LYS 26 67.910 3.209 28.895 1.00 0.00 ATOM 220 N ALA 27 68.756 4.201 28.610 1.00 0.00 ATOM 221 CA ALA 27 69.504 4.884 29.666 1.00 0.00 ATOM 222 CB ALA 27 70.583 5.807 29.081 1.00 0.00 ATOM 223 O ALA 27 69.035 5.809 31.831 1.00 0.00 ATOM 224 C ALA 27 68.614 5.617 30.696 1.00 0.00 ATOM 225 N ILE 28 67.389 5.995 30.323 1.00 0.00 ATOM 226 CA ILE 28 66.445 6.530 31.311 1.00 0.00 ATOM 227 CB ILE 28 65.748 7.825 30.848 1.00 0.00 ATOM 228 CG1 ILE 28 65.035 7.613 29.510 1.00 0.00 ATOM 229 CG2 ILE 28 66.759 8.973 30.847 1.00 0.00 ATOM 230 CD1 ILE 28 64.158 8.816 29.022 1.00 0.00 ATOM 231 O ILE 28 64.328 5.941 32.291 1.00 0.00 ATOM 232 C ILE 28 65.390 5.534 31.801 1.00 0.00 ATOM 233 N GLY 29 65.679 4.238 31.660 1.00 0.00 ATOM 234 CA GLY 29 64.845 3.178 32.244 1.00 0.00 ATOM 235 O GLY 29 63.011 1.704 31.835 1.00 0.00 ATOM 236 C GLY 29 63.706 2.624 31.405 1.00 0.00 ATOM 237 N VAL 30 63.499 3.169 30.210 1.00 0.00 ATOM 238 CA VAL 30 62.475 2.618 29.309 1.00 0.00 ATOM 239 CB VAL 30 61.920 3.665 28.323 1.00 0.00 ATOM 240 CG1 VAL 30 60.667 3.127 27.648 1.00 0.00 ATOM 241 CG2 VAL 30 61.601 4.962 29.023 1.00 0.00 ATOM 242 O VAL 30 63.539 1.475 27.451 1.00 0.00 ATOM 243 C VAL 30 63.060 1.390 28.589 1.00 0.00 ATOM 244 N ALA 31 63.027 0.259 29.286 1.00 0.00 ATOM 245 CA ALA 31 63.756 -0.944 28.897 1.00 0.00 ATOM 246 CB ALA 31 63.949 -1.854 30.127 1.00 0.00 ATOM 247 O ALA 31 63.830 -2.328 26.910 1.00 0.00 ATOM 248 C ALA 31 63.122 -1.728 27.733 1.00 0.00 ATOM 249 N ASP 32 61.792 -1.729 27.687 1.00 0.00 ATOM 250 CA ASP 32 61.056 -2.420 26.640 1.00 0.00 ATOM 251 CB ASP 32 59.750 -2.991 27.201 1.00 0.00 ATOM 252 CG ASP 32 59.965 -4.254 28.002 1.00 0.00 ATOM 253 OD1 ASP 32 60.360 -5.294 27.420 1.00 0.00 ATOM 254 OD2 ASP 32 59.721 -4.222 29.230 1.00 0.00 ATOM 255 O ASP 32 59.832 -1.629 24.717 1.00 0.00 ATOM 256 C ASP 32 60.788 -1.456 25.472 1.00 0.00 ATOM 257 N ILE 33 61.645 -0.444 25.337 1.00 0.00 ATOM 258 CA ILE 33 61.463 0.606 24.326 1.00 0.00 ATOM 259 CB ILE 33 62.527 1.756 24.420 1.00 0.00 ATOM 260 CG1 ILE 33 62.216 2.856 23.392 1.00 0.00 ATOM 261 CG2 ILE 33 63.968 1.236 24.291 1.00 0.00 ATOM 262 CD1 ILE 33 60.936 3.658 23.705 1.00 0.00 ATOM 263 O ILE 33 60.592 0.605 22.094 1.00 0.00 ATOM 264 C ILE 33 61.388 0.101 22.886 1.00 0.00 ATOM 265 N GLU 34 62.229 -0.873 22.558 1.00 0.00 ATOM 266 CA GLU 34 62.357 -1.345 21.192 1.00 0.00 ATOM 267 CB GLU 34 63.494 -2.356 21.109 1.00 0.00 ATOM 268 CG GLU 34 63.808 -2.854 19.715 1.00 0.00 ATOM 269 CD GLU 34 65.277 -3.203 19.543 1.00 0.00 ATOM 270 OE1 GLU 34 65.586 -3.973 18.600 1.00 0.00 ATOM 271 OE2 GLU 34 66.114 -2.707 20.347 1.00 0.00 ATOM 272 O GLU 34 60.601 -1.672 19.573 1.00 0.00 ATOM 273 C GLU 34 61.028 -1.929 20.701 1.00 0.00 ATOM 274 N GLU 35 60.355 -2.675 21.565 1.00 0.00 ATOM 275 CA GLU 35 59.044 -3.184 21.206 1.00 0.00 ATOM 276 CB GLU 35 58.688 -4.467 21.989 1.00 0.00 ATOM 277 CG GLU 35 57.588 -4.340 23.044 1.00 0.00 ATOM 278 CD GLU 35 57.769 -5.329 24.174 1.00 0.00 ATOM 279 OE1 GLU 35 57.011 -6.327 24.241 1.00 0.00 ATOM 280 OE2 GLU 35 58.690 -5.107 24.989 1.00 0.00 ATOM 281 O GLU 35 56.986 -2.153 20.507 1.00 0.00 ATOM 282 C GLU 35 57.952 -2.102 21.273 1.00 0.00 ATOM 283 N MET 36 58.113 -1.140 22.185 1.00 0.00 ATOM 284 CA MET 36 57.180 -0.011 22.305 1.00 0.00 ATOM 285 CB MET 36 57.483 0.857 23.539 1.00 0.00 ATOM 286 CG MET 36 56.967 0.291 24.880 1.00 0.00 ATOM 287 SD MET 36 56.504 1.653 26.248 1.00 0.00 ATOM 288 CE MET 36 58.169 2.633 26.272 1.00 0.00 ATOM 289 O MET 36 56.152 1.377 20.641 1.00 0.00 ATOM 290 C MET 36 57.188 0.844 21.039 1.00 0.00 ATOM 291 N LEU 37 58.363 0.948 20.413 1.00 0.00 ATOM 292 CA LEU 37 58.579 1.719 19.180 1.00 0.00 ATOM 293 CB LEU 37 59.963 2.390 19.216 1.00 0.00 ATOM 294 CG LEU 37 60.080 3.894 19.500 1.00 0.00 ATOM 295 CD1 LEU 37 58.939 4.424 20.340 1.00 0.00 ATOM 296 CD2 LEU 37 61.421 4.298 20.123 1.00 0.00 ATOM 297 O LEU 37 58.714 1.469 16.795 1.00 0.00 ATOM 298 C LEU 37 58.438 0.923 17.863 1.00 0.00 ATOM 299 N ASP 38 58.024 -0.342 17.929 1.00 0.00 ATOM 300 CA ASP 38 57.869 -1.177 16.739 1.00 0.00 ATOM 301 CB ASP 38 58.278 -2.634 17.063 1.00 0.00 ATOM 302 CG ASP 38 57.466 -3.670 16.292 1.00 0.00 ATOM 303 OD1 ASP 38 57.896 -4.076 15.186 1.00 0.00 ATOM 304 OD2 ASP 38 56.387 -4.078 16.787 1.00 0.00 ATOM 305 O ASP 38 55.454 -1.080 16.894 1.00 0.00 ATOM 306 C ASP 38 56.442 -1.099 16.141 1.00 0.00 ATOM 307 N PRO 39 56.329 -1.058 14.783 1.00 0.00 ATOM 308 CA PRO 39 55.030 -1.093 14.047 1.00 0.00 ATOM 309 CB PRO 39 55.437 -0.840 12.589 1.00 0.00 ATOM 310 CG PRO 39 56.861 -0.290 12.648 1.00 0.00 ATOM 311 CD PRO 39 57.477 -0.923 13.859 1.00 0.00 ATOM 312 O PRO 39 53.808 -2.991 13.173 1.00 0.00 ATOM 313 C PRO 39 54.260 -2.417 14.177 1.00 0.00 ATOM 314 N LYS 43 47.566 0.171 18.881 1.00 0.00 ATOM 315 CA LYS 43 47.777 0.005 20.323 1.00 0.00 ATOM 316 CB LYS 43 47.650 -1.467 20.734 1.00 0.00 ATOM 317 CG LYS 43 46.223 -2.011 20.876 1.00 0.00 ATOM 318 CD LYS 43 45.791 -2.083 22.351 1.00 0.00 ATOM 319 CE LYS 43 44.446 -2.796 22.510 1.00 0.00 ATOM 320 NZ LYS 43 44.178 -3.174 23.927 1.00 0.00 ATOM 321 O LYS 43 50.172 0.055 20.175 1.00 0.00 ATOM 322 C LYS 43 49.158 0.503 20.725 1.00 0.00 ATOM 323 N GLY 44 49.193 1.428 21.681 1.00 0.00 ATOM 324 CA GLY 44 50.448 1.836 22.308 1.00 0.00 ATOM 325 O GLY 44 49.866 4.136 22.034 1.00 0.00 ATOM 326 C GLY 44 50.478 3.299 22.692 1.00 0.00 ATOM 327 N LEU 45 51.189 3.623 23.762 1.00 0.00 ATOM 328 CA LEU 45 51.225 5.021 24.173 1.00 0.00 ATOM 329 CB LEU 45 51.430 5.243 25.685 1.00 0.00 ATOM 330 CG LEU 45 52.289 4.376 26.598 1.00 0.00 ATOM 331 CD1 LEU 45 53.742 4.626 26.326 1.00 0.00 ATOM 332 CD2 LEU 45 51.975 4.637 28.064 1.00 0.00 ATOM 333 O LEU 45 51.839 7.122 23.286 1.00 0.00 ATOM 334 C LEU 45 52.099 5.928 23.321 1.00 0.00 ATOM 335 N PHE 46 53.091 5.386 22.612 1.00 0.00 ATOM 336 CA PHE 46 53.756 6.191 21.598 1.00 0.00 ATOM 337 CB PHE 46 55.044 5.535 21.086 1.00 0.00 ATOM 338 CG PHE 46 56.191 5.706 22.034 1.00 0.00 ATOM 339 CD1 PHE 46 57.018 6.820 21.957 1.00 0.00 ATOM 340 CD2 PHE 46 56.399 4.784 23.052 1.00 0.00 ATOM 341 CE1 PHE 46 58.050 6.983 22.857 1.00 0.00 ATOM 342 CE2 PHE 46 57.424 4.943 23.950 1.00 0.00 ATOM 343 CZ PHE 46 58.253 6.038 23.862 1.00 0.00 ATOM 344 O PHE 46 52.921 7.681 19.933 1.00 0.00 ATOM 345 C PHE 46 52.807 6.588 20.465 1.00 0.00 ATOM 346 N LEU 47 51.855 5.718 20.125 1.00 0.00 ATOM 347 CA LEU 47 50.827 6.091 19.160 1.00 0.00 ATOM 348 CB LEU 47 50.019 4.887 18.640 1.00 0.00 ATOM 349 CG LEU 47 48.847 5.284 17.717 1.00 0.00 ATOM 350 CD1 LEU 47 49.368 5.935 16.420 1.00 0.00 ATOM 351 CD2 LEU 47 47.865 4.143 17.412 1.00 0.00 ATOM 352 O LEU 47 49.416 8.010 18.991 1.00 0.00 ATOM 353 C LEU 47 49.889 7.147 19.726 1.00 0.00 ATOM 354 N ASP 48 49.603 7.062 21.020 1.00 0.00 ATOM 355 CA ASP 48 48.748 8.047 21.683 1.00 0.00 ATOM 356 CB ASP 48 48.462 7.638 23.134 1.00 0.00 ATOM 357 CG ASP 48 47.550 6.421 23.238 1.00 0.00 ATOM 358 OD1 ASP 48 46.926 6.030 22.221 1.00 0.00 ATOM 359 OD2 ASP 48 47.447 5.847 24.350 1.00 0.00 ATOM 360 O ASP 48 48.781 10.447 21.523 1.00 0.00 ATOM 361 C ASP 48 49.439 9.410 21.631 1.00 0.00 ATOM 362 N LEU 49 50.765 9.386 21.687 1.00 0.00 ATOM 363 CA LEU 49 51.564 10.590 21.589 1.00 0.00 ATOM 364 CB LEU 49 53.015 10.323 22.038 1.00 0.00 ATOM 365 CG LEU 49 54.045 11.462 21.907 1.00 0.00 ATOM 366 CD1 LEU 49 53.782 12.582 22.915 1.00 0.00 ATOM 367 CD2 LEU 49 55.460 10.931 22.034 1.00 0.00 ATOM 368 O LEU 49 51.386 12.476 20.113 1.00 0.00 ATOM 369 C LEU 49 51.524 11.250 20.184 1.00 0.00 ATOM 370 N GLU 50 51.644 10.450 19.104 1.00 0.00 ATOM 371 CA GLU 50 51.636 10.968 17.705 1.00 0.00 ATOM 372 CB GLU 50 51.964 9.899 16.650 1.00 0.00 ATOM 373 CG GLU 50 53.165 9.064 16.916 1.00 0.00 ATOM 374 CD GLU 50 53.951 8.815 15.645 1.00 0.00 ATOM 375 OE1 GLU 50 53.375 8.186 14.710 1.00 0.00 ATOM 376 OE2 GLU 50 55.145 9.273 15.610 1.00 0.00 ATOM 377 O GLU 50 50.177 12.421 16.545 1.00 0.00 ATOM 378 C GLU 50 50.282 11.463 17.295 1.00 0.00 ATOM 379 N SER 51 49.259 10.739 17.736 1.00 0.00 ATOM 380 CA SER 51 47.912 10.946 17.289 1.00 0.00 ATOM 381 CB SER 51 47.122 9.646 17.427 1.00 0.00 ATOM 382 OG SER 51 46.670 9.444 18.760 1.00 0.00 ATOM 383 O SER 51 46.145 12.486 17.744 1.00 0.00 ATOM 384 C SER 51 47.240 12.059 18.080 1.00 0.00 ATOM 385 N GLY 52 47.892 12.517 19.142 1.00 0.00 ATOM 386 CA GLY 52 47.324 13.551 19.988 1.00 0.00 ATOM 387 O GLY 52 45.878 13.815 21.855 1.00 0.00 ATOM 388 C GLY 52 46.357 13.036 21.035 1.00 0.00 ATOM 389 N ARG 53 46.073 11.735 21.024 1.00 0.00 ATOM 390 CA ARG 53 45.116 11.152 21.970 1.00 0.00 ATOM 391 CB ARG 53 44.897 9.668 21.678 1.00 0.00 ATOM 392 CG ARG 53 43.753 9.081 22.456 1.00 0.00 ATOM 393 CD ARG 53 43.440 7.667 22.023 1.00 0.00 ATOM 394 NE ARG 53 42.411 7.091 22.884 1.00 0.00 ATOM 395 CZ ARG 53 42.656 6.473 24.038 1.00 0.00 ATOM 396 NH1 ARG 53 41.643 5.985 24.756 1.00 0.00 ATOM 397 NH2 ARG 53 43.911 6.334 24.469 1.00 0.00 ATOM 398 O ARG 53 44.688 11.750 24.269 1.00 0.00 ATOM 399 C ARG 53 45.524 11.394 23.438 1.00 0.00 ATOM 400 N LYS 54 46.805 11.212 23.749 1.00 0.00 ATOM 401 CA LYS 54 47.371 11.742 24.981 1.00 0.00 ATOM 402 CB LYS 54 48.209 10.689 25.706 1.00 0.00 ATOM 403 CG LYS 54 47.375 9.608 26.380 1.00 0.00 ATOM 404 CD LYS 54 48.242 8.483 26.911 1.00 0.00 ATOM 405 CE LYS 54 47.398 7.397 27.555 1.00 0.00 ATOM 406 NZ LYS 54 46.351 6.820 26.624 1.00 0.00 ATOM 407 O LYS 54 49.010 13.018 23.750 1.00 0.00 ATOM 408 C LYS 54 48.209 12.980 24.694 1.00 0.00 ATOM 409 N SER 55 48.011 14.006 25.509 1.00 0.00 ATOM 410 CA SER 55 48.903 15.155 25.530 1.00 0.00 ATOM 411 CB SER 55 48.367 16.220 26.492 1.00 0.00 ATOM 412 OG SER 55 48.384 15.745 27.830 1.00 0.00 ATOM 413 O SER 55 50.500 13.584 26.455 1.00 0.00 ATOM 414 C SER 55 50.306 14.710 25.962 1.00 0.00 ATOM 415 N GLU 56 51.276 15.602 25.784 1.00 0.00 ATOM 416 CA GLU 56 52.650 15.350 26.204 1.00 0.00 ATOM 417 CB GLU 56 53.500 16.573 25.870 1.00 0.00 ATOM 418 CG GLU 56 54.977 16.424 26.114 1.00 0.00 ATOM 419 CD GLU 56 55.319 16.485 27.589 1.00 0.00 ATOM 420 OE1 GLU 56 54.726 17.337 28.297 1.00 0.00 ATOM 421 OE2 GLU 56 56.165 15.678 28.037 1.00 0.00 ATOM 422 O GLU 56 53.222 13.938 28.077 1.00 0.00 ATOM 423 C GLU 56 52.678 14.979 27.696 1.00 0.00 ATOM 424 N GLU 57 52.041 15.805 28.524 1.00 0.00 ATOM 425 CA GLU 57 51.936 15.572 29.974 1.00 0.00 ATOM 426 CB GLU 57 51.117 16.692 30.642 1.00 0.00 ATOM 427 CG GLU 57 50.593 16.389 32.063 1.00 0.00 ATOM 428 CD GLU 57 51.331 17.119 33.190 1.00 0.00 ATOM 429 OE1 GLU 57 50.720 17.270 34.274 1.00 0.00 ATOM 430 OE2 GLU 57 52.501 17.533 33.005 1.00 0.00 ATOM 431 O GLU 57 51.835 13.523 31.212 1.00 0.00 ATOM 432 C GLU 57 51.339 14.218 30.314 1.00 0.00 ATOM 433 N GLU 58 50.266 13.861 29.607 1.00 0.00 ATOM 434 CA GLU 58 49.583 12.589 29.808 1.00 0.00 ATOM 435 CB GLU 58 48.245 12.568 29.059 1.00 0.00 ATOM 436 CG GLU 58 47.167 13.449 29.680 1.00 0.00 ATOM 437 CD GLU 58 45.884 13.442 28.868 1.00 0.00 ATOM 438 OE1 GLU 58 45.957 13.572 27.623 1.00 0.00 ATOM 439 OE2 GLU 58 44.797 13.301 29.472 1.00 0.00 ATOM 440 O GLU 58 50.461 10.378 30.165 1.00 0.00 ATOM 441 C GLU 58 50.435 11.368 29.428 1.00 0.00 ATOM 442 N PHE 59 51.140 11.456 28.300 1.00 0.00 ATOM 443 CA PHE 59 52.024 10.389 27.825 1.00 0.00 ATOM 444 CB PHE 59 52.532 10.739 26.421 1.00 0.00 ATOM 445 CG PHE 59 53.794 10.020 26.012 1.00 0.00 ATOM 446 CD1 PHE 59 53.731 8.761 25.392 1.00 0.00 ATOM 447 CD2 PHE 59 55.055 10.633 26.196 1.00 0.00 ATOM 448 CE1 PHE 59 54.909 8.096 24.973 1.00 0.00 ATOM 449 CE2 PHE 59 56.259 9.981 25.794 1.00 0.00 ATOM 450 CZ PHE 59 56.188 8.714 25.164 1.00 0.00 ATOM 451 O PHE 59 53.561 8.968 29.035 1.00 0.00 ATOM 452 C PHE 59 53.189 10.122 28.786 1.00 0.00 ATOM 453 N ARG 60 53.751 11.188 29.335 1.00 0.00 ATOM 454 CA ARG 60 54.887 11.058 30.211 1.00 0.00 ATOM 455 CB ARG 60 55.583 12.411 30.343 1.00 0.00 ATOM 456 CG ARG 60 56.941 12.349 30.990 1.00 0.00 ATOM 457 CD ARG 60 57.721 13.634 30.770 1.00 0.00 ATOM 458 NE ARG 60 56.866 14.796 30.521 1.00 0.00 ATOM 459 CZ ARG 60 56.331 15.553 31.471 1.00 0.00 ATOM 460 NH1 ARG 60 56.551 15.251 32.742 1.00 0.00 ATOM 461 NH2 ARG 60 55.553 16.587 31.149 1.00 0.00 ATOM 462 O ARG 60 55.190 9.665 32.151 1.00 0.00 ATOM 463 C ARG 60 54.480 10.494 31.573 1.00 0.00 ATOM 464 N THR 61 53.327 10.940 32.066 1.00 0.00 ATOM 465 CA THR 61 52.739 10.404 33.273 1.00 0.00 ATOM 466 CB THR 61 51.385 11.092 33.594 1.00 0.00 ATOM 467 CG2 THR 61 50.747 10.506 34.875 1.00 0.00 ATOM 468 OG1 THR 61 51.598 12.494 33.790 1.00 0.00 ATOM 469 O THR 61 52.952 8.117 33.989 1.00 0.00 ATOM 470 C THR 61 52.544 8.896 33.120 1.00 0.00 ATOM 471 N GLU 62 51.925 8.480 32.016 1.00 0.00 ATOM 472 CA GLU 62 51.704 7.055 31.789 1.00 0.00 ATOM 473 CB GLU 62 50.716 6.807 30.639 1.00 0.00 ATOM 474 CG GLU 62 49.330 7.338 30.898 1.00 0.00 ATOM 475 CD GLU 62 48.796 6.869 32.226 1.00 0.00 ATOM 476 OE1 GLU 62 48.835 7.659 33.203 1.00 0.00 ATOM 477 OE2 GLU 62 48.365 5.697 32.301 1.00 0.00 ATOM 478 O GLU 62 53.105 5.136 32.029 1.00 0.00 ATOM 479 C GLU 62 52.999 6.274 31.578 1.00 0.00 ATOM 480 N LEU 63 53.969 6.887 30.908 1.00 0.00 ATOM 481 CA LEU 63 55.258 6.242 30.637 1.00 0.00 ATOM 482 CB LEU 63 56.114 7.079 29.671 1.00 0.00 ATOM 483 CG LEU 63 56.951 6.428 28.551 1.00 0.00 ATOM 484 CD1 LEU 63 58.140 7.315 28.172 1.00 0.00 ATOM 485 CD2 LEU 63 57.436 5.008 28.814 1.00 0.00 ATOM 486 O LEU 63 56.664 4.995 32.127 1.00 0.00 ATOM 487 C LEU 63 56.032 6.034 31.937 1.00 0.00 ATOM 488 N SER 64 56.001 7.052 32.797 1.00 0.00 ATOM 489 CA SER 64 56.546 6.980 34.154 1.00 0.00 ATOM 490 CB SER 64 56.290 8.286 34.894 1.00 0.00 ATOM 491 OG SER 64 57.029 9.343 34.317 1.00 0.00 ATOM 492 O SER 64 56.645 4.977 35.489 1.00 0.00 ATOM 493 C SER 64 55.923 5.808 34.934 1.00 0.00 ATOM 494 N ARG 65 54.593 5.740 34.954 1.00 0.00 ATOM 495 CA ARG 65 53.874 4.634 35.586 1.00 0.00 ATOM 496 CB ARG 65 52.362 4.810 35.388 1.00 0.00 ATOM 497 CG ARG 65 51.434 3.840 36.178 1.00 0.00 ATOM 498 CD ARG 65 49.926 4.021 35.777 1.00 0.00 ATOM 499 NE ARG 65 49.646 5.429 35.431 1.00 0.00 ATOM 500 CZ ARG 65 49.373 6.398 36.315 1.00 0.00 ATOM 501 NH1 ARG 65 49.300 6.126 37.617 1.00 0.00 ATOM 502 NH2 ARG 65 49.164 7.645 35.899 1.00 0.00 ATOM 503 O ARG 65 54.623 2.368 35.730 1.00 0.00 ATOM 504 C ARG 65 54.358 3.305 35.002 1.00 0.00 ATOM 505 N TYR 66 54.519 3.263 33.683 1.00 0.00 ATOM 506 CA TYR 66 54.918 2.051 32.957 1.00 0.00 ATOM 507 CB TYR 66 54.811 2.330 31.449 1.00 0.00 ATOM 508 CG TYR 66 55.030 1.180 30.492 1.00 0.00 ATOM 509 CD1 TYR 66 53.945 0.504 29.927 1.00 0.00 ATOM 510 CD2 TYR 66 56.321 0.812 30.091 1.00 0.00 ATOM 511 CE1 TYR 66 54.142 -0.536 29.016 1.00 0.00 ATOM 512 CE2 TYR 66 56.528 -0.227 29.181 1.00 0.00 ATOM 513 CZ TYR 66 55.443 -0.886 28.640 1.00 0.00 ATOM 514 OH TYR 66 55.646 -1.920 27.736 1.00 0.00 ATOM 515 O TYR 66 56.510 0.305 33.455 1.00 0.00 ATOM 516 C TYR 66 56.306 1.508 33.347 1.00 0.00 ATOM 517 N ILE 67 57.260 2.393 33.566 1.00 0.00 ATOM 518 CA ILE 67 58.604 1.934 33.915 1.00 0.00 ATOM 519 CB ILE 67 59.700 2.667 33.089 1.00 0.00 ATOM 520 CG1 ILE 67 59.866 4.121 33.548 1.00 0.00 ATOM 521 CG2 ILE 67 59.367 2.586 31.570 1.00 0.00 ATOM 522 CD1 ILE 67 61.092 4.821 32.940 1.00 0.00 ATOM 523 O ILE 67 59.911 1.439 35.886 1.00 0.00 ATOM 524 C ILE 67 58.883 1.949 35.431 1.00 0.00 ATOM 525 N GLY 68 57.941 2.501 36.198 1.00 0.00 ATOM 526 CA GLY 68 58.091 2.667 37.644 1.00 0.00 ATOM 527 O GLY 68 59.977 3.427 38.886 1.00 0.00 ATOM 528 C GLY 68 59.179 3.660 37.990 1.00 0.00 ATOM 529 N LYS 69 59.213 4.769 37.258 1.00 0.00 ATOM 530 CA LYS 69 60.248 5.786 37.419 1.00 0.00 ATOM 531 CB LYS 69 61.544 5.342 36.724 1.00 0.00 ATOM 532 CG LYS 69 62.829 6.003 37.218 1.00 0.00 ATOM 533 CD LYS 69 63.937 5.843 36.181 1.00 0.00 ATOM 534 CE LYS 69 65.193 5.207 36.784 1.00 0.00 ATOM 535 NZ LYS 69 66.081 4.636 35.708 1.00 0.00 ATOM 536 O LYS 69 59.235 7.074 35.697 1.00 0.00 ATOM 537 C LYS 69 59.750 7.084 36.805 1.00 0.00 ATOM 538 N GLU 70 59.924 8.189 37.524 1.00 0.00 ATOM 539 CA GLU 70 59.479 9.502 37.073 1.00 0.00 ATOM 540 CB GLU 70 59.327 10.438 38.282 1.00 0.00 ATOM 541 CG GLU 70 59.885 11.852 38.117 1.00 0.00 ATOM 542 CD GLU 70 58.835 12.881 37.748 1.00 0.00 ATOM 543 OE1 GLU 70 57.636 12.656 38.062 1.00 0.00 ATOM 544 OE2 GLU 70 59.222 13.922 37.159 1.00 0.00 ATOM 545 O GLU 70 61.636 10.185 36.253 1.00 0.00 ATOM 546 C GLU 70 60.427 10.070 36.018 1.00 0.00 ATOM 547 N LEU 71 59.861 10.400 34.856 1.00 0.00 ATOM 548 CA LEU 71 60.569 11.038 33.758 1.00 0.00 ATOM 549 CB LEU 71 60.386 10.257 32.445 1.00 0.00 ATOM 550 CG LEU 71 60.702 8.759 32.560 1.00 0.00 ATOM 551 CD1 LEU 71 60.169 7.991 31.379 1.00 0.00 ATOM 552 CD2 LEU 71 62.206 8.508 32.754 1.00 0.00 ATOM 553 O LEU 71 58.853 12.706 33.671 1.00 0.00 ATOM 554 C LEU 71 60.053 12.450 33.587 1.00 0.00 ATOM 555 N THR 72 60.984 13.347 33.326 1.00 0.00 ATOM 556 CA THR 72 60.718 14.752 33.088 1.00 0.00 ATOM 557 CB THR 72 61.921 15.602 33.597 1.00 0.00 ATOM 558 CG2 THR 72 62.288 15.214 34.987 1.00 0.00 ATOM 559 OG1 THR 72 63.053 15.361 32.752 1.00 0.00 ATOM 560 O THR 72 60.956 14.186 30.739 1.00 0.00 ATOM 561 C THR 72 60.547 15.007 31.585 1.00 0.00 ATOM 562 N TYR 73 59.942 16.145 31.253 1.00 0.00 ATOM 563 CA TYR 73 59.895 16.606 29.886 1.00 0.00 ATOM 564 CB TYR 73 59.402 18.059 29.823 1.00 0.00 ATOM 565 CG TYR 73 59.346 18.583 28.413 1.00 0.00 ATOM 566 CD1 TYR 73 58.162 18.507 27.658 1.00 0.00 ATOM 567 CD2 TYR 73 60.477 19.120 27.809 1.00 0.00 ATOM 568 CE1 TYR 73 58.112 18.991 26.333 1.00 0.00 ATOM 569 CE2 TYR 73 60.445 19.584 26.500 1.00 0.00 ATOM 570 CZ TYR 73 59.266 19.515 25.776 1.00 0.00 ATOM 571 OH TYR 73 59.262 19.985 24.495 1.00 0.00 ATOM 572 O TYR 73 61.409 15.877 28.132 1.00 0.00 ATOM 573 C TYR 73 61.277 16.488 29.210 1.00 0.00 ATOM 574 N GLN 74 62.288 17.060 29.872 1.00 0.00 ATOM 575 CA GLN 74 63.622 17.210 29.328 1.00 0.00 ATOM 576 CB GLN 74 64.486 18.039 30.298 1.00 0.00 ATOM 577 CG GLN 74 65.859 18.400 29.792 1.00 0.00 ATOM 578 CD GLN 74 66.875 17.311 30.104 1.00 0.00 ATOM 579 OE1 GLN 74 66.860 16.732 31.205 1.00 0.00 ATOM 580 NE2 GLN 74 67.763 17.019 29.143 1.00 0.00 ATOM 581 O GLN 74 64.865 15.682 27.969 1.00 0.00 ATOM 582 C GLN 74 64.238 15.855 29.006 1.00 0.00 ATOM 583 N GLN 75 64.029 14.885 29.883 1.00 0.00 ATOM 584 CA GLN 75 64.535 13.519 29.676 1.00 0.00 ATOM 585 CB GLN 75 64.260 12.650 30.898 1.00 0.00 ATOM 586 CG GLN 75 65.202 12.900 32.048 1.00 0.00 ATOM 587 CD GLN 75 64.794 12.102 33.287 1.00 0.00 ATOM 588 OE1 GLN 75 63.626 12.101 33.692 1.00 0.00 ATOM 589 NE2 GLN 75 65.757 11.421 33.887 1.00 0.00 ATOM 590 O GLN 75 64.704 12.134 27.761 1.00 0.00 ATOM 591 C GLN 75 63.975 12.826 28.462 1.00 0.00 ATOM 592 N VAL 76 62.676 12.990 28.223 1.00 0.00 ATOM 593 CA VAL 76 62.018 12.287 27.132 1.00 0.00 ATOM 594 CB VAL 76 60.461 12.167 27.340 1.00 0.00 ATOM 595 CG1 VAL 76 59.789 11.525 26.111 1.00 0.00 ATOM 596 CG2 VAL 76 60.160 11.374 28.594 1.00 0.00 ATOM 597 O VAL 76 62.620 12.394 24.831 1.00 0.00 ATOM 598 C VAL 76 62.317 13.014 25.854 1.00 0.00 ATOM 599 N TYR 77 62.189 14.332 25.912 1.00 0.00 ATOM 600 CA TYR 77 62.584 15.208 24.816 1.00 0.00 ATOM 601 CB TYR 77 62.588 16.660 25.306 1.00 0.00 ATOM 602 CG TYR 77 63.108 17.615 24.280 1.00 0.00 ATOM 603 CD1 TYR 77 62.238 18.267 23.417 1.00 0.00 ATOM 604 CD2 TYR 77 64.487 17.870 24.158 1.00 0.00 ATOM 605 CE1 TYR 77 62.709 19.162 22.455 1.00 0.00 ATOM 606 CE2 TYR 77 64.971 18.745 23.190 1.00 0.00 ATOM 607 CZ TYR 77 64.062 19.392 22.339 1.00 0.00 ATOM 608 OH TYR 77 64.499 20.277 21.374 1.00 0.00 ATOM 609 O TYR 77 64.182 14.613 23.091 1.00 0.00 ATOM 610 C TYR 77 63.995 14.841 24.283 1.00 0.00 ATOM 611 N ASP 78 64.965 14.788 25.195 1.00 0.00 ATOM 612 CA ASP 78 66.334 14.401 24.880 1.00 0.00 ATOM 613 CB ASP 78 67.176 14.479 26.149 1.00 0.00 ATOM 614 CG ASP 78 68.582 13.989 25.940 1.00 0.00 ATOM 615 OD1 ASP 78 69.409 14.749 25.414 1.00 0.00 ATOM 616 OD2 ASP 78 68.862 12.832 26.322 1.00 0.00 ATOM 617 O ASP 78 67.282 12.818 23.314 1.00 0.00 ATOM 618 C ASP 78 66.478 13.003 24.234 1.00 0.00 ATOM 619 N ALA 79 65.722 12.026 24.728 1.00 0.00 ATOM 620 CA ALA 79 65.721 10.688 24.134 1.00 0.00 ATOM 621 CB ALA 79 65.064 9.684 25.077 1.00 0.00 ATOM 622 O ALA 79 65.572 10.017 21.831 1.00 0.00 ATOM 623 C ALA 79 65.053 10.648 22.759 1.00 0.00 ATOM 624 N LEU 80 63.902 11.300 22.620 1.00 0.00 ATOM 625 CA LEU 80 63.242 11.346 21.331 1.00 0.00 ATOM 626 CB LEU 80 61.864 12.000 21.444 1.00 0.00 ATOM 627 CG LEU 80 60.563 11.203 21.186 1.00 0.00 ATOM 628 CD1 LEU 80 60.689 9.762 20.628 1.00 0.00 ATOM 629 CD2 LEU 80 59.648 11.263 22.386 1.00 0.00 ATOM 630 O LEU 80 64.238 11.644 19.150 1.00 0.00 ATOM 631 C LEU 80 64.123 12.062 20.304 1.00 0.00 ATOM 632 N LEU 81 64.783 13.130 20.716 1.00 0.00 ATOM 633 CA LEU 81 65.628 13.830 19.764 1.00 0.00 ATOM 634 CB LEU 81 65.986 15.224 20.274 1.00 0.00 ATOM 635 CG LEU 81 65.091 16.253 19.591 1.00 0.00 ATOM 636 CD1 LEU 81 63.623 16.249 20.048 1.00 0.00 ATOM 637 CD2 LEU 81 65.735 17.533 19.938 1.00 0.00 ATOM 638 O LEU 81 67.553 13.466 18.376 1.00 0.00 ATOM 639 C LEU 81 66.881 13.039 19.307 1.00 0.00 ATOM 640 N GLY 82 67.159 11.896 19.946 1.00 0.00 ATOM 641 CA GLY 82 68.187 10.975 19.478 1.00 0.00 ATOM 642 O GLY 82 68.799 10.009 17.385 1.00 0.00 ATOM 643 C GLY 82 67.888 10.423 18.092 1.00 0.00 ATOM 644 N PHE 83 66.602 10.383 17.737 1.00 0.00 ATOM 645 CA PHE 83 66.132 10.031 16.401 1.00 0.00 ATOM 646 CB PHE 83 64.593 10.122 16.333 1.00 0.00 ATOM 647 CG PHE 83 63.884 8.795 16.380 1.00 0.00 ATOM 648 CD1 PHE 83 63.824 7.986 15.257 1.00 0.00 ATOM 649 CD2 PHE 83 63.244 8.368 17.550 1.00 0.00 ATOM 650 CE1 PHE 83 63.118 6.760 15.281 1.00 0.00 ATOM 651 CE2 PHE 83 62.553 7.129 17.602 1.00 0.00 ATOM 652 CZ PHE 83 62.492 6.329 16.466 1.00 0.00 ATOM 653 O PHE 83 66.880 10.445 14.167 1.00 0.00 ATOM 654 C PHE 83 66.688 10.924 15.289 1.00 0.00 ATOM 655 N LEU 84 66.938 12.205 15.591 1.00 0.00 ATOM 656 CA LEU 84 67.206 13.183 14.533 1.00 0.00 ATOM 657 CB LEU 84 66.600 14.565 14.852 1.00 0.00 ATOM 658 CG LEU 84 65.198 14.779 15.451 1.00 0.00 ATOM 659 CD1 LEU 84 64.763 16.219 15.182 1.00 0.00 ATOM 660 CD2 LEU 84 64.094 13.805 14.972 1.00 0.00 ATOM 661 O LEU 84 69.442 14.030 14.826 1.00 0.00 ATOM 662 C LEU 84 68.696 13.273 14.201 1.00 0.00 ATOM 663 N GLU 85 69.114 12.494 13.205 1.00 0.00 ATOM 664 CA GLU 85 70.528 12.326 12.886 1.00 0.00 ATOM 665 CB GLU 85 70.771 10.929 12.296 1.00 0.00 ATOM 666 CG GLU 85 72.239 10.438 12.310 1.00 0.00 ATOM 667 CD GLU 85 72.900 10.612 10.957 1.00 0.00 ATOM 668 OE1 GLU 85 74.162 10.615 10.869 1.00 0.00 ATOM 669 OE2 GLU 85 72.149 10.767 9.959 1.00 0.00 ATOM 670 O GLU 85 72.195 13.847 12.120 1.00 0.00 ATOM 671 C GLU 85 71.056 13.428 11.975 1.00 0.00 ATOM 672 N GLU 86 70.232 13.898 11.038 1.00 0.00 ATOM 673 CA GLU 86 70.558 15.082 10.251 1.00 0.00 ATOM 674 CB GLU 86 71.442 14.768 9.036 1.00 0.00 ATOM 675 CG GLU 86 71.624 16.042 8.181 1.00 0.00 ATOM 676 CD GLU 86 72.594 15.930 7.010 1.00 0.00 ATOM 677 OE1 GLU 86 72.534 14.928 6.257 1.00 0.00 ATOM 678 OE2 GLU 86 73.393 16.884 6.827 1.00 0.00 ATOM 679 O GLU 86 68.486 15.332 9.064 1.00 0.00 ATOM 680 C GLU 86 69.346 15.866 9.770 1.00 0.00 ATOM 681 N ILE 87 69.304 17.140 10.130 1.00 0.00 ATOM 682 CA ILE 87 68.341 18.064 9.578 1.00 0.00 ATOM 683 CB ILE 87 67.964 19.127 10.628 1.00 0.00 ATOM 684 CG1 ILE 87 67.414 18.419 11.893 1.00 0.00 ATOM 685 CG2 ILE 87 66.984 20.130 10.045 1.00 0.00 ATOM 686 CD1 ILE 87 67.404 19.235 13.196 1.00 0.00 ATOM 687 O ILE 87 69.894 19.444 8.326 1.00 0.00 ATOM 688 C ILE 87 68.949 18.636 8.289 1.00 0.00 ATOM 689 N SER 88 68.440 18.169 7.143 1.00 0.00 ATOM 690 CA SER 88 69.022 18.505 5.835 1.00 0.00 ATOM 691 CB SER 88 68.469 17.612 4.720 1.00 0.00 ATOM 692 OG SER 88 69.306 17.721 3.570 1.00 0.00 ATOM 693 O SER 88 67.801 20.370 4.938 1.00 0.00 ATOM 694 C SER 88 68.843 19.971 5.449 1.00 0.00 ATOM 695 N ALA 89 69.860 20.767 5.728 1.00 0.00 ATOM 696 CA ALA 89 69.903 22.151 5.283 1.00 0.00 ATOM 697 CB ALA 89 71.262 22.806 5.668 1.00 0.00 ATOM 698 O ALA 89 68.887 23.143 3.344 1.00 0.00 ATOM 699 C ALA 89 69.658 22.279 3.765 1.00 0.00 ATOM 700 N GLU 90 70.307 21.430 2.955 1.00 0.00 ATOM 701 CA GLU 90 70.179 21.534 1.505 1.00 0.00 ATOM 702 CB GLU 90 71.295 20.801 0.748 1.00 0.00 ATOM 703 CG GLU 90 71.153 19.292 0.505 1.00 0.00 ATOM 704 CD GLU 90 72.350 18.738 -0.313 1.00 0.00 ATOM 705 OE1 GLU 90 72.411 18.980 -1.555 1.00 0.00 ATOM 706 OE2 GLU 90 73.244 18.075 0.293 1.00 0.00 ATOM 707 O GLU 90 68.325 21.865 0.048 1.00 0.00 ATOM 708 C GLU 90 68.781 21.213 0.976 1.00 0.00 ATOM 709 N LYS 91 68.101 20.241 1.584 1.00 0.00 ATOM 710 CA LYS 91 66.734 19.927 1.191 1.00 0.00 ATOM 711 CB LYS 91 66.284 18.576 1.727 1.00 0.00 ATOM 712 CG LYS 91 67.074 17.405 1.151 1.00 0.00 ATOM 713 CD LYS 91 66.617 16.116 1.809 1.00 0.00 ATOM 714 CE LYS 91 67.466 14.908 1.443 1.00 0.00 ATOM 715 NZ LYS 91 66.957 13.697 2.167 1.00 0.00 ATOM 716 O LYS 91 64.840 21.332 0.858 1.00 0.00 ATOM 717 C LYS 91 65.777 21.040 1.591 1.00 0.00 ATOM 718 N PHE 92 66.033 21.700 2.723 1.00 0.00 ATOM 719 CA PHE 92 65.225 22.876 3.069 1.00 0.00 ATOM 720 CB PHE 92 65.403 23.277 4.533 1.00 0.00 ATOM 721 CG PHE 92 64.556 22.482 5.462 1.00 0.00 ATOM 722 CD1 PHE 92 63.189 22.762 5.593 1.00 0.00 ATOM 723 CD2 PHE 92 65.096 21.418 6.177 1.00 0.00 ATOM 724 CE1 PHE 92 62.368 22.009 6.471 1.00 0.00 ATOM 725 CE2 PHE 92 64.288 20.650 7.039 1.00 0.00 ATOM 726 CZ PHE 92 62.921 20.958 7.190 1.00 0.00 ATOM 727 O PHE 92 64.527 24.736 1.727 1.00 0.00 ATOM 728 C PHE 92 65.470 24.053 2.122 1.00 0.00 ATOM 729 N ASP 93 66.733 24.274 1.760 1.00 0.00 ATOM 730 CA ASP 93 67.070 25.254 0.740 1.00 0.00 ATOM 731 CB ASP 93 68.592 25.305 0.505 1.00 0.00 ATOM 732 CG ASP 93 69.310 26.140 1.547 1.00 0.00 ATOM 733 OD1 ASP 93 68.628 26.884 2.295 1.00 0.00 ATOM 734 OD2 ASP 93 70.552 26.071 1.624 1.00 0.00 ATOM 735 O ASP 93 65.796 25.912 -1.177 1.00 0.00 ATOM 736 C ASP 93 66.338 24.986 -0.577 1.00 0.00 ATOM 737 N TYR 94 66.319 23.719 -1.000 1.00 0.00 ATOM 738 CA TYR 94 65.679 23.322 -2.238 1.00 0.00 ATOM 739 CB TYR 94 65.963 21.857 -2.568 1.00 0.00 ATOM 740 CG TYR 94 65.180 21.397 -3.768 1.00 0.00 ATOM 741 CD1 TYR 94 65.407 21.965 -5.034 1.00 0.00 ATOM 742 CD2 TYR 94 64.202 20.426 -3.648 1.00 0.00 ATOM 743 CE1 TYR 94 64.662 21.567 -6.153 1.00 0.00 ATOM 744 CE2 TYR 94 63.443 20.007 -4.766 1.00 0.00 ATOM 745 CZ TYR 94 63.682 20.587 -6.008 1.00 0.00 ATOM 746 OH TYR 94 62.962 20.185 -7.103 1.00 0.00 ATOM 747 O TYR 94 63.581 24.055 -3.131 1.00 0.00 ATOM 748 C TYR 94 64.174 23.566 -2.183 1.00 0.00 ATOM 749 N ILE 95 63.573 23.215 -1.062 1.00 0.00 ATOM 750 CA ILE 95 62.154 23.412 -0.826 1.00 0.00 ATOM 751 CB ILE 95 61.742 22.768 0.535 1.00 0.00 ATOM 752 CG1 ILE 95 61.688 21.255 0.397 1.00 0.00 ATOM 753 CG2 ILE 95 60.383 23.242 1.050 1.00 0.00 ATOM 754 CD1 ILE 95 61.216 20.607 1.666 1.00 0.00 ATOM 755 O ILE 95 60.900 25.343 -1.437 1.00 0.00 ATOM 756 C ILE 95 61.877 24.909 -0.871 1.00 0.00 ATOM 757 N ASP 96 62.767 25.697 -0.293 1.00 0.00 ATOM 758 CA ASP 96 62.588 27.130 -0.290 1.00 0.00 ATOM 759 CB ASP 96 63.679 27.805 0.529 1.00 0.00 ATOM 760 CG ASP 96 63.352 29.255 0.822 1.00 0.00 ATOM 761 OD1 ASP 96 64.175 30.132 0.475 1.00 0.00 ATOM 762 OD2 ASP 96 62.244 29.514 1.367 1.00 0.00 ATOM 763 O ASP 96 61.844 28.700 -1.954 1.00 0.00 ATOM 764 C ASP 96 62.554 27.715 -1.706 1.00 0.00 ATOM 765 N SER 97 63.318 27.107 -2.621 1.00 0.00 ATOM 766 CA SER 97 63.325 27.507 -4.025 1.00 0.00 ATOM 767 CB SER 97 64.530 26.915 -4.766 1.00 0.00 ATOM 768 OG SER 97 64.389 25.530 -4.983 1.00 0.00 ATOM 769 O SER 97 61.717 27.709 -5.778 1.00 0.00 ATOM 770 C SER 97 62.034 27.137 -4.744 1.00 0.00 ATOM 771 N LEU 98 61.289 26.181 -4.192 1.00 0.00 ATOM 772 CA LEU 98 60.089 25.700 -4.834 1.00 0.00 ATOM 773 CB LEU 98 59.785 24.280 -4.376 1.00 0.00 ATOM 774 CG LEU 98 60.717 23.177 -4.864 1.00 0.00 ATOM 775 CD1 LEU 98 60.221 21.855 -4.330 1.00 0.00 ATOM 776 CD2 LEU 98 60.766 23.148 -6.366 1.00 0.00 ATOM 777 O LEU 98 57.893 26.483 -5.269 1.00 0.00 ATOM 778 C LEU 98 58.886 26.588 -4.573 1.00 0.00 ATOM 779 N ARG 99 58.970 27.469 -3.578 1.00 0.00 ATOM 780 CA ARG 99 57.760 28.147 -3.076 1.00 0.00 ATOM 781 CB ARG 99 57.986 28.885 -1.753 1.00 0.00 ATOM 782 CG ARG 99 56.651 29.326 -1.094 1.00 0.00 ATOM 783 CD ARG 99 56.056 28.286 -0.126 1.00 0.00 ATOM 784 NE ARG 99 56.325 28.698 1.251 1.00 0.00 ATOM 785 CZ ARG 99 55.397 29.066 2.128 1.00 0.00 ATOM 786 NH1 ARG 99 54.113 29.033 1.797 1.00 0.00 ATOM 787 NH2 ARG 99 55.748 29.440 3.353 1.00 0.00 ATOM 788 O ARG 99 55.817 29.133 -4.060 1.00 0.00 ATOM 789 C ARG 99 57.053 29.070 -4.057 1.00 0.00 ATOM 790 N PRO 100 57.801 29.808 -4.874 1.00 0.00 ATOM 791 CA PRO 100 57.026 30.633 -5.778 1.00 0.00 ATOM 792 CB PRO 100 58.082 31.556 -6.402 1.00 0.00 ATOM 793 CG PRO 100 59.293 31.429 -5.530 1.00 0.00 ATOM 794 CD PRO 100 59.246 30.030 -5.026 1.00 0.00 ATOM 795 O PRO 100 55.334 30.384 -7.439 1.00 0.00 ATOM 796 C PRO 100 56.278 29.853 -6.868 1.00 0.00 ATOM 797 N ASP 101 56.688 28.622 -7.160 1.00 0.00 ATOM 798 CA ASP 101 56.123 27.889 -8.296 1.00 0.00 ATOM 799 CB ASP 101 57.237 27.234 -9.123 1.00 0.00 ATOM 800 CG ASP 101 58.144 28.255 -9.835 1.00 0.00 ATOM 801 OD1 ASP 101 58.040 28.385 -11.063 1.00 0.00 ATOM 802 OD2 ASP 101 58.980 28.918 -9.183 1.00 0.00 ATOM 803 O ASP 101 54.381 26.314 -8.723 1.00 0.00 ATOM 804 C ASP 101 55.099 26.831 -7.892 1.00 0.00 ATOM 805 N TYR 102 55.061 26.497 -6.615 1.00 0.00 ATOM 806 CA TYR 102 54.255 25.388 -6.116 1.00 0.00 ATOM 807 CB TYR 102 55.100 24.103 -5.922 1.00 0.00 ATOM 808 CG TYR 102 55.684 23.594 -7.207 1.00 0.00 ATOM 809 CD1 TYR 102 54.922 22.803 -8.073 1.00 0.00 ATOM 810 CD2 TYR 102 56.999 23.924 -7.576 1.00 0.00 ATOM 811 CE1 TYR 102 55.439 22.356 -9.272 1.00 0.00 ATOM 812 CE2 TYR 102 57.540 23.487 -8.794 1.00 0.00 ATOM 813 CZ TYR 102 56.744 22.706 -9.648 1.00 0.00 ATOM 814 OH TYR 102 57.260 22.265 -10.862 1.00 0.00 ATOM 815 O TYR 102 54.245 26.622 -4.056 1.00 0.00 ATOM 816 C TYR 102 53.676 25.780 -4.786 1.00 0.00 ATOM 817 N ARG 103 52.557 25.142 -4.475 1.00 0.00 ATOM 818 CA ARG 103 52.046 25.120 -3.139 1.00 0.00 ATOM 819 CB ARG 103 50.534 25.011 -3.188 1.00 0.00 ATOM 820 CG ARG 103 49.891 26.271 -3.708 1.00 0.00 ATOM 821 CD ARG 103 48.388 26.170 -3.656 1.00 0.00 ATOM 822 NE ARG 103 47.851 26.280 -2.300 1.00 0.00 ATOM 823 CZ ARG 103 46.747 25.659 -1.885 1.00 0.00 ATOM 824 NH1 ARG 103 46.074 24.853 -2.710 1.00 0.00 ATOM 825 NH2 ARG 103 46.330 25.820 -0.633 1.00 0.00 ATOM 826 O ARG 103 52.713 22.817 -2.921 1.00 0.00 ATOM 827 C ARG 103 52.695 23.938 -2.406 1.00 0.00 ATOM 828 N LEU 104 53.247 24.207 -1.224 1.00 0.00 ATOM 829 CA LEU 104 54.066 23.262 -0.492 1.00 0.00 ATOM 830 CB LEU 104 55.467 23.839 -0.264 1.00 0.00 ATOM 831 CG LEU 104 56.231 24.215 -1.529 1.00 0.00 ATOM 832 CD1 LEU 104 57.567 24.821 -1.177 1.00 0.00 ATOM 833 CD2 LEU 104 56.386 23.010 -2.479 1.00 0.00 ATOM 834 O LEU 104 53.003 23.874 1.547 1.00 0.00 ATOM 835 C LEU 104 53.440 22.969 0.843 1.00 0.00 ATOM 836 N PHE 105 53.403 21.689 1.192 1.00 0.00 ATOM 837 CA PHE 105 52.766 21.229 2.412 1.00 0.00 ATOM 838 CB PHE 105 51.388 20.668 2.082 1.00 0.00 ATOM 839 CG PHE 105 50.517 21.650 1.353 1.00 0.00 ATOM 840 CD1 PHE 105 49.779 22.606 2.061 1.00 0.00 ATOM 841 CD2 PHE 105 50.467 21.650 -0.041 1.00 0.00 ATOM 842 CE1 PHE 105 49.006 23.538 1.388 1.00 0.00 ATOM 843 CE2 PHE 105 49.673 22.565 -0.714 1.00 0.00 ATOM 844 CZ PHE 105 48.944 23.509 0.000 1.00 0.00 ATOM 845 O PHE 105 54.407 19.503 2.462 1.00 0.00 ATOM 846 C PHE 105 53.635 20.190 3.104 1.00 0.00 ATOM 847 N LEU 106 53.524 20.120 4.425 1.00 0.00 ATOM 848 CA LEU 106 54.114 19.036 5.190 1.00 0.00 ATOM 849 CB LEU 106 54.996 19.577 6.321 1.00 0.00 ATOM 850 CG LEU 106 55.873 18.558 7.074 1.00 0.00 ATOM 851 CD1 LEU 106 57.212 18.317 6.373 1.00 0.00 ATOM 852 CD2 LEU 106 56.091 18.989 8.553 1.00 0.00 ATOM 853 O LEU 106 52.015 18.617 6.310 1.00 0.00 ATOM 854 C LEU 106 53.000 18.131 5.739 1.00 0.00 ATOM 855 N LEU 107 53.134 16.822 5.545 1.00 0.00 ATOM 856 CA LEU 107 52.213 15.898 6.196 1.00 0.00 ATOM 857 CB LEU 107 51.243 15.203 5.223 1.00 0.00 ATOM 858 CG LEU 107 50.339 14.133 5.845 1.00 0.00 ATOM 859 CD1 LEU 107 49.413 14.789 6.840 1.00 0.00 ATOM 860 CD2 LEU 107 49.531 13.286 4.804 1.00 0.00 ATOM 861 O LEU 107 53.728 14.036 6.414 1.00 0.00 ATOM 862 C LEU 107 53.063 14.899 6.979 1.00 0.00 ATOM 863 N SER 108 52.977 15.008 8.300 1.00 0.00 ATOM 864 CA SER 108 53.926 14.338 9.155 1.00 0.00 ATOM 865 CB SER 108 54.993 15.359 9.576 1.00 0.00 ATOM 866 OG SER 108 55.782 14.844 10.600 1.00 0.00 ATOM 867 O SER 108 52.486 14.297 11.058 1.00 0.00 ATOM 868 C SER 108 53.291 13.678 10.370 1.00 0.00 ATOM 869 N ASN 109 53.647 12.414 10.613 1.00 0.00 ATOM 870 CA ASN 109 53.425 11.805 11.934 1.00 0.00 ATOM 871 CB ASN 109 53.374 10.281 11.911 1.00 0.00 ATOM 872 CG ASN 109 52.085 9.749 11.385 1.00 0.00 ATOM 873 ND2 ASN 109 52.036 8.444 11.215 1.00 0.00 ATOM 874 OD1 ASN 109 51.132 10.488 11.121 1.00 0.00 ATOM 875 O ASN 109 55.712 11.915 12.624 1.00 0.00 ATOM 876 C ASN 109 54.547 12.248 12.849 1.00 0.00 ATOM 877 N THR 110 54.187 12.971 13.902 1.00 0.00 ATOM 878 CA THR 110 55.191 13.571 14.741 1.00 0.00 ATOM 879 CB THR 110 55.763 14.867 14.063 1.00 0.00 ATOM 880 CG2 THR 110 54.796 16.054 14.165 1.00 0.00 ATOM 881 OG1 THR 110 57.026 15.210 14.645 1.00 0.00 ATOM 882 O THR 110 53.432 13.641 16.384 1.00 0.00 ATOM 883 C THR 110 54.624 13.820 16.136 1.00 0.00 ATOM 884 N ASN 111 55.489 14.235 17.054 1.00 0.00 ATOM 885 CA ASN 111 55.081 14.366 18.421 1.00 0.00 ATOM 886 CB ASN 111 55.860 13.369 19.245 1.00 0.00 ATOM 887 CG ASN 111 57.338 13.552 19.103 1.00 0.00 ATOM 888 ND2 ASN 111 57.969 12.666 18.352 1.00 0.00 ATOM 889 OD1 ASN 111 57.922 14.502 19.660 1.00 0.00 ATOM 890 O ASN 111 56.030 16.518 18.100 1.00 0.00 ATOM 891 C ASN 111 55.347 15.816 18.824 1.00 0.00 ATOM 892 N PRO 112 54.765 16.284 19.949 1.00 0.00 ATOM 893 CA PRO 112 54.996 17.655 20.455 1.00 0.00 ATOM 894 CB PRO 112 54.266 17.661 21.800 1.00 0.00 ATOM 895 CG PRO 112 53.290 16.620 21.690 1.00 0.00 ATOM 896 CD PRO 112 53.807 15.554 20.786 1.00 0.00 ATOM 897 O PRO 112 56.747 19.276 20.573 1.00 0.00 ATOM 898 C PRO 112 56.457 18.082 20.680 1.00 0.00 ATOM 899 N TYR 113 57.336 17.135 21.031 1.00 0.00 ATOM 900 CA TYR 113 58.751 17.415 21.296 1.00 0.00 ATOM 901 CB TYR 113 59.485 16.191 21.859 1.00 0.00 ATOM 902 CG TYR 113 58.867 15.581 23.093 1.00 0.00 ATOM 903 CD1 TYR 113 59.061 16.152 24.355 1.00 0.00 ATOM 904 CD2 TYR 113 58.080 14.424 23.003 1.00 0.00 ATOM 905 CE1 TYR 113 58.484 15.586 25.486 1.00 0.00 ATOM 906 CE2 TYR 113 57.511 13.860 24.129 1.00 0.00 ATOM 907 CZ TYR 113 57.713 14.439 25.362 1.00 0.00 ATOM 908 OH TYR 113 57.145 13.864 26.468 1.00 0.00 ATOM 909 O TYR 113 60.112 18.895 19.992 1.00 0.00 ATOM 910 C TYR 113 59.445 17.861 20.013 1.00 0.00 ATOM 911 N VAL 114 59.283 17.085 18.947 1.00 0.00 ATOM 912 CA VAL 114 59.911 17.418 17.676 1.00 0.00 ATOM 913 CB VAL 114 59.752 16.265 16.637 1.00 0.00 ATOM 914 CG1 VAL 114 60.251 16.684 15.246 1.00 0.00 ATOM 915 CG2 VAL 114 60.541 15.054 17.107 1.00 0.00 ATOM 916 O VAL 114 60.086 19.595 16.673 1.00 0.00 ATOM 917 C VAL 114 59.355 18.753 17.175 1.00 0.00 ATOM 918 N LEU 115 58.058 18.947 17.368 1.00 0.00 ATOM 919 CA LEU 115 57.413 20.193 17.010 1.00 0.00 ATOM 920 CB LEU 115 55.901 20.067 17.135 1.00 0.00 ATOM 921 CG LEU 115 55.194 19.405 15.959 1.00 0.00 ATOM 922 CD1 LEU 115 53.679 19.476 16.192 1.00 0.00 ATOM 923 CD2 LEU 115 55.604 20.071 14.629 1.00 0.00 ATOM 924 O LEU 115 58.109 22.461 17.240 1.00 0.00 ATOM 925 C LEU 115 57.928 21.384 17.814 1.00 0.00 ATOM 926 N ASP 116 58.167 21.202 19.116 1.00 0.00 ATOM 927 CA ASP 116 58.824 22.226 19.902 1.00 0.00 ATOM 928 CB ASP 116 58.944 21.818 21.386 1.00 0.00 ATOM 929 CG ASP 116 57.577 21.849 22.151 1.00 0.00 ATOM 930 OD1 ASP 116 56.532 22.271 21.584 1.00 0.00 ATOM 931 OD2 ASP 116 57.532 21.427 23.343 1.00 0.00 ATOM 932 O ASP 116 60.545 23.770 19.177 1.00 0.00 ATOM 933 C ASP 116 60.196 22.585 19.281 1.00 0.00 ATOM 934 N LEU 117 60.962 21.583 18.855 1.00 0.00 ATOM 935 CA LEU 117 62.262 21.845 18.231 1.00 0.00 ATOM 936 CB LEU 117 63.089 20.559 18.031 1.00 0.00 ATOM 937 CG LEU 117 64.332 20.792 17.130 1.00 0.00 ATOM 938 CD1 LEU 117 65.299 21.830 17.690 1.00 0.00 ATOM 939 CD2 LEU 117 65.056 19.506 16.757 1.00 0.00 ATOM 940 O LEU 117 62.770 23.579 16.627 1.00 0.00 ATOM 941 C LEU 117 62.102 22.574 16.895 1.00 0.00 ATOM 942 N ALA 118 61.208 22.046 16.073 1.00 0.00 ATOM 943 CA ALA 118 60.947 22.560 14.732 1.00 0.00 ATOM 944 CB ALA 118 59.993 21.623 13.982 1.00 0.00 ATOM 945 O ALA 118 60.634 24.687 13.710 1.00 0.00 ATOM 946 C ALA 118 60.428 23.995 14.693 1.00 0.00 ATOM 947 N MET 119 59.765 24.430 15.755 1.00 0.00 ATOM 948 CA MET 119 59.212 25.776 15.785 1.00 0.00 ATOM 949 CB MET 119 57.759 25.747 16.283 1.00 0.00 ATOM 950 CG MET 119 56.832 24.872 15.427 1.00 0.00 ATOM 951 SD MET 119 56.663 25.515 13.572 1.00 0.00 ATOM 952 CE MET 119 55.489 27.044 13.961 1.00 0.00 ATOM 953 O MET 119 59.639 27.836 16.936 1.00 0.00 ATOM 954 C MET 119 60.079 26.738 16.596 1.00 0.00 ATOM 955 N SER 120 61.312 26.321 16.896 1.00 0.00 ATOM 956 CA SER 120 62.281 27.176 17.556 1.00 0.00 ATOM 957 CB SER 120 62.984 26.427 18.696 1.00 0.00 ATOM 958 OG SER 120 63.972 25.551 18.207 1.00 0.00 ATOM 959 O SER 120 63.345 27.317 15.401 1.00 0.00 ATOM 960 C SER 120 63.293 27.753 16.552 1.00 0.00 ATOM 961 N PRO 121 64.058 28.779 16.966 1.00 0.00 ATOM 962 CA PRO 121 65.149 29.254 16.104 1.00 0.00 ATOM 963 CB PRO 121 65.426 30.665 16.633 1.00 0.00 ATOM 964 CG PRO 121 65.031 30.618 18.090 1.00 0.00 ATOM 965 CD PRO 121 63.908 29.592 18.191 1.00 0.00 ATOM 966 O PRO 121 67.474 28.780 15.619 1.00 0.00 ATOM 967 C PRO 121 66.426 28.376 16.130 1.00 0.00 ATOM 968 N ARG 122 66.316 27.172 16.679 1.00 0.00 ATOM 969 CA ARG 122 67.441 26.239 16.763 1.00 0.00 ATOM 970 CB ARG 122 67.559 25.714 18.192 1.00 0.00 ATOM 971 CG ARG 122 67.635 26.829 19.197 1.00 0.00 ATOM 972 CD ARG 122 68.656 27.899 18.747 1.00 0.00 ATOM 973 NE ARG 122 68.915 28.839 19.828 1.00 0.00 ATOM 974 CZ ARG 122 69.833 29.799 19.793 1.00 0.00 ATOM 975 NH1 ARG 122 69.976 30.587 20.846 1.00 0.00 ATOM 976 NH2 ARG 122 70.599 29.969 18.714 1.00 0.00 ATOM 977 O ARG 122 68.069 24.124 15.802 1.00 0.00 ATOM 978 C ARG 122 67.262 25.061 15.808 1.00 0.00 ATOM 979 N PHE 123 66.202 25.095 15.016 1.00 0.00 ATOM 980 CA PHE 123 65.928 23.983 14.131 1.00 0.00 ATOM 981 CB PHE 123 64.478 24.043 13.652 1.00 0.00 ATOM 982 CG PHE 123 64.092 22.932 12.713 1.00 0.00 ATOM 983 CD1 PHE 123 64.247 21.604 13.079 1.00 0.00 ATOM 984 CD2 PHE 123 63.533 23.228 11.472 1.00 0.00 ATOM 985 CE1 PHE 123 63.878 20.604 12.219 1.00 0.00 ATOM 986 CE2 PHE 123 63.170 22.241 10.610 1.00 0.00 ATOM 987 CZ PHE 123 63.333 20.926 10.967 1.00 0.00 ATOM 988 O PHE 123 67.454 22.869 12.675 1.00 0.00 ATOM 989 C PHE 123 66.938 23.929 12.975 1.00 0.00 ATOM 990 N LEU 124 67.246 25.087 12.386 1.00 0.00 ATOM 991 CA LEU 124 68.122 25.203 11.211 1.00 0.00 ATOM 992 CB LEU 124 67.309 25.506 9.956 1.00 0.00 ATOM 993 CG LEU 124 66.568 24.348 9.279 1.00 0.00 ATOM 994 CD1 LEU 124 65.400 24.867 8.485 1.00 0.00 ATOM 995 CD2 LEU 124 67.508 23.569 8.374 1.00 0.00 ATOM 996 O LEU 124 68.860 27.316 12.060 1.00 0.00 ATOM 997 C LEU 124 69.139 26.311 11.383 1.00 0.00 ATOM 998 N PRO 125 70.319 26.164 10.744 1.00 0.00 ATOM 999 CA PRO 125 71.346 27.181 10.922 1.00 0.00 ATOM 1000 CB PRO 125 72.432 26.761 9.924 1.00 0.00 ATOM 1001 CG PRO 125 72.276 25.293 9.826 1.00 0.00 ATOM 1002 CD PRO 125 70.776 25.095 9.833 1.00 0.00 ATOM 1003 O PRO 125 71.277 29.553 11.139 1.00 0.00 ATOM 1004 C PRO 125 70.815 28.559 10.582 1.00 0.00 ATOM 1005 N SER 126 69.824 28.605 9.697 1.00 0.00 ATOM 1006 CA SER 126 69.283 29.864 9.233 1.00 0.00 ATOM 1007 CB SER 126 68.530 29.657 7.918 1.00 0.00 ATOM 1008 OG SER 126 67.410 28.797 8.085 1.00 0.00 ATOM 1009 O SER 126 68.103 31.713 10.151 1.00 0.00 ATOM 1010 C SER 126 68.386 30.531 10.268 1.00 0.00 ATOM 1011 N GLY 127 67.946 29.771 11.274 1.00 0.00 ATOM 1012 CA GLY 127 66.974 30.252 12.260 1.00 0.00 ATOM 1013 O GLY 127 64.654 30.912 12.270 1.00 0.00 ATOM 1014 C GLY 127 65.548 30.257 11.721 1.00 0.00 ATOM 1015 N ARG 128 65.320 29.528 10.639 1.00 0.00 ATOM 1016 CA ARG 128 64.003 29.504 10.045 1.00 0.00 ATOM 1017 CB ARG 128 64.103 29.428 8.524 1.00 0.00 ATOM 1018 CG ARG 128 64.324 30.826 7.936 1.00 0.00 ATOM 1019 CD ARG 128 64.116 30.906 6.462 1.00 0.00 ATOM 1020 NE ARG 128 62.826 30.358 6.050 1.00 0.00 ATOM 1021 CZ ARG 128 62.536 30.039 4.796 1.00 0.00 ATOM 1022 NH1 ARG 128 61.366 29.524 4.508 1.00 0.00 ATOM 1023 NH2 ARG 128 63.424 30.241 3.820 1.00 0.00 ATOM 1024 O ARG 128 63.670 27.297 10.913 1.00 0.00 ATOM 1025 C ARG 128 63.166 28.397 10.649 1.00 0.00 ATOM 1026 N THR 129 61.900 28.704 10.915 1.00 0.00 ATOM 1027 CA THR 129 61.018 27.738 11.537 1.00 0.00 ATOM 1028 CB THR 129 59.824 28.403 12.264 1.00 0.00 ATOM 1029 CG2 THR 129 60.296 29.214 13.459 1.00 0.00 ATOM 1030 OG1 THR 129 59.131 29.273 11.356 1.00 0.00 ATOM 1031 O THR 129 60.480 27.177 9.271 1.00 0.00 ATOM 1032 C THR 129 60.499 26.817 10.454 1.00 0.00 ATOM 1033 N LEU 130 60.090 25.622 10.868 1.00 0.00 ATOM 1034 CA LEU 130 59.545 24.631 9.978 1.00 0.00 ATOM 1035 CB LEU 130 59.177 23.397 10.786 1.00 0.00 ATOM 1036 CG LEU 130 58.539 22.243 10.024 1.00 0.00 ATOM 1037 CD1 LEU 130 59.610 21.520 9.241 1.00 0.00 ATOM 1038 CD2 LEU 130 57.800 21.310 10.961 1.00 0.00 ATOM 1039 O LEU 130 58.164 24.944 8.027 1.00 0.00 ATOM 1040 C LEU 130 58.324 25.170 9.239 1.00 0.00 ATOM 1041 N ASP 131 57.481 25.896 9.966 1.00 0.00 ATOM 1042 CA ASP 131 56.246 26.422 9.419 1.00 0.00 ATOM 1043 CB ASP 131 55.434 27.078 10.541 1.00 0.00 ATOM 1044 CG ASP 131 53.955 26.802 10.429 1.00 0.00 ATOM 1045 OD1 ASP 131 53.399 26.053 11.271 1.00 0.00 ATOM 1046 OD2 ASP 131 53.340 27.338 9.486 1.00 0.00 ATOM 1047 O ASP 131 55.736 27.520 7.321 1.00 0.00 ATOM 1048 C ASP 131 56.528 27.395 8.256 1.00 0.00 ATOM 1049 N SER 132 57.671 28.060 8.302 1.00 0.00 ATOM 1050 CA SER 132 58.018 29.035 7.269 1.00 0.00 ATOM 1051 CB SER 132 59.179 29.917 7.741 1.00 0.00 ATOM 1052 OG SER 132 60.422 29.267 7.523 1.00 0.00 ATOM 1053 O SER 132 58.493 29.250 4.930 1.00 0.00 ATOM 1054 C SER 132 58.338 28.478 5.860 1.00 0.00 ATOM 1055 N PHE 133 58.466 27.163 5.696 1.00 0.00 ATOM 1056 CA PHE 133 58.746 26.592 4.359 1.00 0.00 ATOM 1057 CB PHE 133 59.733 25.428 4.438 1.00 0.00 ATOM 1058 CG PHE 133 61.113 25.826 4.875 1.00 0.00 ATOM 1059 CD1 PHE 133 62.077 26.190 3.944 1.00 0.00 ATOM 1060 CD2 PHE 133 61.454 25.827 6.225 1.00 0.00 ATOM 1061 CE1 PHE 133 63.376 26.571 4.368 1.00 0.00 ATOM 1062 CE2 PHE 133 62.724 26.197 6.645 1.00 0.00 ATOM 1063 CZ PHE 133 63.694 26.562 5.719 1.00 0.00 ATOM 1064 O PHE 133 57.493 25.831 2.462 1.00 0.00 ATOM 1065 C PHE 133 57.473 26.120 3.656 1.00 0.00 ATOM 1066 N PHE 134 56.369 26.032 4.382 1.00 0.00 ATOM 1067 CA PHE 134 55.173 25.437 3.807 1.00 0.00 ATOM 1068 CB PHE 134 54.834 24.141 4.551 1.00 0.00 ATOM 1069 CG PHE 134 56.009 23.205 4.640 1.00 0.00 ATOM 1070 CD1 PHE 134 56.360 22.404 3.558 1.00 0.00 ATOM 1071 CD2 PHE 134 56.812 23.179 5.765 1.00 0.00 ATOM 1072 CE1 PHE 134 57.461 21.563 3.610 1.00 0.00 ATOM 1073 CE2 PHE 134 57.916 22.326 5.823 1.00 0.00 ATOM 1074 CZ PHE 134 58.235 21.529 4.739 1.00 0.00 ATOM 1075 O PHE 134 53.987 27.347 4.624 1.00 0.00 ATOM 1076 C PHE 134 54.024 26.409 3.813 1.00 0.00 ATOM 1077 N ASP 135 53.099 26.207 2.885 1.00 0.00 ATOM 1078 CA ASP 135 51.867 26.956 2.937 1.00 0.00 ATOM 1079 CB ASP 135 51.076 26.804 1.642 1.00 0.00 ATOM 1080 CG ASP 135 51.780 27.486 0.476 1.00 0.00 ATOM 1081 OD1 ASP 135 51.834 28.736 0.448 1.00 0.00 ATOM 1082 OD2 ASP 135 52.330 26.781 -0.389 1.00 0.00 ATOM 1083 O ASP 135 50.553 27.368 4.891 1.00 0.00 ATOM 1084 C ASP 135 51.113 26.529 4.182 1.00 0.00 ATOM 1085 N LYS 136 51.170 25.237 4.480 1.00 0.00 ATOM 1086 CA LYS 136 50.660 24.702 5.739 1.00 0.00 ATOM 1087 CB LYS 136 49.136 24.548 5.700 1.00 0.00 ATOM 1088 CG LYS 136 48.519 24.307 7.067 1.00 0.00 ATOM 1089 CD LYS 136 47.149 24.955 7.170 1.00 0.00 ATOM 1090 CE LYS 136 46.515 24.713 8.520 1.00 0.00 ATOM 1091 NZ LYS 136 45.053 25.151 8.527 1.00 0.00 ATOM 1092 O LYS 136 51.678 22.540 5.373 1.00 0.00 ATOM 1093 C LYS 136 51.319 23.389 6.187 1.00 0.00 ATOM 1094 N VAL 137 51.445 23.263 7.507 1.00 0.00 ATOM 1095 CA VAL 137 51.917 22.072 8.192 1.00 0.00 ATOM 1096 CB VAL 137 52.935 22.459 9.298 1.00 0.00 ATOM 1097 CG1 VAL 137 53.317 21.256 10.151 1.00 0.00 ATOM 1098 CG2 VAL 137 54.186 23.072 8.644 1.00 0.00 ATOM 1099 O VAL 137 49.908 21.750 9.525 1.00 0.00 ATOM 1100 C VAL 137 50.744 21.253 8.754 1.00 0.00 ATOM 1101 N TYR 138 50.692 19.998 8.322 1.00 0.00 ATOM 1102 CA TYR 138 49.742 19.034 8.803 1.00 0.00 ATOM 1103 CB TYR 138 48.965 18.395 7.626 1.00 0.00 ATOM 1104 CG TYR 138 48.156 19.429 6.833 1.00 0.00 ATOM 1105 CD1 TYR 138 46.927 19.920 7.314 1.00 0.00 ATOM 1106 CD2 TYR 138 48.633 19.933 5.608 1.00 0.00 ATOM 1107 CE1 TYR 138 46.207 20.882 6.594 1.00 0.00 ATOM 1108 CE2 TYR 138 47.908 20.882 4.873 1.00 0.00 ATOM 1109 CZ TYR 138 46.709 21.356 5.361 1.00 0.00 ATOM 1110 OH TYR 138 46.023 22.313 4.621 1.00 0.00 ATOM 1111 O TYR 138 51.184 17.111 9.205 1.00 0.00 ATOM 1112 C TYR 138 50.463 18.014 9.690 1.00 0.00 ATOM 1113 N ALA 139 50.254 18.164 10.997 1.00 0.00 ATOM 1114 CA ALA 139 50.960 17.355 11.999 1.00 0.00 ATOM 1115 CB ALA 139 51.701 18.258 12.989 1.00 0.00 ATOM 1116 O ALA 139 49.070 16.966 13.382 1.00 0.00 ATOM 1117 C ALA 139 49.995 16.467 12.751 1.00 0.00 ATOM 1118 N SER 140 50.239 15.159 12.703 1.00 0.00 ATOM 1119 CA SER 140 49.377 14.168 13.338 1.00 0.00 ATOM 1120 CB SER 140 50.085 12.812 13.379 1.00 0.00 ATOM 1121 OG SER 140 51.199 12.853 14.238 1.00 0.00 ATOM 1122 O SER 140 47.669 14.545 14.991 1.00 0.00 ATOM 1123 C SER 140 48.874 14.560 14.735 1.00 0.00 ATOM 1124 N CYS 141 49.783 14.943 15.624 1.00 0.00 ATOM 1125 CA CYS 141 49.407 15.280 17.007 1.00 0.00 ATOM 1126 CB CYS 141 50.636 15.329 17.945 1.00 0.00 ATOM 1127 SG CYS 141 51.964 16.472 17.433 1.00 0.00 ATOM 1128 O CYS 141 47.891 16.755 18.122 1.00 0.00 ATOM 1129 C CYS 141 48.585 16.562 17.125 1.00 0.00 ATOM 1130 N GLN 142 48.653 17.436 16.124 1.00 0.00 ATOM 1131 CA GLN 142 47.789 18.620 16.149 1.00 0.00 ATOM 1132 CB GLN 142 48.413 19.772 15.349 1.00 0.00 ATOM 1133 CG GLN 142 49.770 20.199 15.886 1.00 0.00 ATOM 1134 CD GLN 142 50.376 21.417 15.183 1.00 0.00 ATOM 1135 OE1 GLN 142 50.496 21.472 13.947 1.00 0.00 ATOM 1136 NE2 GLN 142 50.780 22.398 15.985 1.00 0.00 ATOM 1137 O GLN 142 45.445 19.018 15.892 1.00 0.00 ATOM 1138 C GLN 142 46.381 18.291 15.637 1.00 0.00 ATOM 1139 N MET 143 46.239 17.185 14.914 1.00 0.00 ATOM 1140 CA MET 143 45.022 16.935 14.182 1.00 0.00 ATOM 1141 CB MET 143 45.370 16.561 12.746 1.00 0.00 ATOM 1142 CG MET 143 46.056 17.670 11.974 1.00 0.00 ATOM 1143 SD MET 143 46.827 17.032 10.292 1.00 0.00 ATOM 1144 CE MET 143 45.213 17.167 9.174 1.00 0.00 ATOM 1145 O MET 143 42.974 15.735 14.532 1.00 0.00 ATOM 1146 C MET 143 44.154 15.863 14.840 1.00 0.00 ATOM 1147 N GLY 144 44.748 15.117 15.765 1.00 0.00 ATOM 1148 CA GLY 144 44.118 13.937 16.314 1.00 0.00 ATOM 1149 O GLY 144 43.044 12.013 15.401 1.00 0.00 ATOM 1150 C GLY 144 43.961 12.818 15.283 1.00 0.00 ATOM 1151 N LYS 145 44.833 12.768 14.268 1.00 0.00 ATOM 1152 CA LYS 145 44.770 11.711 13.250 1.00 0.00 ATOM 1153 CB LYS 145 43.977 12.133 11.997 1.00 0.00 ATOM 1154 CG LYS 145 42.615 12.769 12.214 1.00 0.00 ATOM 1155 CD LYS 145 42.053 13.265 10.905 1.00 0.00 ATOM 1156 CE LYS 145 40.527 13.368 10.960 1.00 0.00 ATOM 1157 NZ LYS 145 39.998 14.672 11.431 1.00 0.00 ATOM 1158 O LYS 145 47.134 12.112 13.141 1.00 0.00 ATOM 1159 C LYS 145 46.199 11.363 12.840 1.00 0.00 ATOM 1160 N TYR 146 46.377 10.240 12.152 1.00 0.00 ATOM 1161 CA TYR 146 47.724 9.768 11.846 1.00 0.00 ATOM 1162 CB TYR 146 48.340 8.941 13.010 1.00 0.00 ATOM 1163 CG TYR 146 47.484 7.771 13.477 1.00 0.00 ATOM 1164 CD1 TYR 146 46.410 7.972 14.384 1.00 0.00 ATOM 1165 CD2 TYR 146 47.725 6.469 13.022 1.00 0.00 ATOM 1166 CE1 TYR 146 45.603 6.910 14.815 1.00 0.00 ATOM 1167 CE2 TYR 146 46.900 5.393 13.445 1.00 0.00 ATOM 1168 CZ TYR 146 45.854 5.631 14.343 1.00 0.00 ATOM 1169 OH TYR 146 45.048 4.582 14.775 1.00 0.00 ATOM 1170 O TYR 146 46.759 8.262 10.315 1.00 0.00 ATOM 1171 C TYR 146 47.703 8.970 10.588 1.00 0.00 ATOM 1172 N LYS 147 48.765 9.097 9.820 1.00 0.00 ATOM 1173 CA LYS 147 49.016 8.217 8.694 1.00 0.00 ATOM 1174 CB LYS 147 50.242 8.692 7.940 1.00 0.00 ATOM 1175 CG LYS 147 50.089 10.060 7.344 1.00 0.00 ATOM 1176 CD LYS 147 51.343 10.479 6.546 1.00 0.00 ATOM 1177 CE LYS 147 52.459 10.849 7.491 1.00 0.00 ATOM 1178 NZ LYS 147 53.697 11.151 6.751 1.00 0.00 ATOM 1179 O LYS 147 49.827 6.683 10.332 1.00 0.00 ATOM 1180 C LYS 147 49.269 6.815 9.253 1.00 0.00 ATOM 1181 N PRO 148 48.899 5.776 8.498 1.00 0.00 ATOM 1182 CA PRO 148 48.382 5.842 7.121 1.00 0.00 ATOM 1183 CB PRO 148 48.939 4.548 6.492 1.00 0.00 ATOM 1184 CG PRO 148 49.033 3.564 7.674 1.00 0.00 ATOM 1185 CD PRO 148 49.026 4.385 8.964 1.00 0.00 ATOM 1186 O PRO 148 46.366 5.577 5.869 1.00 0.00 ATOM 1187 C PRO 148 46.859 5.906 6.935 1.00 0.00 ATOM 1188 N ASN 149 46.112 6.324 7.946 1.00 0.00 ATOM 1189 CA ASN 149 44.663 6.421 7.790 1.00 0.00 ATOM 1190 CB ASN 149 43.994 6.794 9.101 1.00 0.00 ATOM 1191 CG ASN 149 44.192 5.753 10.172 1.00 0.00 ATOM 1192 ND2 ASN 149 44.427 6.192 11.417 1.00 0.00 ATOM 1193 OD1 ASN 149 44.133 4.567 9.889 1.00 0.00 ATOM 1194 O ASN 149 45.064 8.477 6.633 1.00 0.00 ATOM 1195 C ASN 149 44.345 7.473 6.750 1.00 0.00 ATOM 1196 N GLU 150 43.272 7.232 6.005 1.00 0.00 ATOM 1197 CA GLU 150 42.765 8.176 5.009 1.00 0.00 ATOM 1198 CB GLU 150 41.675 7.523 4.128 1.00 0.00 ATOM 1199 CG GLU 150 42.246 6.480 3.202 1.00 0.00 ATOM 1200 CD GLU 150 41.240 5.778 2.337 1.00 0.00 ATOM 1201 OE1 GLU 150 40.047 6.172 2.299 1.00 0.00 ATOM 1202 OE2 GLU 150 41.655 4.813 1.654 1.00 0.00 ATOM 1203 O GLU 150 42.391 10.527 5.023 1.00 0.00 ATOM 1204 C GLU 150 42.249 9.469 5.628 1.00 0.00 ATOM 1205 N ASP 151 41.689 9.409 6.836 1.00 0.00 ATOM 1206 CA ASP 151 41.154 10.632 7.436 1.00 0.00 ATOM 1207 CB ASP 151 40.399 10.434 8.771 1.00 0.00 ATOM 1208 CG ASP 151 41.233 9.795 9.894 1.00 0.00 ATOM 1209 OD1 ASP 151 40.563 9.279 10.830 1.00 0.00 ATOM 1210 OD2 ASP 151 42.490 9.800 9.889 1.00 0.00 ATOM 1211 O ASP 151 41.758 12.927 7.183 1.00 0.00 ATOM 1212 C ASP 151 42.145 11.799 7.461 1.00 0.00 ATOM 1213 N ILE 152 43.419 11.530 7.721 1.00 0.00 ATOM 1214 CA ILE 152 44.391 12.624 7.807 1.00 0.00 ATOM 1215 CB ILE 152 45.707 12.235 8.575 1.00 0.00 ATOM 1216 CG1 ILE 152 46.419 13.523 9.072 1.00 0.00 ATOM 1217 CG2 ILE 152 46.615 11.259 7.717 1.00 0.00 ATOM 1218 CD1 ILE 152 47.757 13.342 9.851 1.00 0.00 ATOM 1219 O ILE 152 44.737 14.442 6.247 1.00 0.00 ATOM 1220 C ILE 152 44.663 13.222 6.400 1.00 0.00 ATOM 1221 N PHE 153 44.776 12.370 5.385 1.00 0.00 ATOM 1222 CA PHE 153 44.805 12.832 3.993 1.00 0.00 ATOM 1223 CB PHE 153 44.954 11.657 3.038 1.00 0.00 ATOM 1224 CG PHE 153 46.315 10.978 3.120 1.00 0.00 ATOM 1225 CD1 PHE 153 47.335 11.327 2.240 1.00 0.00 ATOM 1226 CD2 PHE 153 46.564 10.004 4.082 1.00 0.00 ATOM 1227 CE1 PHE 153 48.599 10.703 2.302 1.00 0.00 ATOM 1228 CE2 PHE 153 47.835 9.357 4.172 1.00 0.00 ATOM 1229 CZ PHE 153 48.854 9.708 3.284 1.00 0.00 ATOM 1230 O PHE 153 43.713 14.702 2.921 1.00 0.00 ATOM 1231 C PHE 153 43.579 13.666 3.608 1.00 0.00 ATOM 1232 N LEU 154 42.397 13.218 4.039 1.00 0.00 ATOM 1233 CA LEU 154 41.169 13.886 3.657 1.00 0.00 ATOM 1234 CB LEU 154 39.945 12.975 3.884 1.00 0.00 ATOM 1235 CG LEU 154 39.915 11.625 3.126 1.00 0.00 ATOM 1236 CD1 LEU 154 38.634 10.889 3.431 1.00 0.00 ATOM 1237 CD2 LEU 154 39.988 11.797 1.648 1.00 0.00 ATOM 1238 O LEU 154 40.542 16.217 3.674 1.00 0.00 ATOM 1239 C LEU 154 41.003 15.272 4.320 1.00 0.00 ATOM 1240 N GLU 155 41.388 15.387 5.593 1.00 0.00 ATOM 1241 CA GLU 155 41.398 16.674 6.268 1.00 0.00 ATOM 1242 CB GLU 155 41.819 16.527 7.734 1.00 0.00 ATOM 1243 CG GLU 155 41.588 17.811 8.544 1.00 0.00 ATOM 1244 CD GLU 155 41.886 17.680 10.044 1.00 0.00 ATOM 1245 OE1 GLU 155 41.687 16.577 10.583 1.00 0.00 ATOM 1246 OE2 GLU 155 42.289 18.678 10.698 1.00 0.00 ATOM 1247 O GLU 155 41.881 18.782 5.197 1.00 0.00 ATOM 1248 C GLU 155 42.305 17.660 5.505 1.00 0.00 ATOM 1249 N MET 156 43.520 17.205 5.172 1.00 0.00 ATOM 1250 CA MET 156 44.489 17.953 4.371 1.00 0.00 ATOM 1251 CB MET 156 45.757 17.119 4.131 1.00 0.00 ATOM 1252 CG MET 156 46.714 17.795 3.157 1.00 0.00 ATOM 1253 SD MET 156 48.449 16.913 2.984 1.00 0.00 ATOM 1254 CE MET 156 47.842 15.359 1.926 1.00 0.00 ATOM 1255 O MET 156 44.034 19.649 2.718 1.00 0.00 ATOM 1256 C MET 156 43.936 18.459 3.029 1.00 0.00 ATOM 1257 N ILE 157 43.373 17.547 2.243 1.00 0.00 ATOM 1258 CA ILE 157 42.652 17.883 0.995 1.00 0.00 ATOM 1259 CB ILE 157 42.087 16.594 0.342 1.00 0.00 ATOM 1260 CG1 ILE 157 43.242 15.636 -0.051 1.00 0.00 ATOM 1261 CG2 ILE 157 41.155 16.886 -0.842 1.00 0.00 ATOM 1262 CD1 ILE 157 42.741 14.197 -0.367 1.00 0.00 ATOM 1263 O ILE 157 41.585 19.956 0.476 1.00 0.00 ATOM 1264 C ILE 157 41.578 18.943 1.184 1.00 0.00 ATOM 1265 N ALA 158 40.647 18.719 2.121 1.00 0.00 ATOM 1266 CA ALA 158 39.605 19.699 2.429 1.00 0.00 ATOM 1267 CB ALA 158 38.684 19.176 3.515 1.00 0.00 ATOM 1268 O ALA 158 39.748 22.109 2.332 1.00 0.00 ATOM 1269 C ALA 158 40.189 21.069 2.830 1.00 0.00 ATOM 1270 N ASP 159 41.197 21.063 3.708 1.00 0.00 ATOM 1271 CA ASP 159 41.727 22.313 4.239 1.00 0.00 ATOM 1272 CB ASP 159 42.547 22.075 5.516 1.00 0.00 ATOM 1273 CG ASP 159 43.117 23.383 6.107 1.00 0.00 ATOM 1274 OD1 ASP 159 42.343 24.173 6.686 1.00 0.00 ATOM 1275 OD2 ASP 159 44.336 23.631 5.982 1.00 0.00 ATOM 1276 O ASP 159 42.447 24.331 3.157 1.00 0.00 ATOM 1277 C ASP 159 42.547 23.103 3.213 1.00 0.00 ATOM 1278 N SER 160 43.333 22.398 2.401 1.00 0.00 ATOM 1279 CA SER 160 44.225 23.035 1.423 1.00 0.00 ATOM 1280 CB SER 160 45.476 22.170 1.202 1.00 0.00 ATOM 1281 OG SER 160 45.088 20.981 0.518 1.00 0.00 ATOM 1282 O SER 160 44.021 24.154 -0.678 1.00 0.00 ATOM 1283 C SER 160 43.585 23.271 0.066 1.00 0.00 ATOM 1284 N GLY 161 42.596 22.451 -0.272 1.00 0.00 ATOM 1285 CA GLY 161 42.003 22.443 -1.609 1.00 0.00 ATOM 1286 O GLY 161 42.626 22.044 -3.880 1.00 0.00 ATOM 1287 C GLY 161 42.861 21.818 -2.702 1.00 0.00 ATOM 1288 N MET 162 43.856 21.032 -2.318 1.00 0.00 ATOM 1289 CA MET 162 44.693 20.333 -3.286 1.00 0.00 ATOM 1290 CB MET 162 45.964 19.808 -2.615 1.00 0.00 ATOM 1291 CG MET 162 45.721 18.699 -1.597 1.00 0.00 ATOM 1292 SD MET 162 47.370 18.087 -0.743 1.00 0.00 ATOM 1293 CE MET 162 47.996 19.701 0.150 1.00 0.00 ATOM 1294 O MET 162 43.247 18.396 -3.318 1.00 0.00 ATOM 1295 C MET 162 43.940 19.192 -3.969 1.00 0.00 ATOM 1296 N LYS 163 44.051 19.144 -5.292 1.00 0.00 ATOM 1297 CA LYS 163 43.624 17.980 -6.072 1.00 0.00 ATOM 1298 CB LYS 163 43.337 18.390 -7.517 1.00 0.00 ATOM 1299 CG LYS 163 42.266 19.456 -7.632 1.00 0.00 ATOM 1300 CD LYS 163 41.831 19.688 -9.057 1.00 0.00 ATOM 1301 CE LYS 163 41.134 21.027 -9.184 1.00 0.00 ATOM 1302 NZ LYS 163 40.585 21.252 -10.559 1.00 0.00 ATOM 1303 O LYS 163 45.897 17.206 -6.324 1.00 0.00 ATOM 1304 C LYS 163 44.730 16.916 -6.006 1.00 0.00 ATOM 1305 N PRO 164 44.391 15.700 -5.539 1.00 0.00 ATOM 1306 CA PRO 164 45.400 14.617 -5.479 1.00 0.00 ATOM 1307 CB PRO 164 44.587 13.392 -5.038 1.00 0.00 ATOM 1308 CG PRO 164 43.418 13.977 -4.299 1.00 0.00 ATOM 1309 CD PRO 164 43.082 15.265 -5.006 1.00 0.00 ATOM 1310 O PRO 164 47.354 14.142 -6.797 1.00 0.00 ATOM 1311 C PRO 164 46.143 14.368 -6.799 1.00 0.00 ATOM 1312 N GLU 165 45.443 14.429 -7.933 1.00 0.00 ATOM 1313 CA GLU 165 46.125 14.179 -9.190 1.00 0.00 ATOM 1314 CB GLU 165 45.158 13.787 -10.296 1.00 0.00 ATOM 1315 CG GLU 165 44.327 14.931 -10.847 1.00 0.00 ATOM 1316 CD GLU 165 42.992 15.096 -10.125 1.00 0.00 ATOM 1317 OE1 GLU 165 42.030 15.530 -10.823 1.00 0.00 ATOM 1318 OE2 GLU 165 42.921 14.774 -8.884 1.00 0.00 ATOM 1319 O GLU 165 47.755 15.217 -10.612 1.00 0.00 ATOM 1320 C GLU 165 47.043 15.325 -9.620 1.00 0.00 ATOM 1321 N GLU 166 47.037 16.416 -8.871 1.00 0.00 ATOM 1322 CA GLU 166 47.941 17.520 -9.157 1.00 0.00 ATOM 1323 CB GLU 166 47.163 18.823 -9.259 1.00 0.00 ATOM 1324 CG GLU 166 46.150 18.856 -10.396 1.00 0.00 ATOM 1325 CD GLU 166 45.562 20.241 -10.591 1.00 0.00 ATOM 1326 OE1 GLU 166 45.656 21.068 -9.653 1.00 0.00 ATOM 1327 OE2 GLU 166 45.018 20.511 -11.687 1.00 0.00 ATOM 1328 O GLU 166 49.751 18.610 -8.030 1.00 0.00 ATOM 1329 C GLU 166 49.006 17.639 -8.076 1.00 0.00 ATOM 1330 N THR 167 49.072 16.644 -7.207 1.00 0.00 ATOM 1331 CA THR 167 49.916 16.725 -6.025 1.00 0.00 ATOM 1332 CB THR 167 49.057 16.666 -4.726 1.00 0.00 ATOM 1333 CG2 THR 167 49.899 16.946 -3.522 1.00 0.00 ATOM 1334 OG1 THR 167 48.001 17.643 -4.813 1.00 0.00 ATOM 1335 O THR 167 50.637 14.468 -6.270 1.00 0.00 ATOM 1336 C THR 167 50.961 15.621 -6.013 1.00 0.00 ATOM 1337 N LEU 168 52.211 15.983 -5.712 1.00 0.00 ATOM 1338 CA LEU 168 53.275 14.997 -5.515 1.00 0.00 ATOM 1339 CB LEU 168 54.551 15.448 -6.230 1.00 0.00 ATOM 1340 CG LEU 168 55.818 14.622 -6.056 1.00 0.00 ATOM 1341 CD1 LEU 168 55.623 13.199 -6.594 1.00 0.00 ATOM 1342 CD2 LEU 168 56.985 15.328 -6.762 1.00 0.00 ATOM 1343 O LEU 168 53.741 15.723 -3.292 1.00 0.00 ATOM 1344 C LEU 168 53.507 14.771 -4.021 1.00 0.00 ATOM 1345 N PHE 169 53.405 13.520 -3.566 1.00 0.00 ATOM 1346 CA PHE 169 53.524 13.159 -2.129 1.00 0.00 ATOM 1347 CB PHE 169 52.315 12.309 -1.691 1.00 0.00 ATOM 1348 CG PHE 169 52.384 11.794 -0.240 1.00 0.00 ATOM 1349 CD1 PHE 169 52.192 12.660 0.842 1.00 0.00 ATOM 1350 CD2 PHE 169 52.607 10.438 0.028 1.00 0.00 ATOM 1351 CE1 PHE 169 52.236 12.185 2.195 1.00 0.00 ATOM 1352 CE2 PHE 169 52.647 9.949 1.342 1.00 0.00 ATOM 1353 CZ PHE 169 52.463 10.824 2.440 1.00 0.00 ATOM 1354 O PHE 169 55.074 11.380 -2.521 1.00 0.00 ATOM 1355 C PHE 169 54.825 12.417 -1.895 1.00 0.00 ATOM 1356 N ILE 170 55.693 12.971 -1.040 1.00 0.00 ATOM 1357 CA ILE 170 57.055 12.428 -0.847 1.00 0.00 ATOM 1358 CB ILE 170 58.149 13.464 -1.210 1.00 0.00 ATOM 1359 CG1 ILE 170 57.925 14.016 -2.627 1.00 0.00 ATOM 1360 CG2 ILE 170 59.590 12.865 -1.047 1.00 0.00 ATOM 1361 CD1 ILE 170 58.719 15.308 -2.961 1.00 0.00 ATOM 1362 O ILE 170 57.202 12.681 1.542 1.00 0.00 ATOM 1363 C ILE 170 57.168 11.905 0.570 1.00 0.00 ATOM 1364 N ASP 171 57.175 10.578 0.701 1.00 0.00 ATOM 1365 CA ASP 171 57.148 9.928 2.027 1.00 0.00 ATOM 1366 CB ASP 171 55.708 9.676 2.487 1.00 0.00 ATOM 1367 CG ASP 171 55.572 9.410 4.004 1.00 0.00 ATOM 1368 OD1 ASP 171 56.396 8.686 4.590 1.00 0.00 ATOM 1369 OD2 ASP 171 54.600 9.904 4.635 1.00 0.00 ATOM 1370 O ASP 171 57.802 7.915 0.964 1.00 0.00 ATOM 1371 C ASP 171 57.928 8.623 1.938 1.00 0.00 ATOM 1372 N ASP 172 58.721 8.326 2.962 1.00 0.00 ATOM 1373 CA ASP 172 59.577 7.148 3.008 1.00 0.00 ATOM 1374 CB ASP 172 60.844 7.441 3.862 1.00 0.00 ATOM 1375 CG ASP 172 60.501 7.853 5.331 1.00 0.00 ATOM 1376 OD1 ASP 172 59.590 8.714 5.566 1.00 0.00 ATOM 1377 OD2 ASP 172 61.165 7.311 6.249 1.00 0.00 ATOM 1378 O ASP 172 59.362 4.851 3.640 1.00 0.00 ATOM 1379 C ASP 172 58.832 5.963 3.598 1.00 0.00 ATOM 1380 N GLY 173 57.619 6.222 4.079 1.00 0.00 ATOM 1381 CA GLY 173 56.748 5.204 4.654 1.00 0.00 ATOM 1382 O GLY 173 54.964 5.070 3.067 1.00 0.00 ATOM 1383 C GLY 173 55.919 4.492 3.617 1.00 0.00 ATOM 1384 N PRO 174 56.250 3.216 3.353 1.00 0.00 ATOM 1385 CA PRO 174 55.495 2.408 2.399 1.00 0.00 ATOM 1386 CB PRO 174 56.069 1.004 2.610 1.00 0.00 ATOM 1387 CG PRO 174 57.550 1.290 2.983 1.00 0.00 ATOM 1388 CD PRO 174 57.421 2.477 3.912 1.00 0.00 ATOM 1389 O PRO 174 53.251 2.583 1.603 1.00 0.00 ATOM 1390 C PRO 174 53.975 2.452 2.590 1.00 0.00 ATOM 1391 N ALA 175 53.487 2.323 3.832 1.00 0.00 ATOM 1392 CA ALA 175 52.028 2.359 4.101 1.00 0.00 ATOM 1393 CB ALA 175 51.710 1.911 5.553 1.00 0.00 ATOM 1394 O ALA 175 50.344 3.843 3.338 1.00 0.00 ATOM 1395 C ALA 175 51.438 3.733 3.820 1.00 0.00 ATOM 1396 N ASN 176 52.185 4.785 4.121 1.00 0.00 ATOM 1397 CA ASN 176 51.780 6.163 3.817 1.00 0.00 ATOM 1398 CB ASN 176 52.801 7.143 4.435 1.00 0.00 ATOM 1399 CG ASN 176 52.861 7.064 5.979 1.00 0.00 ATOM 1400 ND2 ASN 176 53.886 7.700 6.566 1.00 0.00 ATOM 1401 OD1 ASN 176 51.999 6.467 6.629 1.00 0.00 ATOM 1402 O ASN 176 50.636 6.939 1.830 1.00 0.00 ATOM 1403 C ASN 176 51.647 6.394 2.296 1.00 0.00 ATOM 1404 N VAL 177 52.675 5.980 1.547 1.00 0.00 ATOM 1405 CA VAL 177 52.646 5.965 0.079 1.00 0.00 ATOM 1406 CB VAL 177 54.007 5.446 -0.491 1.00 0.00 ATOM 1407 CG1 VAL 177 53.904 5.097 -1.951 1.00 0.00 ATOM 1408 CG2 VAL 177 55.082 6.459 -0.254 1.00 0.00 ATOM 1409 O VAL 177 50.769 5.671 -1.410 1.00 0.00 ATOM 1410 C VAL 177 51.481 5.178 -0.516 1.00 0.00 ATOM 1411 N ALA 178 51.276 3.953 -0.041 1.00 0.00 ATOM 1412 CA ALA 178 50.125 3.141 -0.483 1.00 0.00 ATOM 1413 CB ALA 178 50.108 1.790 0.240 1.00 0.00 ATOM 1414 O ALA 178 47.917 3.827 -1.159 1.00 0.00 ATOM 1415 C ALA 178 48.779 3.878 -0.294 1.00 0.00 ATOM 1416 N THR 179 48.610 4.581 0.821 1.00 0.00 ATOM 1417 CA THR 179 47.367 5.330 1.045 1.00 0.00 ATOM 1418 CB THR 179 47.220 5.793 2.530 1.00 0.00 ATOM 1419 CG2 THR 179 45.995 6.662 2.731 1.00 0.00 ATOM 1420 OG1 THR 179 47.116 4.645 3.375 1.00 0.00 ATOM 1421 O THR 179 46.156 6.799 -0.402 1.00 0.00 ATOM 1422 C THR 179 47.251 6.516 0.096 1.00 0.00 ATOM 1423 N ALA 180 48.361 7.210 -0.156 1.00 0.00 ATOM 1424 CA ALA 180 48.323 8.347 -1.097 1.00 0.00 ATOM 1425 CB ALA 180 49.572 9.176 -1.021 1.00 0.00 ATOM 1426 O ALA 180 47.279 8.575 -3.267 1.00 0.00 ATOM 1427 C ALA 180 48.037 7.903 -2.541 1.00 0.00 ATOM 1428 N GLU 181 48.606 6.765 -2.940 1.00 0.00 ATOM 1429 CA GLU 181 48.255 6.137 -4.231 1.00 0.00 ATOM 1430 CB GLU 181 49.038 4.835 -4.444 1.00 0.00 ATOM 1431 CG GLU 181 50.513 5.068 -4.834 1.00 0.00 ATOM 1432 CD GLU 181 50.700 5.654 -6.254 1.00 0.00 ATOM 1433 OE1 GLU 181 49.747 5.599 -7.106 1.00 0.00 ATOM 1434 OE2 GLU 181 51.824 6.157 -6.520 1.00 0.00 ATOM 1435 O GLU 181 46.164 6.143 -5.377 1.00 0.00 ATOM 1436 C GLU 181 46.765 5.848 -4.361 1.00 0.00 ATOM 1437 N ARG 182 46.196 5.277 -3.306 1.00 0.00 ATOM 1438 CA ARG 182 44.800 4.866 -3.243 1.00 0.00 ATOM 1439 CB ARG 182 44.584 4.297 -1.847 1.00 0.00 ATOM 1440 CG ARG 182 43.962 2.941 -1.715 1.00 0.00 ATOM 1441 CD ARG 182 44.196 2.498 -0.266 1.00 0.00 ATOM 1442 NE ARG 182 45.103 1.350 -0.107 1.00 0.00 ATOM 1443 CZ ARG 182 46.011 1.218 0.867 1.00 0.00 ATOM 1444 NH1 ARG 182 46.774 0.124 0.916 1.00 0.00 ATOM 1445 NH2 ARG 182 46.206 2.172 1.771 1.00 0.00 ATOM 1446 O ARG 182 42.861 6.021 -4.118 1.00 0.00 ATOM 1447 C ARG 182 43.886 6.094 -3.448 1.00 0.00 ATOM 1448 N LEU 183 44.303 7.225 -2.879 1.00 0.00 ATOM 1449 CA LEU 183 43.591 8.476 -2.966 1.00 0.00 ATOM 1450 CB LEU 183 43.900 9.311 -1.699 1.00 0.00 ATOM 1451 CG LEU 183 43.298 8.661 -0.443 1.00 0.00 ATOM 1452 CD1 LEU 183 43.749 9.407 0.793 1.00 0.00 ATOM 1453 CD2 LEU 183 41.742 8.532 -0.526 1.00 0.00 ATOM 1454 O LEU 183 43.213 10.341 -4.430 1.00 0.00 ATOM 1455 C LEU 183 43.839 9.291 -4.245 1.00 0.00 ATOM 1456 N GLY 184 44.764 8.838 -5.096 1.00 0.00 ATOM 1457 CA GLY 184 44.994 9.469 -6.386 1.00 0.00 ATOM 1458 O GLY 184 46.394 11.044 -7.507 1.00 0.00 ATOM 1459 C GLY 184 46.202 10.395 -6.470 1.00 0.00 ATOM 1460 N PHE 185 47.021 10.452 -5.408 1.00 0.00 ATOM 1461 CA PHE 185 48.292 11.203 -5.437 1.00 0.00 ATOM 1462 CB PHE 185 48.899 11.369 -4.032 1.00 0.00 ATOM 1463 CG PHE 185 48.057 12.190 -3.097 1.00 0.00 ATOM 1464 CD1 PHE 185 48.325 13.542 -2.906 1.00 0.00 ATOM 1465 CD2 PHE 185 46.997 11.610 -2.387 1.00 0.00 ATOM 1466 CE1 PHE 185 47.561 14.302 -2.045 1.00 0.00 ATOM 1467 CE2 PHE 185 46.223 12.361 -1.518 1.00 0.00 ATOM 1468 CZ PHE 185 46.485 13.714 -1.346 1.00 0.00 ATOM 1469 O PHE 185 49.391 9.377 -6.546 1.00 0.00 ATOM 1470 C PHE 185 49.357 10.592 -6.352 1.00 0.00 ATOM 1471 N HIS 186 50.196 11.464 -6.923 1.00 0.00 ATOM 1472 CA HIS 186 51.545 11.099 -7.378 1.00 0.00 ATOM 1473 CB HIS 186 52.146 12.180 -8.271 1.00 0.00 ATOM 1474 CG HIS 186 51.330 12.420 -9.496 1.00 0.00 ATOM 1475 CD2 HIS 186 50.337 13.306 -9.748 1.00 0.00 ATOM 1476 ND1 HIS 186 51.422 11.615 -10.613 1.00 0.00 ATOM 1477 CE1 HIS 186 50.541 12.017 -11.515 1.00 0.00 ATOM 1478 NE2 HIS 186 49.875 13.046 -11.019 1.00 0.00 ATOM 1479 O HIS 186 52.274 11.647 -5.186 1.00 0.00 ATOM 1480 C HIS 186 52.391 10.888 -6.145 1.00 0.00 ATOM 1481 N THR 187 53.185 9.822 -6.144 1.00 0.00 ATOM 1482 CA THR 187 54.001 9.532 -4.974 1.00 0.00 ATOM 1483 CB THR 187 53.524 8.282 -4.150 1.00 0.00 ATOM 1484 CG2 THR 187 52.104 8.461 -3.574 1.00 0.00 ATOM 1485 OG1 THR 187 53.583 7.106 -4.964 1.00 0.00 ATOM 1486 O THR 187 55.782 9.055 -6.515 1.00 0.00 ATOM 1487 C THR 187 55.456 9.361 -5.358 1.00 0.00 ATOM 1488 N TYR 188 56.324 9.610 -4.387 1.00 0.00 ATOM 1489 CA TYR 188 57.729 9.204 -4.482 1.00 0.00 ATOM 1490 CB TYR 188 58.621 10.336 -4.986 1.00 0.00 ATOM 1491 CG TYR 188 60.045 9.871 -5.169 1.00 0.00 ATOM 1492 CD1 TYR 188 60.443 9.241 -6.349 1.00 0.00 ATOM 1493 CD2 TYR 188 60.994 10.036 -4.150 1.00 0.00 ATOM 1494 CE1 TYR 188 61.734 8.793 -6.512 1.00 0.00 ATOM 1495 CE2 TYR 188 62.282 9.592 -4.296 1.00 0.00 ATOM 1496 CZ TYR 188 62.654 8.971 -5.479 1.00 0.00 ATOM 1497 OH TYR 188 63.950 8.529 -5.645 1.00 0.00 ATOM 1498 O TYR 188 57.853 9.336 -2.114 1.00 0.00 ATOM 1499 C TYR 188 58.174 8.712 -3.102 1.00 0.00 ATOM 1500 N CYS 189 58.859 7.569 -3.050 1.00 0.00 ATOM 1501 CA CYS 189 59.241 6.932 -1.782 1.00 0.00 ATOM 1502 CB CYS 189 58.680 5.509 -1.652 1.00 0.00 ATOM 1503 SG CYS 189 58.750 4.834 0.058 1.00 0.00 ATOM 1504 O CYS 189 61.421 5.980 -2.101 1.00 0.00 ATOM 1505 C CYS 189 60.760 6.914 -1.651 1.00 0.00 ATOM 1506 N PRO 190 61.318 7.961 -1.031 1.00 0.00 ATOM 1507 CA PRO 190 62.761 7.984 -0.830 1.00 0.00 ATOM 1508 CB PRO 190 63.042 9.442 -0.437 1.00 0.00 ATOM 1509 CG PRO 190 61.751 9.922 0.199 1.00 0.00 ATOM 1510 CD PRO 190 60.632 9.138 -0.452 1.00 0.00 ATOM 1511 O PRO 190 62.287 6.684 1.133 1.00 0.00 ATOM 1512 C PRO 190 63.140 7.057 0.316 1.00 0.00 ATOM 1513 N ASP 191 64.398 6.663 0.357 1.00 0.00 ATOM 1514 CA ASP 191 64.972 6.094 1.571 1.00 0.00 ATOM 1515 CB ASP 191 66.272 5.314 1.266 1.00 0.00 ATOM 1516 CG ASP 191 66.006 3.989 0.552 1.00 0.00 ATOM 1517 OD1 ASP 191 64.921 3.374 0.770 1.00 0.00 ATOM 1518 OD2 ASP 191 66.893 3.559 -0.225 1.00 0.00 ATOM 1519 O ASP 191 65.560 8.328 2.313 1.00 0.00 ATOM 1520 C ASP 191 65.262 7.170 2.630 1.00 0.00 ATOM 1521 N ASN 192 65.170 6.761 3.889 1.00 0.00 ATOM 1522 CA ASN 192 65.736 7.514 4.979 1.00 0.00 ATOM 1523 CB ASN 192 65.582 6.721 6.283 1.00 0.00 ATOM 1524 CG ASN 192 66.202 7.435 7.461 1.00 0.00 ATOM 1525 ND2 ASN 192 67.012 6.723 8.253 1.00 0.00 ATOM 1526 OD1 ASN 192 65.988 8.626 7.633 1.00 0.00 ATOM 1527 O ASN 192 68.058 6.899 4.591 1.00 0.00 ATOM 1528 C ASN 192 67.224 7.822 4.661 1.00 0.00 ATOM 1529 N GLY 193 67.525 9.109 4.434 1.00 0.00 ATOM 1530 CA GLY 193 68.878 9.574 4.140 1.00 0.00 ATOM 1531 O GLY 193 70.392 10.125 2.349 1.00 0.00 ATOM 1532 C GLY 193 69.263 9.727 2.666 1.00 0.00 ATOM 1533 N GLU 194 68.340 9.428 1.754 1.00 0.00 ATOM 1534 CA GLU 194 68.621 9.558 0.320 1.00 0.00 ATOM 1535 CB GLU 194 67.532 8.822 -0.455 1.00 0.00 ATOM 1536 CG GLU 194 67.815 8.605 -1.947 1.00 0.00 ATOM 1537 CD GLU 194 66.591 8.022 -2.665 1.00 0.00 ATOM 1538 OE1 GLU 194 66.364 8.356 -3.861 1.00 0.00 ATOM 1539 OE2 GLU 194 65.836 7.250 -2.022 1.00 0.00 ATOM 1540 O GLU 194 67.808 11.820 0.327 1.00 0.00 ATOM 1541 C GLU 194 68.654 11.039 -0.114 1.00 0.00 ATOM 1542 N ASN 195 69.594 11.424 -0.980 1.00 0.00 ATOM 1543 CA ASN 195 69.486 12.732 -1.641 1.00 0.00 ATOM 1544 CB ASN 195 70.812 13.340 -2.133 1.00 0.00 ATOM 1545 CG ASN 195 70.586 14.752 -2.750 1.00 0.00 ATOM 1546 ND2 ASN 195 71.503 15.209 -3.609 1.00 0.00 ATOM 1547 OD1 ASN 195 69.566 15.409 -2.444 1.00 0.00 ATOM 1548 O ASN 195 68.960 12.302 -3.925 1.00 0.00 ATOM 1549 C ASN 195 68.552 12.682 -2.822 1.00 0.00 ATOM 1550 N TRP 196 67.320 13.112 -2.604 1.00 0.00 ATOM 1551 CA TRP 196 66.287 12.974 -3.622 1.00 0.00 ATOM 1552 CB TRP 196 64.953 12.587 -2.988 1.00 0.00 ATOM 1553 CG TRP 196 64.575 13.379 -1.747 1.00 0.00 ATOM 1554 CD1 TRP 196 64.535 12.899 -0.468 1.00 0.00 ATOM 1555 CD2 TRP 196 64.177 14.757 -1.674 1.00 0.00 ATOM 1556 CE2 TRP 196 63.901 15.035 -0.310 1.00 0.00 ATOM 1557 CE3 TRP 196 64.035 15.786 -2.615 1.00 0.00 ATOM 1558 NE1 TRP 196 64.146 13.885 0.399 1.00 0.00 ATOM 1559 CZ2 TRP 196 63.486 16.321 0.138 1.00 0.00 ATOM 1560 CZ3 TRP 196 63.630 17.051 -2.182 1.00 0.00 ATOM 1561 CH2 TRP 196 63.371 17.312 -0.810 1.00 0.00 ATOM 1562 O TRP 196 65.205 14.231 -5.316 1.00 0.00 ATOM 1563 C TRP 196 66.092 14.216 -4.476 1.00 0.00 ATOM 1564 N ILE 197 66.881 15.260 -4.230 1.00 0.00 ATOM 1565 CA ILE 197 66.729 16.506 -4.957 1.00 0.00 ATOM 1566 CB ILE 197 67.727 17.609 -4.518 1.00 0.00 ATOM 1567 CG1 ILE 197 67.387 18.093 -3.105 1.00 0.00 ATOM 1568 CG2 ILE 197 67.704 18.776 -5.496 1.00 0.00 ATOM 1569 CD1 ILE 197 68.532 18.871 -2.444 1.00 0.00 ATOM 1570 O ILE 197 65.844 16.686 -7.148 1.00 0.00 ATOM 1571 C ILE 197 66.776 16.275 -6.464 1.00 0.00 ATOM 1572 N PRO 198 67.847 15.623 -6.993 1.00 0.00 ATOM 1573 CA PRO 198 67.841 15.392 -8.459 1.00 0.00 ATOM 1574 CB PRO 198 69.138 14.597 -8.699 1.00 0.00 ATOM 1575 CG PRO 198 70.059 15.030 -7.565 1.00 0.00 ATOM 1576 CD PRO 198 69.102 15.130 -6.376 1.00 0.00 ATOM 1577 O PRO 198 66.029 15.104 -10.021 1.00 0.00 ATOM 1578 C PRO 198 66.594 14.666 -9.013 1.00 0.00 ATOM 1579 N ALA 199 66.148 13.602 -8.340 1.00 0.00 ATOM 1580 CA ALA 199 64.984 12.818 -8.790 1.00 0.00 ATOM 1581 CB ALA 199 64.840 11.528 -7.975 1.00 0.00 ATOM 1582 O ALA 199 62.833 13.497 -9.646 1.00 0.00 ATOM 1583 C ALA 199 63.673 13.606 -8.744 1.00 0.00 ATOM 1584 N ILE 200 63.485 14.374 -7.674 1.00 0.00 ATOM 1585 CA ILE 200 62.300 15.224 -7.553 1.00 0.00 ATOM 1586 CB ILE 200 62.105 15.714 -6.093 1.00 0.00 ATOM 1587 CG1 ILE 200 61.864 14.537 -5.129 1.00 0.00 ATOM 1588 CG2 ILE 200 61.003 16.779 -5.977 1.00 0.00 ATOM 1589 CD1 ILE 200 60.814 13.502 -5.543 1.00 0.00 ATOM 1590 O ILE 200 61.317 16.633 -9.261 1.00 0.00 ATOM 1591 C ILE 200 62.329 16.376 -8.602 1.00 0.00 ATOM 1592 N THR 201 63.487 17.026 -8.772 1.00 0.00 ATOM 1593 CA THR 201 63.696 18.077 -9.789 1.00 0.00 ATOM 1594 CB THR 201 65.190 18.537 -9.845 1.00 0.00 ATOM 1595 CG2 THR 201 65.374 19.807 -10.680 1.00 0.00 ATOM 1596 OG1 THR 201 65.676 18.783 -8.521 1.00 0.00 ATOM 1597 O THR 201 62.795 18.339 -12.014 1.00 0.00 ATOM 1598 C THR 201 63.280 17.567 -11.172 1.00 0.00 ATOM 1599 N ARG 202 63.486 16.262 -11.382 1.00 0.00 ATOM 1600 CA ARG 202 63.100 15.547 -12.598 1.00 0.00 ATOM 1601 CB ARG 202 63.738 14.156 -12.623 1.00 0.00 ATOM 1602 CG ARG 202 64.740 13.911 -13.733 1.00 0.00 ATOM 1603 CD ARG 202 64.151 12.969 -14.793 1.00 0.00 ATOM 1604 NE ARG 202 65.170 12.362 -15.671 1.00 0.00 ATOM 1605 CZ ARG 202 65.792 11.207 -15.423 1.00 0.00 ATOM 1606 NH1 ARG 202 66.687 10.735 -16.278 1.00 0.00 ATOM 1607 NH2 ARG 202 65.513 10.514 -14.318 1.00 0.00 ATOM 1608 O ARG 202 61.014 15.676 -13.738 1.00 0.00 ATOM 1609 C ARG 202 61.596 15.387 -12.697 1.00 0.00 ATOM 1610 N LEU 203 60.970 14.909 -11.623 1.00 0.00 ATOM 1611 CA LEU 203 59.530 14.690 -11.625 1.00 0.00 ATOM 1612 CB LEU 203 59.032 14.117 -10.289 1.00 0.00 ATOM 1613 CG LEU 203 59.360 12.668 -9.902 1.00 0.00 ATOM 1614 CD1 LEU 203 58.664 12.308 -8.601 1.00 0.00 ATOM 1615 CD2 LEU 203 59.002 11.643 -10.985 1.00 0.00 ATOM 1616 O LEU 203 57.803 15.949 -12.685 1.00 0.00 ATOM 1617 C LEU 203 58.782 15.974 -11.943 1.00 0.00 ATOM 1618 N LEU 204 59.264 17.089 -11.398 1.00 0.00 ATOM 1619 CA LEU 204 58.597 18.380 -11.547 1.00 0.00 ATOM 1620 CB LEU 204 59.156 19.400 -10.548 1.00 0.00 ATOM 1621 CG LEU 204 59.052 18.984 -9.076 1.00 0.00 ATOM 1622 CD1 LEU 204 59.726 20.010 -8.186 1.00 0.00 ATOM 1623 CD2 LEU 204 57.593 18.751 -8.664 1.00 0.00 ATOM 1624 O LEU 204 57.813 19.710 -13.378 1.00 0.00 ATOM 1625 C LEU 204 58.653 18.908 -12.979 1.00 0.00 ATOM 1626 N ARG 205 59.625 18.431 -13.748 1.00 0.00 ATOM 1627 CA ARG 205 59.791 18.780 -15.171 1.00 0.00 ATOM 1628 CB ARG 205 61.120 18.234 -15.698 1.00 0.00 ATOM 1629 CG ARG 205 62.094 19.294 -16.145 1.00 0.00 ATOM 1630 CD ARG 205 63.373 18.670 -16.656 1.00 0.00 ATOM 1631 NE ARG 205 64.472 18.833 -15.707 1.00 0.00 ATOM 1632 CZ ARG 205 65.244 17.854 -15.248 1.00 0.00 ATOM 1633 NH1 ARG 205 65.074 16.606 -15.653 1.00 0.00 ATOM 1634 NH2 ARG 205 66.206 18.134 -14.394 1.00 0.00 ATOM 1635 O ARG 205 58.468 18.770 -17.185 1.00 0.00 ATOM 1636 C ARG 205 58.668 18.268 -16.075 1.00 0.00 ATOM 1637 N GLU 206 57.937 17.254 -15.608 1.00 0.00 ATOM 1638 CA GLU 206 56.977 16.559 -16.503 1.00 0.00 ATOM 1639 CB GLU 206 56.867 15.067 -16.164 1.00 0.00 ATOM 1640 CG GLU 206 55.880 14.724 -15.084 1.00 0.00 ATOM 1641 CD GLU 206 55.251 13.361 -15.327 1.00 0.00 ATOM 1642 OE1 GLU 206 55.147 12.592 -14.344 1.00 0.00 ATOM 1643 OE2 GLU 206 54.879 13.053 -16.493 1.00 0.00 ATOM 1644 O GLU 206 54.976 17.826 -15.888 1.00 0.00 ATOM 1645 C GLU 206 55.584 17.196 -16.761 1.00 0.00 ATOM 1646 N GLN 207 55.113 16.981 -17.988 1.00 0.00 ATOM 1647 CA GLN 207 53.918 17.626 -18.536 1.00 0.00 ATOM 1648 CB GLN 207 54.255 18.225 -19.904 1.00 0.00 ATOM 1649 CG GLN 207 55.609 18.947 -19.930 1.00 0.00 ATOM 1650 CD GLN 207 55.586 20.251 -19.145 1.00 0.00 ATOM 1651 OE1 GLN 207 55.123 21.276 -19.654 1.00 0.00 ATOM 1652 NE2 GLN 207 56.094 20.224 -17.914 1.00 0.00 ATOM 1653 O GLN 207 51.726 16.828 -17.968 1.00 0.00 ATOM 1654 C GLN 207 52.737 16.664 -18.650 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1906841027.pdb -s /var/tmp/to_scwrl_1906841027.seq -o /var/tmp/from_scwrl_1906841027.pdb > /var/tmp/scwrl_1906841027.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1906841027.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 147 # 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 = -64.828 # GDT_score(maxd=8.000,maxw=2.900)= -66.942 # GDT_score(maxd=8.000,maxw=3.200)= -63.569 # GDT_score(maxd=8.000,maxw=3.500)= -60.212 # GDT_score(maxd=10.000,maxw=3.800)= -63.598 # GDT_score(maxd=10.000,maxw=4.000)= -61.475 # GDT_score(maxd=10.000,maxw=4.200)= -59.409 # GDT_score(maxd=12.000,maxw=4.300)= -63.436 # GDT_score(maxd=12.000,maxw=4.500)= -61.394 # GDT_score(maxd=12.000,maxw=4.700)= -59.416 # GDT_score(maxd=14.000,maxw=5.200)= -58.638 # GDT_score(maxd=14.000,maxw=5.500)= -55.959 # command:# request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1047252943.pdb -s /var/tmp/to_scwrl_1047252943.seq -o /var/tmp/from_scwrl_1047252943.pdb > /var/tmp/scwrl_1047252943.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1047252943.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 189 # 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 = -66.176 # GDT_score(maxd=8.000,maxw=2.900)= -67.720 # GDT_score(maxd=8.000,maxw=3.200)= -64.258 # GDT_score(maxd=8.000,maxw=3.500)= -60.702 # GDT_score(maxd=10.000,maxw=3.800)= -64.083 # GDT_score(maxd=10.000,maxw=4.000)= -61.757 # GDT_score(maxd=10.000,maxw=4.200)= -59.537 # GDT_score(maxd=12.000,maxw=4.300)= -63.679 # GDT_score(maxd=12.000,maxw=4.500)= -61.508 # GDT_score(maxd=12.000,maxw=4.700)= -59.471 # GDT_score(maxd=14.000,maxw=5.200)= -58.708 # GDT_score(maxd=14.000,maxw=5.500)= -56.131 # command:# request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_734478472.pdb -s /var/tmp/to_scwrl_734478472.seq -o /var/tmp/from_scwrl_734478472.pdb > /var/tmp/scwrl_734478472.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_734478472.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 194 # 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 = -49.632 # GDT_score(maxd=8.000,maxw=2.900)= -50.981 # GDT_score(maxd=8.000,maxw=3.200)= -48.375 # GDT_score(maxd=8.000,maxw=3.500)= -45.948 # GDT_score(maxd=10.000,maxw=3.800)= -48.767 # GDT_score(maxd=10.000,maxw=4.000)= -47.173 # GDT_score(maxd=10.000,maxw=4.200)= -45.602 # GDT_score(maxd=12.000,maxw=4.300)= -49.038 # GDT_score(maxd=12.000,maxw=4.500)= -47.473 # GDT_score(maxd=12.000,maxw=4.700)= -45.953 # GDT_score(maxd=14.000,maxw=5.200)= -45.777 # GDT_score(maxd=14.000,maxw=5.500)= -43.676 # command:# request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1812829371.pdb -s /var/tmp/to_scwrl_1812829371.seq -o /var/tmp/from_scwrl_1812829371.pdb > /var/tmp/scwrl_1812829371.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1812829371.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 197 # 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 = -45.343 # GDT_score(maxd=8.000,maxw=2.900)= -44.521 # GDT_score(maxd=8.000,maxw=3.200)= -42.169 # GDT_score(maxd=8.000,maxw=3.500)= -39.964 # GDT_score(maxd=10.000,maxw=3.800)= -43.539 # GDT_score(maxd=10.000,maxw=4.000)= -42.114 # GDT_score(maxd=10.000,maxw=4.200)= -40.705 # GDT_score(maxd=12.000,maxw=4.300)= -44.601 # GDT_score(maxd=12.000,maxw=4.500)= -43.156 # GDT_score(maxd=12.000,maxw=4.700)= -41.745 # GDT_score(maxd=14.000,maxw=5.200)= -42.012 # GDT_score(maxd=14.000,maxw=5.500)= -40.033 # command:# request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_689522641.pdb -s /var/tmp/to_scwrl_689522641.seq -o /var/tmp/from_scwrl_689522641.pdb > /var/tmp/scwrl_689522641.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_689522641.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 T0379.try1-opt2.pdb looking for model 1 # Found a chain break before 193 # 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 = -65.074 # GDT_score(maxd=8.000,maxw=2.900)= -66.764 # GDT_score(maxd=8.000,maxw=3.200)= -63.433 # GDT_score(maxd=8.000,maxw=3.500)= -60.173 # GDT_score(maxd=10.000,maxw=3.800)= -63.535 # GDT_score(maxd=10.000,maxw=4.000)= -61.447 # GDT_score(maxd=10.000,maxw=4.200)= -59.388 # GDT_score(maxd=12.000,maxw=4.300)= -63.419 # GDT_score(maxd=12.000,maxw=4.500)= -61.383 # GDT_score(maxd=12.000,maxw=4.700)= -59.394 # GDT_score(maxd=14.000,maxw=5.200)= -58.616 # GDT_score(maxd=14.000,maxw=5.500)= -55.973 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0379.try1-real.pdb for output Error: Couldn't open file T0379.try1-real.pdb for output superimposing iter= 0 total_weight= 2470.000 rmsd (weighted)= 4.515 (unweighted)= 11.989 superimposing iter= 1 total_weight= 6388.200 rmsd (weighted)= 2.060 (unweighted)= 12.143 superimposing iter= 2 total_weight= 3325.869 rmsd (weighted)= 1.400 (unweighted)= 12.220 superimposing iter= 3 total_weight= 2230.645 rmsd (weighted)= 1.186 (unweighted)= 12.259 superimposing iter= 4 total_weight= 1844.742 rmsd (weighted)= 1.112 (unweighted)= 12.280 superimposing iter= 5 total_weight= 1724.260 rmsd (weighted)= 1.080 (unweighted)= 12.294 EXPDTA T0379.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0379.try1-opt2.pdb ATOM 1 N MET A 1 49.986 25.697 -14.410 1.00 0.00 ATOM 2 CA MET A 1 49.131 24.989 -13.452 1.00 0.00 ATOM 3 CB MET A 1 48.710 23.589 -13.923 1.00 0.00 ATOM 4 CG MET A 1 47.916 22.872 -12.817 1.00 0.00 ATOM 5 SD MET A 1 46.308 23.610 -12.579 1.00 0.00 ATOM 6 CE MET A 1 45.705 23.770 -14.271 1.00 0.00 ATOM 7 O MET A 1 51.039 24.716 -12.035 1.00 0.00 ATOM 8 C MET A 1 49.819 24.877 -12.099 1.00 0.00 ATOM 9 N ILE A 2 49.039 25.002 -11.033 1.00 0.00 ATOM 10 CA ILE A 2 49.590 25.058 -9.680 1.00 0.00 ATOM 11 CB ILE A 2 48.907 26.126 -8.804 1.00 0.00 ATOM 12 CG1 ILE A 2 49.043 27.500 -9.459 1.00 0.00 ATOM 13 CG2 ILE A 2 49.528 26.129 -7.405 1.00 0.00 ATOM 14 CD1 ILE A 2 48.300 28.598 -8.730 1.00 0.00 ATOM 15 O ILE A 2 48.245 23.169 -9.067 1.00 0.00 ATOM 16 C ILE A 2 49.356 23.697 -9.036 1.00 0.00 ATOM 17 N ARG A 3 50.401 23.138 -8.450 1.00 0.00 ATOM 18 CA ARG A 3 50.326 21.842 -7.795 1.00 0.00 ATOM 19 CB ARG A 3 51.353 20.881 -8.396 1.00 0.00 ATOM 20 CG ARG A 3 51.055 20.470 -9.828 1.00 0.00 ATOM 21 CD ARG A 3 52.116 19.523 -10.364 1.00 0.00 ATOM 22 NE ARG A 3 51.798 19.049 -11.709 1.00 0.00 ATOM 23 CZ ARG A 3 52.620 18.322 -12.458 1.00 0.00 ATOM 24 NH1 ARG A 3 52.245 17.935 -13.670 1.00 0.00 ATOM 25 NH2 ARG A 3 53.814 17.981 -11.994 1.00 0.00 ATOM 26 O ARG A 3 51.178 22.948 -5.842 1.00 0.00 ATOM 27 C ARG A 3 50.620 21.951 -6.299 1.00 0.00 ATOM 28 N ASN A 4 50.192 20.946 -5.539 1.00 0.00 ATOM 29 CA ASN A 4 50.419 20.936 -4.098 1.00 0.00 ATOM 30 CB ASN A 4 49.099 20.721 -3.355 1.00 0.00 ATOM 31 CG ASN A 4 49.237 20.905 -1.856 1.00 0.00 ATOM 32 ND2 ASN A 4 48.121 21.177 -1.189 1.00 0.00 ATOM 33 OD1 ASN A 4 50.335 20.804 -1.307 1.00 0.00 ATOM 34 O ASN A 4 51.142 18.650 -4.026 1.00 0.00 ATOM 35 C ASN A 4 51.396 19.820 -3.756 1.00 0.00 ATOM 36 N ILE A 5 52.604 20.150 -3.108 1.00 0.00 ATOM 37 CA ILE A 5 53.609 19.178 -2.713 1.00 0.00 ATOM 38 CB ILE A 5 55.045 19.556 -3.124 1.00 0.00 ATOM 39 CG1 ILE A 5 55.143 19.710 -4.643 1.00 0.00 ATOM 40 CG2 ILE A 5 56.026 18.481 -2.683 1.00 0.00 ATOM 41 CD1 ILE A 5 54.789 18.452 -5.408 1.00 0.00 ATOM 42 O ILE A 5 53.783 20.049 -0.485 1.00 0.00 ATOM 43 C ILE A 5 53.585 19.063 -1.197 1.00 0.00 ATOM 44 N VAL A 6 53.322 17.857 -0.682 1.00 0.00 ATOM 45 CA VAL A 6 53.287 17.627 0.753 1.00 0.00 ATOM 46 CB VAL A 6 51.976 16.962 1.157 1.00 0.00 ATOM 47 CG1 VAL A 6 51.988 16.630 2.642 1.00 0.00 ATOM 48 CG2 VAL A 6 50.859 17.942 0.899 1.00 0.00 ATOM 49 O VAL A 6 54.753 15.854 0.219 1.00 0.00 ATOM 50 C VAL A 6 54.465 16.708 1.048 1.00 0.00 ATOM 51 N PHE A 7 55.174 16.903 2.155 1.00 0.00 ATOM 52 CA PHE A 7 56.361 16.089 2.433 1.00 0.00 ATOM 53 CB PHE A 7 57.631 16.968 2.499 1.00 0.00 ATOM 54 CG PHE A 7 57.933 17.647 1.178 1.00 0.00 ATOM 55 CD1 PHE A 7 58.747 17.030 0.231 1.00 0.00 ATOM 56 CD2 PHE A 7 57.466 18.934 0.924 1.00 0.00 ATOM 57 CE1 PHE A 7 59.011 17.628 -1.003 1.00 0.00 ATOM 58 CE2 PHE A 7 57.726 19.556 -0.299 1.00 0.00 ATOM 59 CZ PHE A 7 58.522 18.911 -1.248 1.00 0.00 ATOM 60 O PHE A 7 55.825 16.078 4.728 1.00 0.00 ATOM 61 C PHE A 7 56.306 15.469 3.807 1.00 0.00 ATOM 62 N ASP A 8 56.793 14.269 3.960 1.00 0.00 ATOM 63 CA ASP A 8 56.864 13.688 5.292 1.00 0.00 ATOM 64 CB ASP A 8 56.914 12.169 5.162 1.00 0.00 ATOM 65 CG ASP A 8 57.201 11.479 6.499 1.00 0.00 ATOM 66 OD1 ASP A 8 57.182 12.142 7.555 1.00 0.00 ATOM 67 OD2 ASP A 8 57.466 10.269 6.487 1.00 0.00 ATOM 68 O ASP A 8 59.294 13.698 5.441 1.00 0.00 ATOM 69 C ASP A 8 58.193 14.078 5.911 1.00 0.00 ATOM 70 N LEU A 9 58.205 14.786 7.108 1.00 0.00 ATOM 71 CA LEU A 9 59.398 15.267 7.771 1.00 0.00 ATOM 72 CB LEU A 9 58.925 15.862 9.099 1.00 0.00 ATOM 73 CG LEU A 9 59.980 16.603 9.923 1.00 0.00 ATOM 74 CD1 LEU A 9 60.467 17.842 9.185 1.00 0.00 ATOM 75 CD2 LEU A 9 59.407 17.042 11.262 1.00 0.00 ATOM 76 O LEU A 9 61.607 14.359 7.461 1.00 0.00 ATOM 77 C LEU A 9 60.534 14.283 8.069 1.00 0.00 ATOM 78 N GLY A 10 60.288 13.356 8.989 1.00 0.00 ATOM 79 CA GLY A 10 61.311 12.409 9.435 1.00 0.00 ATOM 80 O GLY A 10 61.095 10.879 7.614 1.00 0.00 ATOM 81 C GLY A 10 61.833 11.520 8.335 1.00 0.00 ATOM 82 N GLY A 11 63.224 11.561 8.191 1.00 0.00 ATOM 83 CA GLY A 11 63.833 10.711 7.135 1.00 0.00 ATOM 84 O GLY A 11 64.062 10.543 4.786 1.00 0.00 ATOM 85 C GLY A 11 63.654 11.221 5.707 1.00 0.00 ATOM 86 N VAL A 12 62.917 12.374 5.549 1.00 0.00 ATOM 87 CA VAL A 12 62.640 12.941 4.244 1.00 0.00 ATOM 88 CB VAL A 12 61.120 13.029 4.010 1.00 0.00 ATOM 89 CG1 VAL A 12 60.825 13.665 2.662 1.00 0.00 ATOM 90 CG2 VAL A 12 60.498 11.642 4.035 1.00 0.00 ATOM 91 O VAL A 12 63.993 14.662 3.204 1.00 0.00 ATOM 92 C VAL A 12 63.211 14.374 4.117 1.00 0.00 ATOM 93 N LEU A 13 62.817 15.259 5.030 1.00 0.00 ATOM 94 CA LEU A 13 63.365 16.623 5.115 1.00 0.00 ATOM 95 CB LEU A 13 62.457 17.580 5.791 1.00 0.00 ATOM 96 CG LEU A 13 62.967 19.014 5.962 1.00 0.00 ATOM 97 CD1 LEU A 13 63.190 19.640 4.594 1.00 0.00 ATOM 98 CD2 LEU A 13 61.963 19.826 6.769 1.00 0.00 ATOM 99 O LEU A 13 65.661 17.249 5.606 1.00 0.00 ATOM 100 C LEU A 13 64.676 16.616 5.954 1.00 0.00 ATOM 101 N ILE A 14 64.396 15.725 7.067 1.00 0.00 ATOM 102 CA ILE A 14 65.486 15.563 7.991 1.00 0.00 ATOM 103 CB ILE A 14 65.154 16.115 9.401 1.00 0.00 ATOM 104 CG1 ILE A 14 64.107 15.233 10.083 1.00 0.00 ATOM 105 CG2 ILE A 14 64.656 17.551 9.296 1.00 0.00 ATOM 106 CD1 ILE A 14 63.736 15.697 11.476 1.00 0.00 ATOM 107 O ILE A 14 65.084 13.255 7.859 1.00 0.00 ATOM 108 C ILE A 14 65.941 14.104 8.097 1.00 0.00 ATOM 109 N HIS A 15 67.219 13.888 8.309 1.00 0.00 ATOM 110 CA HIS A 15 67.741 12.538 8.557 1.00 0.00 ATOM 111 CB HIS A 15 69.239 12.556 8.247 1.00 0.00 ATOM 112 CG HIS A 15 69.564 13.033 6.866 1.00 0.00 ATOM 113 CD2 HIS A 15 70.180 14.222 6.296 1.00 0.00 ATOM 114 ND1 HIS A 15 69.281 12.293 5.737 1.00 0.00 ATOM 115 CE1 HIS A 15 69.688 12.978 4.653 1.00 0.00 ATOM 116 NE2 HIS A 15 70.228 14.136 4.981 1.00 0.00 ATOM 117 O HIS A 15 68.189 13.338 10.797 1.00 0.00 ATOM 118 C HIS A 15 67.577 12.517 10.088 1.00 0.00 ATOM 119 N LEU A 16 66.717 11.634 10.579 1.00 0.00 ATOM 120 CA LEU A 16 66.362 11.555 11.988 1.00 0.00 ATOM 121 CB LEU A 16 64.860 11.721 12.224 1.00 0.00 ATOM 122 CG LEU A 16 64.402 11.752 13.683 1.00 0.00 ATOM 123 CD1 LEU A 16 64.930 12.994 14.384 1.00 0.00 ATOM 124 CD2 LEU A 16 62.884 11.767 13.769 1.00 0.00 ATOM 125 O LEU A 16 66.592 9.174 11.885 1.00 0.00 ATOM 126 C LEU A 16 66.801 10.199 12.533 1.00 0.00 ATOM 127 N ASN A 17 67.442 10.197 13.696 1.00 0.00 ATOM 128 CA ASN A 17 67.964 8.964 14.269 1.00 0.00 ATOM 129 CB ASN A 17 69.467 8.850 14.011 1.00 0.00 ATOM 130 CG ASN A 17 70.035 7.516 14.457 1.00 0.00 ATOM 131 ND2 ASN A 17 71.206 7.167 13.937 1.00 0.00 ATOM 132 OD1 ASN A 17 69.426 6.810 15.262 1.00 0.00 ATOM 133 O ASN A 17 68.277 9.758 16.540 1.00 0.00 ATOM 134 C ASN A 17 67.703 8.953 15.779 1.00 0.00 ATOM 135 N ARG A 18 66.831 8.037 16.202 1.00 0.00 ATOM 136 CA ARG A 18 66.508 7.861 17.625 1.00 0.00 ATOM 137 CB ARG A 18 64.971 7.474 17.693 1.00 0.00 ATOM 138 CG ARG A 18 64.001 8.547 17.342 1.00 0.00 ATOM 139 CD ARG A 18 62.687 7.964 16.911 1.00 0.00 ATOM 140 NE ARG A 18 61.657 8.973 16.732 1.00 0.00 ATOM 141 CZ ARG A 18 60.678 8.898 15.838 1.00 0.00 ATOM 142 NH1 ARG A 18 60.590 7.864 15.001 1.00 0.00 ATOM 143 NH2 ARG A 18 59.790 9.881 15.773 1.00 0.00 ATOM 144 O ARG A 18 67.482 7.020 19.625 1.00 0.00 ATOM 145 C ARG A 18 67.557 7.088 18.408 1.00 0.00 ATOM 146 N GLU A 19 68.556 6.530 17.730 1.00 0.00 ATOM 147 CA GLU A 19 69.640 5.856 18.456 1.00 0.00 ATOM 148 CB GLU A 19 70.681 5.308 17.477 1.00 0.00 ATOM 149 CG GLU A 19 70.200 4.117 16.664 1.00 0.00 ATOM 150 CD GLU A 19 71.222 3.662 15.640 1.00 0.00 ATOM 151 OE1 GLU A 19 72.277 4.318 15.519 1.00 0.00 ATOM 152 OE2 GLU A 19 70.968 2.645 14.959 1.00 0.00 ATOM 153 O GLU A 19 70.805 6.362 20.486 1.00 0.00 ATOM 154 C GLU A 19 70.322 6.792 19.441 1.00 0.00 ATOM 155 N GLU A 20 70.366 8.063 19.090 1.00 0.00 ATOM 156 CA GLU A 20 70.980 9.065 19.954 1.00 0.00 ATOM 157 CB GLU A 20 71.009 10.426 19.387 1.00 0.00 ATOM 158 CG GLU A 20 71.868 10.528 18.128 1.00 0.00 ATOM 159 CD GLU A 20 73.247 9.904 18.300 1.00 0.00 ATOM 160 OE1 GLU A 20 73.831 10.032 19.395 1.00 0.00 ATOM 161 OE2 GLU A 20 73.749 9.293 17.333 1.00 0.00 ATOM 162 O GLU A 20 70.731 9.340 22.331 1.00 0.00 ATOM 163 C GLU A 20 70.168 9.187 21.244 1.00 0.00 ATOM 164 N SER A 21 68.818 9.111 21.152 1.00 0.00 ATOM 165 CA SER A 21 67.938 9.189 22.320 1.00 0.00 ATOM 166 CB SER A 21 66.482 9.108 21.858 1.00 0.00 ATOM 167 OG SER A 21 65.595 9.096 22.962 1.00 0.00 ATOM 168 O SER A 21 68.368 8.137 24.442 1.00 0.00 ATOM 169 C SER A 21 68.224 7.998 23.229 1.00 0.00 ATOM 170 N ILE A 22 68.288 6.815 22.634 1.00 0.00 ATOM 171 CA ILE A 22 68.599 5.607 23.402 1.00 0.00 ATOM 172 CB ILE A 22 68.564 4.349 22.513 1.00 0.00 ATOM 173 CG1 ILE A 22 67.135 4.062 22.050 1.00 0.00 ATOM 174 CG2 ILE A 22 69.073 3.140 23.284 1.00 0.00 ATOM 175 CD1 ILE A 22 67.045 3.010 20.966 1.00 0.00 ATOM 176 O ILE A 22 70.200 5.341 25.150 1.00 0.00 ATOM 177 C ILE A 22 69.987 5.735 24.001 1.00 0.00 ATOM 178 N ARG A 23 70.953 6.313 23.255 1.00 0.00 ATOM 179 CA ARG A 23 72.302 6.509 23.795 1.00 0.00 ATOM 180 CB ARG A 23 73.155 7.245 22.761 1.00 0.00 ATOM 181 CG ARG A 23 73.582 6.385 21.582 1.00 0.00 ATOM 182 CD ARG A 23 74.385 7.190 20.573 1.00 0.00 ATOM 183 NE ARG A 23 74.761 6.389 19.410 1.00 0.00 ATOM 184 CZ ARG A 23 75.417 6.864 18.357 1.00 0.00 ATOM 185 NH1 ARG A 23 75.717 6.062 17.345 1.00 0.00 ATOM 186 NH2 ARG A 23 75.774 8.142 18.319 1.00 0.00 ATOM 187 O ARG A 23 72.940 7.102 26.036 1.00 0.00 ATOM 188 C ARG A 23 72.254 7.383 25.049 1.00 0.00 ATOM 189 N ARG A 24 71.453 8.354 24.949 1.00 0.00 ATOM 190 CA ARG A 24 71.247 9.278 26.090 1.00 0.00 ATOM 191 CB ARG A 24 70.272 10.392 25.706 1.00 0.00 ATOM 192 CG ARG A 24 69.991 11.382 26.824 1.00 0.00 ATOM 193 CD ARG A 24 71.249 12.132 27.226 1.00 0.00 ATOM 194 NE ARG A 24 70.977 13.168 28.221 1.00 0.00 ATOM 195 CZ ARG A 24 71.916 13.825 28.892 1.00 0.00 ATOM 196 NH1 ARG A 24 71.574 14.751 29.777 1.00 0.00 ATOM 197 NH2 ARG A 24 73.197 13.558 28.674 1.00 0.00 ATOM 198 O ARG A 24 71.168 8.694 28.450 1.00 0.00 ATOM 199 C ARG A 24 70.669 8.551 27.316 1.00 0.00 ATOM 200 N PHE A 25 69.628 7.761 27.090 1.00 0.00 ATOM 201 CA PHE A 25 69.008 6.981 28.170 1.00 0.00 ATOM 202 CB PHE A 25 67.827 6.217 27.644 1.00 0.00 ATOM 203 CG PHE A 25 66.494 6.902 27.561 1.00 0.00 ATOM 204 CD1 PHE A 25 66.429 8.199 27.822 1.00 0.00 ATOM 205 CD2 PHE A 25 65.369 6.246 27.137 1.00 0.00 ATOM 206 CE1 PHE A 25 65.197 8.907 27.747 1.00 0.00 ATOM 207 CE2 PHE A 25 64.150 6.960 27.014 1.00 0.00 ATOM 208 CZ PHE A 25 64.079 8.250 27.350 1.00 0.00 ATOM 209 O PHE A 25 70.015 5.786 29.987 1.00 0.00 ATOM 210 C PHE A 25 70.027 5.991 28.793 1.00 0.00 ATOM 211 N LYS A 26 70.892 5.397 27.958 1.00 0.00 ATOM 212 CA LYS A 26 71.914 4.413 28.431 1.00 0.00 ATOM 213 CB LYS A 26 72.731 3.858 27.292 1.00 0.00 ATOM 214 CG LYS A 26 73.769 2.858 27.771 1.00 0.00 ATOM 215 CD LYS A 26 74.558 2.256 26.631 1.00 0.00 ATOM 216 CE LYS A 26 75.490 1.176 27.142 1.00 0.00 ATOM 217 NZ LYS A 26 76.218 0.517 26.026 1.00 0.00 ATOM 218 O LYS A 26 73.280 4.565 30.421 1.00 0.00 ATOM 219 C LYS A 26 72.901 5.086 29.348 1.00 0.00 ATOM 220 N ALA A 27 73.323 6.283 28.966 1.00 0.00 ATOM 221 CA ALA A 27 74.231 7.031 29.838 1.00 0.00 ATOM 222 CB ALA A 27 74.641 8.353 29.177 1.00 0.00 ATOM 223 O ALA A 27 74.269 7.150 32.202 1.00 0.00 ATOM 224 C ALA A 27 73.611 7.299 31.188 1.00 0.00 ATOM 225 N ILE A 28 72.344 7.711 31.208 1.00 0.00 ATOM 226 CA ILE A 28 71.659 8.004 32.426 1.00 0.00 ATOM 227 CB ILE A 28 70.277 8.576 32.140 1.00 0.00 ATOM 228 CG1 ILE A 28 70.389 9.883 31.289 1.00 0.00 ATOM 229 CG2 ILE A 28 69.591 8.807 33.410 1.00 0.00 ATOM 230 CD1 ILE A 28 69.045 10.431 30.831 1.00 0.00 ATOM 231 O ILE A 28 71.940 6.748 34.471 1.00 0.00 ATOM 232 C ILE A 28 71.578 6.732 33.281 1.00 0.00 ATOM 233 N GLY A 29 71.095 5.654 32.657 1.00 0.00 ATOM 234 CA GLY A 29 71.016 4.355 33.310 1.00 0.00 ATOM 235 O GLY A 29 69.984 3.417 35.261 1.00 0.00 ATOM 236 C GLY A 29 69.954 4.305 34.395 1.00 0.00 ATOM 237 N VAL A 30 72.641 3.829 32.852 1.00 0.00 ATOM 238 CA VAL A 30 73.630 2.744 32.704 1.00 0.00 ATOM 239 CB VAL A 30 74.270 2.376 34.054 1.00 0.00 ATOM 240 CG1 VAL A 30 75.036 3.561 34.622 1.00 0.00 ATOM 241 CG2 VAL A 30 73.201 1.970 35.058 1.00 0.00 ATOM 242 O VAL A 30 73.792 0.429 32.103 1.00 0.00 ATOM 243 C VAL A 30 73.080 1.432 32.146 1.00 0.00 ATOM 244 N ALA A 31 71.829 1.439 31.702 1.00 0.00 ATOM 245 CA ALA A 31 71.240 0.281 31.034 1.00 0.00 ATOM 246 CB ALA A 31 69.728 0.429 30.953 1.00 0.00 ATOM 247 O ALA A 31 71.787 1.195 28.890 1.00 0.00 ATOM 248 C ALA A 31 71.833 0.205 29.620 1.00 0.00 ATOM 249 N ASP A 32 72.400 -0.965 29.235 1.00 0.00 ATOM 250 CA ASP A 32 73.045 -1.064 27.926 1.00 0.00 ATOM 251 CB ASP A 32 73.437 -2.513 27.630 1.00 0.00 ATOM 252 CG ASP A 32 74.600 -2.986 28.479 1.00 0.00 ATOM 253 OD1 ASP A 32 75.228 -2.140 29.152 1.00 0.00 ATOM 254 OD2 ASP A 32 74.886 -4.202 28.471 1.00 0.00 ATOM 255 O ASP A 32 70.958 -0.888 26.761 1.00 0.00 ATOM 256 C ASP A 32 72.149 -0.600 26.783 1.00 0.00 ATOM 257 N ILE A 33 72.736 0.155 25.862 1.00 0.00 ATOM 258 CA ILE A 33 72.046 0.621 24.663 1.00 0.00 ATOM 259 CB ILE A 33 73.034 1.210 23.638 1.00 0.00 ATOM 260 CG1 ILE A 33 73.642 2.510 24.169 1.00 0.00 ATOM 261 CG2 ILE A 33 72.323 1.510 22.326 1.00 0.00 ATOM 262 CD1 ILE A 33 74.815 3.012 23.357 1.00 0.00 ATOM 263 O ILE A 33 70.122 -0.345 23.585 1.00 0.00 ATOM 264 C ILE A 33 71.289 -0.514 23.961 1.00 0.00 ATOM 265 N GLU A 34 71.952 -1.659 23.780 1.00 0.00 ATOM 266 CA GLU A 34 71.338 -2.791 23.068 1.00 0.00 ATOM 267 CB GLU A 34 72.295 -3.986 23.036 1.00 0.00 ATOM 268 CG GLU A 34 73.499 -3.791 22.130 1.00 0.00 ATOM 269 CD GLU A 34 74.484 -4.940 22.217 1.00 0.00 ATOM 270 OE1 GLU A 34 74.261 -5.854 23.040 1.00 0.00 ATOM 271 OE2 GLU A 34 75.479 -4.928 21.462 1.00 0.00 ATOM 272 O GLU A 34 69.088 -3.615 23.064 1.00 0.00 ATOM 273 C GLU A 34 70.046 -3.259 23.737 1.00 0.00 ATOM 274 N GLU A 35 70.001 -3.278 25.079 1.00 0.00 ATOM 275 CA GLU A 35 68.800 -3.701 25.796 1.00 0.00 ATOM 276 CB GLU A 35 69.093 -3.786 27.296 1.00 0.00 ATOM 277 CG GLU A 35 70.026 -4.922 27.682 1.00 0.00 ATOM 278 CD GLU A 35 70.391 -4.899 29.153 1.00 0.00 ATOM 279 OE1 GLU A 35 69.973 -3.955 29.856 1.00 0.00 ATOM 280 OE2 GLU A 35 71.095 -5.828 29.605 1.00 0.00 ATOM 281 O GLU A 35 66.517 -3.085 25.327 1.00 0.00 ATOM 282 C GLU A 35 67.664 -2.679 25.529 1.00 0.00 ATOM 283 N MET A 36 67.998 -1.405 25.547 1.00 0.00 ATOM 284 CA MET A 36 67.004 -0.385 25.276 1.00 0.00 ATOM 285 CB MET A 36 67.591 1.051 25.452 1.00 0.00 ATOM 286 CG MET A 36 66.543 2.178 25.319 1.00 0.00 ATOM 287 SD MET A 36 65.236 2.117 26.494 1.00 0.00 ATOM 288 CE MET A 36 66.097 2.755 27.966 1.00 0.00 ATOM 289 O MET A 36 65.273 -0.343 23.601 1.00 0.00 ATOM 290 C MET A 36 66.473 -0.494 23.840 1.00 0.00 ATOM 291 N LEU A 37 67.359 -0.821 22.903 1.00 0.00 ATOM 292 CA LEU A 37 66.967 -0.978 21.506 1.00 0.00 ATOM 293 CB LEU A 37 68.197 -1.238 20.633 1.00 0.00 ATOM 294 CG LEU A 37 67.934 -1.440 19.139 1.00 0.00 ATOM 295 CD1 LEU A 37 67.300 -0.198 18.532 1.00 0.00 ATOM 296 CD2 LEU A 37 69.234 -1.719 18.398 1.00 0.00 ATOM 297 O LEU A 37 65.046 -2.080 20.606 1.00 0.00 ATOM 298 C LEU A 37 66.023 -2.166 21.341 1.00 0.00 ATOM 299 N ASP A 38 66.327 -3.270 22.026 1.00 0.00 ATOM 300 CA ASP A 38 65.491 -4.476 21.976 1.00 0.00 ATOM 301 CB ASP A 38 66.090 -5.578 22.853 1.00 0.00 ATOM 302 CG ASP A 38 67.335 -6.193 22.248 1.00 0.00 ATOM 303 OD1 ASP A 38 67.603 -5.941 21.055 1.00 0.00 ATOM 304 OD2 ASP A 38 68.045 -6.927 22.967 1.00 0.00 ATOM 305 O ASP A 38 63.123 -4.808 21.921 1.00 0.00 ATOM 306 C ASP A 38 64.060 -4.230 22.462 1.00 0.00 ATOM 307 N PRO A 39 63.894 -3.388 23.483 1.00 0.00 ATOM 308 CA PRO A 39 62.578 -3.140 24.077 1.00 0.00 ATOM 309 CB PRO A 39 62.873 -2.999 25.572 1.00 0.00 ATOM 310 CG PRO A 39 64.184 -2.290 25.627 1.00 0.00 ATOM 311 CD PRO A 39 64.998 -2.825 24.483 1.00 0.00 ATOM 312 O PRO A 39 60.756 -1.564 24.024 1.00 0.00 ATOM 313 C PRO A 39 61.860 -1.883 23.569 1.00 0.00 ATOM 314 N TYR A 40 62.487 -1.179 22.631 1.00 0.00 ATOM 315 CA TYR A 40 61.946 0.059 22.085 1.00 0.00 ATOM 316 CB TYR A 40 63.076 0.959 21.578 1.00 0.00 ATOM 317 CG TYR A 40 62.630 2.356 21.217 1.00 0.00 ATOM 318 CD1 TYR A 40 62.389 3.303 22.205 1.00 0.00 ATOM 319 CD2 TYR A 40 62.453 2.727 19.890 1.00 0.00 ATOM 320 CE1 TYR A 40 61.980 4.584 21.885 1.00 0.00 ATOM 321 CE2 TYR A 40 62.046 4.004 19.551 1.00 0.00 ATOM 322 CZ TYR A 40 61.810 4.934 20.563 1.00 0.00 ATOM 323 OH TYR A 40 61.403 6.209 20.242 1.00 0.00 ATOM 324 O TYR A 40 61.437 -0.326 19.777 1.00 0.00 ATOM 325 C TYR A 40 61.012 -0.268 20.926 1.00 0.00 ATOM 326 N LEU A 41 59.741 -0.509 21.230 1.00 0.00 ATOM 327 CA LEU A 41 58.772 -0.917 20.201 1.00 0.00 ATOM 328 CB LEU A 41 58.016 -2.171 20.643 1.00 0.00 ATOM 329 CG LEU A 41 58.865 -3.414 20.916 1.00 0.00 ATOM 330 CD1 LEU A 41 57.999 -4.554 21.430 1.00 0.00 ATOM 331 CD2 LEU A 41 59.561 -3.879 19.647 1.00 0.00 ATOM 332 O LEU A 41 57.315 0.832 20.874 1.00 0.00 ATOM 333 C LEU A 41 57.761 0.165 19.938 1.00 0.00 ATOM 334 N GLN A 42 57.391 0.323 18.672 1.00 0.00 ATOM 335 CA GLN A 42 56.267 1.169 18.299 1.00 0.00 ATOM 336 CB GLN A 42 56.360 1.564 16.823 1.00 0.00 ATOM 337 CG GLN A 42 55.260 2.505 16.362 1.00 0.00 ATOM 338 CD GLN A 42 55.369 2.853 14.890 1.00 0.00 ATOM 339 OE1 GLN A 42 56.366 2.538 14.241 1.00 0.00 ATOM 340 NE2 GLN A 42 54.341 3.505 14.358 1.00 0.00 ATOM 341 O GLN A 42 54.641 -0.529 17.843 1.00 0.00 ATOM 342 C GLN A 42 54.962 0.421 18.555 1.00 0.00 ATOM 343 N LYS A 43 54.240 0.756 19.570 1.00 0.00 ATOM 344 CA LYS A 43 52.987 0.085 19.898 1.00 0.00 ATOM 345 CB LYS A 43 53.119 -0.746 21.176 1.00 0.00 ATOM 346 CG LYS A 43 54.240 -1.771 21.137 1.00 0.00 ATOM 347 CD LYS A 43 54.141 -2.742 22.304 1.00 0.00 ATOM 348 CE LYS A 43 55.235 -3.794 22.239 1.00 0.00 ATOM 349 NZ LYS A 43 55.192 -4.712 23.411 1.00 0.00 ATOM 350 O LYS A 43 51.813 2.148 19.481 1.00 0.00 ATOM 351 C LYS A 43 51.859 1.071 20.110 1.00 0.00 ATOM 352 N GLY A 44 50.943 0.704 21.005 1.00 0.00 ATOM 353 CA GLY A 44 49.764 1.514 21.223 1.00 0.00 ATOM 354 O GLY A 44 49.457 3.851 21.357 1.00 0.00 ATOM 355 C GLY A 44 50.070 2.888 21.778 1.00 0.00 ATOM 356 N LEU A 45 50.995 2.974 22.731 1.00 0.00 ATOM 357 CA LEU A 45 51.340 4.272 23.310 1.00 0.00 ATOM 358 CB LEU A 45 52.541 4.302 24.117 1.00 0.00 ATOM 359 CG LEU A 45 53.927 4.179 23.481 1.00 0.00 ATOM 360 CD1 LEU A 45 54.980 4.537 24.517 1.00 0.00 ATOM 361 CD2 LEU A 45 54.140 2.773 22.946 1.00 0.00 ATOM 362 O LEU A 45 51.300 6.396 22.171 1.00 0.00 ATOM 363 C LEU A 45 51.742 5.251 22.212 1.00 0.00 ATOM 364 N PHE A 46 52.604 4.796 21.277 1.00 0.00 ATOM 365 CA PHE A 46 53.025 5.624 20.156 1.00 0.00 ATOM 366 CB PHE A 46 53.972 4.827 19.215 1.00 0.00 ATOM 367 CG PHE A 46 55.348 4.596 19.762 1.00 0.00 ATOM 368 CD1 PHE A 46 55.638 3.455 20.506 1.00 0.00 ATOM 369 CD2 PHE A 46 56.364 5.522 19.532 1.00 0.00 ATOM 370 CE1 PHE A 46 56.922 3.241 21.012 1.00 0.00 ATOM 371 CE2 PHE A 46 57.645 5.319 20.033 1.00 0.00 ATOM 372 CZ PHE A 46 57.927 4.176 20.775 1.00 0.00 ATOM 373 O PHE A 46 51.704 7.248 18.966 1.00 0.00 ATOM 374 C PHE A 46 51.842 6.077 19.277 1.00 0.00 ATOM 375 N LEU A 47 50.943 5.157 18.901 1.00 0.00 ATOM 376 CA LEU A 47 49.812 5.512 18.083 1.00 0.00 ATOM 377 CB LEU A 47 48.942 4.285 17.804 1.00 0.00 ATOM 378 CG LEU A 47 49.525 3.244 16.846 1.00 0.00 ATOM 379 CD1 LEU A 47 48.638 2.009 16.791 1.00 0.00 ATOM 380 CD2 LEU A 47 49.640 3.811 15.440 1.00 0.00 ATOM 381 O LEU A 47 48.567 7.555 18.217 1.00 0.00 ATOM 382 C LEU A 47 48.965 6.555 18.806 1.00 0.00 ATOM 383 N ASP A 48 48.722 6.331 20.097 1.00 0.00 ATOM 384 CA ASP A 48 47.894 7.253 20.887 1.00 0.00 ATOM 385 CB ASP A 48 47.596 6.656 22.265 1.00 0.00 ATOM 386 CG ASP A 48 46.618 5.501 22.199 1.00 0.00 ATOM 387 OD1 ASP A 48 45.984 5.316 21.138 1.00 0.00 ATOM 388 OD2 ASP A 48 46.485 4.778 23.209 1.00 0.00 ATOM 389 O ASP A 48 47.866 9.647 21.012 1.00 0.00 ATOM 390 C ASP A 48 48.534 8.609 21.125 1.00 0.00 ATOM 391 N LEU A 49 49.815 8.593 21.495 1.00 0.00 ATOM 392 CA LEU A 49 50.556 9.836 21.674 1.00 0.00 ATOM 393 CB LEU A 49 51.992 9.592 22.122 1.00 0.00 ATOM 394 CG LEU A 49 52.861 10.846 22.158 1.00 0.00 ATOM 395 CD1 LEU A 49 52.371 11.823 23.209 1.00 0.00 ATOM 396 CD2 LEU A 49 54.305 10.483 22.410 1.00 0.00 ATOM 397 O LEU A 49 50.332 11.865 20.410 1.00 0.00 ATOM 398 C LEU A 49 50.575 10.660 20.381 1.00 0.00 ATOM 399 N GLU A 50 50.808 9.992 19.246 1.00 0.00 ATOM 400 CA GLU A 50 50.842 10.692 17.949 1.00 0.00 ATOM 401 CB GLU A 50 50.631 9.403 16.872 1.00 0.00 ATOM 402 CG GLU A 50 51.137 9.544 15.440 1.00 0.00 ATOM 403 CD GLU A 50 50.795 8.370 14.533 1.00 0.00 ATOM 404 OE1 GLU A 50 51.440 8.272 13.463 1.00 0.00 ATOM 405 OE2 GLU A 50 49.899 7.559 14.871 1.00 0.00 ATOM 406 O GLU A 50 49.494 12.458 17.048 1.00 0.00 ATOM 407 C GLU A 50 49.509 11.377 17.620 1.00 0.00 ATOM 408 N SER A 51 48.390 10.765 18.018 1.00 0.00 ATOM 409 CA SER A 51 47.073 11.349 17.761 1.00 0.00 ATOM 410 CB SER A 51 46.010 10.254 17.656 1.00 0.00 ATOM 411 OG SER A 51 45.846 9.583 18.894 1.00 0.00 ATOM 412 O SER A 51 45.563 12.880 18.818 1.00 0.00 ATOM 413 C SER A 51 46.642 12.309 18.878 1.00 0.00 ATOM 414 N GLY A 52 47.485 12.492 19.890 1.00 0.00 ATOM 415 CA GLY A 52 47.191 13.420 20.986 1.00 0.00 ATOM 416 O GLY A 52 45.565 13.649 22.742 1.00 0.00 ATOM 417 C GLY A 52 46.178 12.881 21.998 1.00 0.00 ATOM 418 N ARG A 53 46.018 11.559 22.024 1.00 0.00 ATOM 419 CA ARG A 53 45.027 10.890 22.866 1.00 0.00 ATOM 420 CB ARG A 53 44.595 9.565 22.234 1.00 0.00 ATOM 421 CG ARG A 53 43.869 9.718 20.907 1.00 0.00 ATOM 422 CD ARG A 53 43.484 8.366 20.331 1.00 0.00 ATOM 423 NE ARG A 53 42.801 8.494 19.046 1.00 0.00 ATOM 424 CZ ARG A 53 42.559 7.477 18.224 1.00 0.00 ATOM 425 NH1 ARG A 53 41.933 7.689 17.075 1.00 0.00 ATOM 426 NH2 ARG A 53 42.945 6.252 18.552 1.00 0.00 ATOM 427 O ARG A 53 44.722 10.399 25.195 1.00 0.00 ATOM 428 C ARG A 53 45.531 10.559 24.279 1.00 0.00 ATOM 429 N LYS A 54 46.850 10.490 24.459 1.00 0.00 ATOM 430 CA LYS A 54 47.434 10.421 25.795 1.00 0.00 ATOM 431 CB LYS A 54 48.149 9.085 26.000 1.00 0.00 ATOM 432 CG LYS A 54 47.225 7.878 25.991 1.00 0.00 ATOM 433 CD LYS A 54 47.992 6.592 26.247 1.00 0.00 ATOM 434 CE LYS A 54 47.064 5.388 26.265 1.00 0.00 ATOM 435 NZ LYS A 54 47.799 4.124 26.543 1.00 0.00 ATOM 436 O LYS A 54 49.036 12.041 24.989 1.00 0.00 ATOM 437 C LYS A 54 48.443 11.555 25.972 1.00 0.00 ATOM 438 N SER A 55 48.615 11.993 27.213 1.00 0.00 ATOM 439 CA SER A 55 49.539 13.075 27.522 1.00 0.00 ATOM 440 CB SER A 55 49.367 13.527 28.973 1.00 0.00 ATOM 441 OG SER A 55 49.787 12.519 29.876 1.00 0.00 ATOM 442 O SER A 55 51.305 11.461 27.302 1.00 0.00 ATOM 443 C SER A 55 50.999 12.652 27.391 1.00 0.00 ATOM 444 N GLU A 56 51.903 13.644 27.368 1.00 0.00 ATOM 445 CA GLU A 56 53.334 13.389 27.264 1.00 0.00 ATOM 446 CB GLU A 56 54.094 14.715 27.335 1.00 0.00 ATOM 447 CG GLU A 56 53.952 15.578 26.093 1.00 0.00 ATOM 448 CD GLU A 56 52.663 16.377 26.081 1.00 0.00 ATOM 449 OE1 GLU A 56 51.859 16.221 27.023 1.00 0.00 ATOM 450 OE2 GLU A 56 52.455 17.158 25.128 1.00 0.00 ATOM 451 O GLU A 56 54.553 11.621 28.327 1.00 0.00 ATOM 452 C GLU A 56 53.757 12.547 28.457 1.00 0.00 ATOM 453 N GLU A 57 53.211 12.863 29.642 1.00 0.00 ATOM 454 CA GLU A 57 53.512 12.134 30.864 1.00 0.00 ATOM 455 CB GLU A 57 52.806 12.749 32.065 1.00 0.00 ATOM 456 CG GLU A 57 53.325 14.083 32.515 1.00 0.00 ATOM 457 CD GLU A 57 52.567 14.586 33.731 1.00 0.00 ATOM 458 OE1 GLU A 57 52.685 13.961 34.809 1.00 0.00 ATOM 459 OE2 GLU A 57 51.843 15.596 33.604 1.00 0.00 ATOM 460 O GLU A 57 53.800 9.762 31.183 1.00 0.00 ATOM 461 C GLU A 57 53.062 10.670 30.789 1.00 0.00 ATOM 462 N GLU A 58 51.872 10.433 30.235 1.00 0.00 ATOM 463 CA GLU A 58 51.353 9.073 30.076 1.00 0.00 ATOM 464 CB GLU A 58 49.899 9.106 29.598 1.00 0.00 ATOM 465 CG GLU A 58 48.914 9.605 30.642 1.00 0.00 ATOM 466 CD GLU A 58 47.506 9.741 30.096 1.00 0.00 ATOM 467 OE1 GLU A 58 47.315 9.515 28.883 1.00 0.00 ATOM 468 OE2 GLU A 58 46.595 10.075 30.882 1.00 0.00 ATOM 469 O GLU A 58 52.461 7.103 29.254 1.00 0.00 ATOM 470 C GLU A 58 52.166 8.279 29.045 1.00 0.00 ATOM 471 N PHE A 59 52.517 8.934 27.934 1.00 0.00 ATOM 472 CA PHE A 59 53.439 8.378 26.937 1.00 0.00 ATOM 473 CB PHE A 59 53.923 9.387 25.959 1.00 0.00 ATOM 474 CG PHE A 59 54.722 8.795 24.832 1.00 0.00 ATOM 475 CD1 PHE A 59 54.122 7.940 23.910 1.00 0.00 ATOM 476 CD2 PHE A 59 56.077 9.084 24.692 1.00 0.00 ATOM 477 CE1 PHE A 59 54.858 7.380 22.867 1.00 0.00 ATOM 478 CE2 PHE A 59 56.823 8.530 23.654 1.00 0.00 ATOM 479 CZ PHE A 59 56.212 7.675 22.739 1.00 0.00 ATOM 480 O PHE A 59 55.273 6.900 27.462 1.00 0.00 ATOM 481 C PHE A 59 54.767 8.008 27.605 1.00 0.00 ATOM 482 N ARG A 60 55.339 8.948 28.364 1.00 0.00 ATOM 483 CA ARG A 60 56.622 8.677 29.017 1.00 0.00 ATOM 484 CB ARG A 60 57.037 9.908 29.824 1.00 0.00 ATOM 485 CG ARG A 60 57.447 11.100 28.973 1.00 0.00 ATOM 486 CD ARG A 60 57.987 12.232 29.832 1.00 0.00 ATOM 487 NE ARG A 60 58.328 13.408 29.036 1.00 0.00 ATOM 488 CZ ARG A 60 57.490 14.409 28.783 1.00 0.00 ATOM 489 NH1 ARG A 60 57.887 15.438 28.048 1.00 0.00 ATOM 490 NH2 ARG A 60 56.256 14.376 29.267 1.00 0.00 ATOM 491 O ARG A 60 57.334 6.627 30.028 1.00 0.00 ATOM 492 C ARG A 60 56.476 7.499 29.987 1.00 0.00 ATOM 493 N THR A 61 55.397 7.495 30.769 1.00 0.00 ATOM 494 CA THR A 61 55.081 6.368 31.665 1.00 0.00 ATOM 495 CB THR A 61 53.688 6.525 32.300 1.00 0.00 ATOM 496 CG2 THR A 61 53.375 5.340 33.201 1.00 0.00 ATOM 497 OG1 THR A 61 53.647 7.726 33.081 1.00 0.00 ATOM 498 O THR A 61 55.746 4.079 31.424 1.00 0.00 ATOM 499 C THR A 61 55.079 5.009 30.970 1.00 0.00 ATOM 500 N GLU A 62 54.334 4.898 29.869 1.00 0.00 ATOM 501 CA GLU A 62 54.213 3.635 29.135 1.00 0.00 ATOM 502 CB GLU A 62 53.283 3.802 27.932 1.00 0.00 ATOM 503 CG GLU A 62 51.812 3.923 28.296 1.00 0.00 ATOM 504 CD GLU A 62 51.291 2.704 29.029 1.00 0.00 ATOM 505 OE1 GLU A 62 51.464 1.581 28.511 1.00 0.00 ATOM 506 OE2 GLU A 62 50.708 2.871 30.121 1.00 0.00 ATOM 507 O GLU A 62 55.872 1.937 28.725 1.00 0.00 ATOM 508 C GLU A 62 55.551 3.127 28.605 1.00 0.00 ATOM 509 N LEU A 63 56.336 4.028 28.010 1.00 0.00 ATOM 510 CA LEU A 63 57.657 3.661 27.496 1.00 0.00 ATOM 511 CB LEU A 63 58.295 4.846 26.769 1.00 0.00 ATOM 512 CG LEU A 63 59.678 4.601 26.161 1.00 0.00 ATOM 513 CD1 LEU A 63 59.619 3.503 25.111 1.00 0.00 ATOM 514 CD2 LEU A 63 60.206 5.864 25.497 1.00 0.00 ATOM 515 O LEU A 63 59.327 2.262 28.460 1.00 0.00 ATOM 516 C LEU A 63 58.608 3.244 28.608 1.00 0.00 ATOM 517 N SER A 64 58.604 3.980 29.719 1.00 0.00 ATOM 518 CA SER A 64 59.474 3.659 30.849 1.00 0.00 ATOM 519 CB SER A 64 59.337 4.715 31.949 1.00 0.00 ATOM 520 OG SER A 64 59.826 5.971 31.512 1.00 0.00 ATOM 521 O SER A 64 60.033 1.528 31.785 1.00 0.00 ATOM 522 C SER A 64 59.133 2.301 31.471 1.00 0.00 ATOM 523 N ARG A 65 57.836 2.025 31.626 1.00 0.00 ATOM 524 CA ARG A 65 57.379 0.700 32.055 1.00 0.00 ATOM 525 CB ARG A 65 55.851 0.653 32.115 1.00 0.00 ATOM 526 CG ARG A 65 55.249 1.465 33.251 1.00 0.00 ATOM 527 CD ARG A 65 53.731 1.413 33.224 1.00 0.00 ATOM 528 NE ARG A 65 53.136 2.229 34.279 1.00 0.00 ATOM 529 CZ ARG A 65 51.829 2.400 34.443 1.00 0.00 ATOM 530 NH1 ARG A 65 51.377 3.160 35.432 1.00 0.00 ATOM 531 NH2 ARG A 65 50.973 1.812 33.617 1.00 0.00 ATOM 532 O ARG A 65 58.403 -1.413 31.554 1.00 0.00 ATOM 533 C ARG A 65 57.832 -0.414 31.116 1.00 0.00 ATOM 534 N TYR A 66 57.561 -0.238 29.796 1.00 0.00 ATOM 535 CA TYR A 66 57.945 -1.237 28.805 1.00 0.00 ATOM 536 CB TYR A 66 57.537 -0.775 27.405 1.00 0.00 ATOM 537 CG TYR A 66 56.041 -0.727 27.187 1.00 0.00 ATOM 538 CD1 TYR A 66 55.175 -1.371 28.062 1.00 0.00 ATOM 539 CD2 TYR A 66 55.502 -0.040 26.107 1.00 0.00 ATOM 540 CE1 TYR A 66 53.807 -1.331 27.870 1.00 0.00 ATOM 541 CE2 TYR A 66 54.136 0.008 25.900 1.00 0.00 ATOM 542 CZ TYR A 66 53.288 -0.646 26.794 1.00 0.00 ATOM 543 OH TYR A 66 51.927 -0.606 26.602 1.00 0.00 ATOM 544 O TYR A 66 59.879 -2.668 28.480 1.00 0.00 ATOM 545 C TYR A 66 59.457 -1.528 28.753 1.00 0.00 ATOM 546 N ILE A 67 60.264 -0.492 28.980 1.00 0.00 ATOM 547 CA ILE A 67 61.711 -0.586 28.821 1.00 0.00 ATOM 548 CB ILE A 67 62.280 0.649 28.101 1.00 0.00 ATOM 549 CG1 ILE A 67 62.050 1.908 28.940 1.00 0.00 ATOM 550 CG2 ILE A 67 61.605 0.839 26.752 1.00 0.00 ATOM 551 CD1 ILE A 67 62.761 3.134 28.411 1.00 0.00 ATOM 552 O ILE A 67 63.682 -0.795 30.203 1.00 0.00 ATOM 553 C ILE A 67 62.441 -0.726 30.161 1.00 0.00 ATOM 554 N GLY A 68 61.664 -0.775 31.247 1.00 0.00 ATOM 555 CA GLY A 68 62.204 -0.829 32.618 1.00 0.00 ATOM 556 O GLY A 68 64.218 0.184 33.505 1.00 0.00 ATOM 557 C GLY A 68 63.148 0.348 32.901 1.00 0.00 ATOM 558 N LYS A 69 62.745 1.538 32.456 1.00 0.00 ATOM 559 CA LYS A 69 63.546 2.743 32.664 1.00 0.00 ATOM 560 CB LYS A 69 63.651 3.579 31.593 1.00 0.00 ATOM 561 CG LYS A 69 64.872 3.031 30.861 1.00 0.00 ATOM 562 CD LYS A 69 66.185 3.416 31.527 1.00 0.00 ATOM 563 CE LYS A 69 66.692 4.770 31.014 1.00 0.00 ATOM 564 NZ LYS A 69 68.072 5.156 31.529 1.00 0.00 ATOM 565 O LYS A 69 62.048 3.999 34.026 1.00 0.00 ATOM 566 C LYS A 69 63.153 3.475 33.937 1.00 0.00 ATOM 567 N GLU A 70 64.060 3.521 34.927 1.00 0.00 ATOM 568 CA GLU A 70 63.746 4.307 36.109 1.00 0.00 ATOM 569 CB GLU A 70 64.549 3.811 37.313 1.00 0.00 ATOM 570 CG GLU A 70 64.243 2.377 37.714 1.00 0.00 ATOM 571 CD GLU A 70 65.181 1.859 38.787 1.00 0.00 ATOM 572 OE1 GLU A 70 66.154 2.569 39.119 1.00 0.00 ATOM 573 OE2 GLU A 70 64.944 0.744 39.295 1.00 0.00 ATOM 574 O GLU A 70 65.143 6.260 36.301 1.00 0.00 ATOM 575 C GLU A 70 64.088 5.782 35.866 1.00 0.00 ATOM 576 N LEU A 71 63.167 6.435 35.010 1.00 0.00 ATOM 577 CA LEU A 71 63.379 7.842 34.676 1.00 0.00 ATOM 578 CB LEU A 71 63.409 8.045 33.159 1.00 0.00 ATOM 579 CG LEU A 71 64.535 7.307 32.444 1.00 0.00 ATOM 580 CD1 LEU A 71 64.455 7.480 30.944 1.00 0.00 ATOM 581 CD2 LEU A 71 65.894 7.789 32.935 1.00 0.00 ATOM 582 O LEU A 71 61.094 8.245 35.181 1.00 0.00 ATOM 583 C LEU A 71 62.230 8.688 35.183 1.00 0.00 ATOM 584 N THR A 72 62.526 9.916 35.591 1.00 0.00 ATOM 585 CA THR A 72 61.482 10.910 35.827 1.00 0.00 ATOM 586 CB THR A 72 62.008 12.092 36.664 1.00 0.00 ATOM 587 CG2 THR A 72 62.576 11.599 37.985 1.00 0.00 ATOM 588 OG1 THR A 72 63.038 12.773 35.939 1.00 0.00 ATOM 589 O THR A 72 61.694 11.166 33.443 1.00 0.00 ATOM 590 C THR A 72 61.033 11.429 34.466 1.00 0.00 ATOM 591 N TYR A 73 59.930 12.185 34.453 1.00 0.00 ATOM 592 CA TYR A 73 59.452 12.736 33.191 1.00 0.00 ATOM 593 CB TYR A 73 58.401 13.974 33.761 1.00 0.00 ATOM 594 CG TYR A 73 57.706 13.776 35.080 1.00 0.00 ATOM 595 CD1 TYR A 73 58.146 14.446 36.225 1.00 0.00 ATOM 596 CD2 TYR A 73 56.619 12.914 35.193 1.00 0.00 ATOM 597 CE1 TYR A 73 57.523 14.262 37.441 1.00 0.00 ATOM 598 CE2 TYR A 73 55.983 12.719 36.417 1.00 0.00 ATOM 599 CZ TYR A 73 56.447 13.398 37.535 1.00 0.00 ATOM 600 OH TYR A 73 55.838 13.213 38.753 1.00 0.00 ATOM 601 O TYR A 73 60.793 13.598 31.366 1.00 0.00 ATOM 602 C TYR A 73 60.547 13.638 32.580 1.00 0.00 ATOM 603 N GLN A 74 61.205 14.432 33.424 1.00 0.00 ATOM 604 CA GLN A 74 62.229 15.373 32.968 1.00 0.00 ATOM 605 CB GLN A 74 62.792 16.165 34.149 1.00 0.00 ATOM 606 CG GLN A 74 61.824 17.179 34.736 1.00 0.00 ATOM 607 CD GLN A 74 62.372 17.864 35.973 1.00 0.00 ATOM 608 OE1 GLN A 74 63.451 17.520 36.456 1.00 0.00 ATOM 609 NE2 GLN A 74 61.630 18.836 36.488 1.00 0.00 ATOM 610 O GLN A 74 63.904 15.127 31.272 1.00 0.00 ATOM 611 C GLN A 74 63.398 14.660 32.294 1.00 0.00 ATOM 612 N GLN A 75 63.819 13.546 32.887 1.00 0.00 ATOM 613 CA GLN A 75 64.884 12.727 32.338 1.00 0.00 ATOM 614 CB GLN A 75 65.273 11.622 33.322 1.00 0.00 ATOM 615 CG GLN A 75 65.986 12.122 34.568 1.00 0.00 ATOM 616 CD GLN A 75 66.255 11.015 35.569 1.00 0.00 ATOM 617 OE1 GLN A 75 65.821 9.878 35.383 1.00 0.00 ATOM 618 NE2 GLN A 75 66.974 11.347 36.634 1.00 0.00 ATOM 619 O GLN A 75 65.260 11.987 30.094 1.00 0.00 ATOM 620 C GLN A 75 64.464 12.097 31.012 1.00 0.00 ATOM 621 N VAL A 76 63.201 11.646 30.949 1.00 0.00 ATOM 622 CA VAL A 76 62.645 11.044 29.743 1.00 0.00 ATOM 623 CB VAL A 76 61.175 10.624 29.929 1.00 0.00 ATOM 624 CG1 VAL A 76 60.564 10.222 28.596 1.00 0.00 ATOM 625 CG2 VAL A 76 61.074 9.442 30.880 1.00 0.00 ATOM 626 O VAL A 76 63.080 11.808 27.497 1.00 0.00 ATOM 627 C VAL A 76 62.639 12.079 28.620 1.00 0.00 ATOM 628 N TYR A 77 62.127 13.283 28.928 1.00 0.00 ATOM 629 CA TYR A 77 62.074 14.372 27.962 1.00 0.00 ATOM 630 CB TYR A 77 61.168 15.463 28.452 1.00 0.00 ATOM 631 CG TYR A 77 61.090 16.623 27.487 1.00 0.00 ATOM 632 CD1 TYR A 77 60.346 16.527 26.309 1.00 0.00 ATOM 633 CD2 TYR A 77 61.800 17.801 27.724 1.00 0.00 ATOM 634 CE1 TYR A 77 60.313 17.571 25.393 1.00 0.00 ATOM 635 CE2 TYR A 77 61.775 18.852 26.814 1.00 0.00 ATOM 636 CZ TYR A 77 61.030 18.730 25.650 1.00 0.00 ATOM 637 OH TYR A 77 61.004 19.764 24.749 1.00 0.00 ATOM 638 O TYR A 77 63.670 15.161 26.385 1.00 0.00 ATOM 639 C TYR A 77 63.457 14.854 27.552 1.00 0.00 ATOM 640 N ASP A 78 64.433 14.913 28.483 1.00 0.00 ATOM 641 CA ASP A 78 65.785 15.347 28.142 1.00 0.00 ATOM 642 CB ASP A 78 66.630 15.317 29.416 1.00 0.00 ATOM 643 CG ASP A 78 66.318 16.470 30.350 1.00 0.00 ATOM 644 OD1 ASP A 78 65.629 17.416 29.916 1.00 0.00 ATOM 645 OD2 ASP A 78 66.761 16.425 31.517 1.00 0.00 ATOM 646 O ASP A 78 67.013 14.818 26.161 1.00 0.00 ATOM 647 C ASP A 78 66.411 14.391 27.132 1.00 0.00 ATOM 648 N ALA A 79 66.283 13.090 27.391 1.00 0.00 ATOM 649 CA ALA A 79 66.752 12.057 26.446 1.00 0.00 ATOM 650 CB ALA A 79 66.433 10.668 26.976 1.00 0.00 ATOM 651 O ALA A 79 66.673 12.120 24.039 1.00 0.00 ATOM 652 C ALA A 79 66.031 12.175 25.095 1.00 0.00 ATOM 653 N LEU A 80 64.719 12.397 25.125 1.00 0.00 ATOM 654 CA LEU A 80 63.948 12.543 23.892 1.00 0.00 ATOM 655 CB LEU A 80 62.479 12.729 24.222 1.00 0.00 ATOM 656 CG LEU A 80 61.554 12.942 23.020 1.00 0.00 ATOM 657 CD1 LEU A 80 61.746 11.819 22.005 1.00 0.00 ATOM 658 CD2 LEU A 80 60.108 12.998 23.491 1.00 0.00 ATOM 659 O LEU A 80 64.537 13.681 21.844 1.00 0.00 ATOM 660 C LEU A 80 64.448 13.740 23.079 1.00 0.00 ATOM 661 N LEU A 81 64.766 14.829 23.781 1.00 0.00 ATOM 662 CA LEU A 81 65.294 16.051 23.161 1.00 0.00 ATOM 663 CB LEU A 81 65.206 17.200 24.281 1.00 0.00 ATOM 664 CG LEU A 81 65.777 18.540 23.787 1.00 0.00 ATOM 665 CD1 LEU A 81 64.946 19.074 22.592 1.00 0.00 ATOM 666 CD2 LEU A 81 65.825 19.545 24.947 1.00 0.00 ATOM 667 O LEU A 81 66.972 16.629 21.533 1.00 0.00 ATOM 668 C LEU A 81 66.615 15.835 22.420 1.00 0.00 ATOM 669 N GLY A 82 67.227 14.593 22.775 1.00 0.00 ATOM 670 CA GLY A 82 68.565 14.292 22.231 1.00 0.00 ATOM 671 O GLY A 82 69.407 12.723 20.677 1.00 0.00 ATOM 672 C GLY A 82 68.448 13.444 20.983 1.00 0.00 ATOM 673 N PHE A 83 67.333 13.493 20.243 1.00 0.00 ATOM 674 CA PHE A 83 67.197 12.723 19.023 1.00 0.00 ATOM 675 CB PHE A 83 65.673 12.451 18.766 1.00 0.00 ATOM 676 CG PHE A 83 64.886 13.735 18.553 1.00 0.00 ATOM 677 CD1 PHE A 83 64.353 14.445 19.613 1.00 0.00 ATOM 678 CD2 PHE A 83 64.700 14.215 17.294 1.00 0.00 ATOM 679 CE1 PHE A 83 63.666 15.634 19.398 1.00 0.00 ATOM 680 CE2 PHE A 83 63.992 15.400 17.080 1.00 0.00 ATOM 681 CZ PHE A 83 63.490 16.107 18.112 1.00 0.00 ATOM 682 O PHE A 83 68.188 14.622 17.913 1.00 0.00 ATOM 683 C PHE A 83 68.077 13.398 17.975 1.00 0.00 ATOM 684 N LEU A 84 68.752 12.625 17.112 1.00 0.00 ATOM 685 CA LEU A 84 69.686 13.123 16.117 1.00 0.00 ATOM 686 CB LEU A 84 70.669 12.061 15.621 1.00 0.00 ATOM 687 CG LEU A 84 71.672 12.510 14.557 1.00 0.00 ATOM 688 CD1 LEU A 84 72.629 13.547 15.125 1.00 0.00 ATOM 689 CD2 LEU A 84 72.492 11.330 14.058 1.00 0.00 ATOM 690 O LEU A 84 68.027 12.796 14.409 1.00 0.00 ATOM 691 C LEU A 84 68.837 13.571 14.940 1.00 0.00 ATOM 692 N GLU A 85 69.035 14.821 14.527 1.00 0.00 ATOM 693 CA GLU A 85 68.314 15.399 13.412 1.00 0.00 ATOM 694 CB GLU A 85 66.911 15.857 13.895 1.00 0.00 ATOM 695 CG GLU A 85 66.852 17.283 14.423 1.00 0.00 ATOM 696 CD GLU A 85 65.461 17.683 14.908 1.00 0.00 ATOM 697 OE1 GLU A 85 65.238 18.892 15.139 1.00 0.00 ATOM 698 OE2 GLU A 85 64.596 16.794 15.071 1.00 0.00 ATOM 699 O GLU A 85 69.926 17.145 13.047 1.00 0.00 ATOM 700 C GLU A 85 69.283 16.231 12.547 1.00 0.00 ATOM 701 N GLU A 86 69.392 15.889 11.264 1.00 0.00 ATOM 702 CA GLU A 86 70.175 16.689 10.309 1.00 0.00 ATOM 703 CB GLU A 86 71.368 15.886 9.789 1.00 0.00 ATOM 704 CG GLU A 86 72.238 16.640 8.795 1.00 0.00 ATOM 705 CD GLU A 86 73.429 15.826 8.330 1.00 0.00 ATOM 706 OE1 GLU A 86 73.541 14.651 8.736 1.00 0.00 ATOM 707 OE2 GLU A 86 74.251 16.364 7.558 1.00 0.00 ATOM 708 O GLU A 86 68.665 16.272 8.509 1.00 0.00 ATOM 709 C GLU A 86 69.309 17.103 9.128 1.00 0.00 ATOM 710 N ILE A 87 69.431 18.452 8.796 1.00 0.00 ATOM 711 CA ILE A 87 68.726 18.946 7.629 1.00 0.00 ATOM 712 CB ILE A 87 68.790 20.479 7.506 1.00 0.00 ATOM 713 CG1 ILE A 87 70.243 20.944 7.379 1.00 0.00 ATOM 714 CG2 ILE A 87 68.180 21.138 8.734 1.00 0.00 ATOM 715 CD1 ILE A 87 70.388 22.417 7.068 1.00 0.00 ATOM 716 O ILE A 87 70.521 18.062 6.292 1.00 0.00 ATOM 717 C ILE A 87 69.326 18.351 6.344 1.00 0.00 ATOM 718 N SER A 88 68.471 18.128 5.348 1.00 0.00 ATOM 719 CA SER A 88 68.900 17.822 3.973 1.00 0.00 ATOM 720 CB SER A 88 68.045 16.699 3.384 1.00 0.00 ATOM 721 OG SER A 88 68.200 15.498 4.120 1.00 0.00 ATOM 722 O SER A 88 67.610 19.418 2.750 1.00 0.00 ATOM 723 C SER A 88 68.716 19.116 3.193 1.00 0.00 ATOM 724 N ALA A 89 69.784 19.928 3.097 1.00 0.00 ATOM 725 CA ALA A 89 69.627 21.285 2.531 1.00 0.00 ATOM 726 CB ALA A 89 70.955 22.024 2.551 1.00 0.00 ATOM 727 O ALA A 89 68.419 22.193 0.669 1.00 0.00 ATOM 728 C ALA A 89 69.136 21.277 1.079 1.00 0.00 ATOM 729 N GLU A 90 69.485 20.232 0.337 1.00 0.00 ATOM 730 CA GLU A 90 69.009 20.053 -1.041 1.00 0.00 ATOM 731 CB GLU A 90 69.565 18.759 -1.637 1.00 0.00 ATOM 732 CG GLU A 90 71.060 18.792 -1.909 1.00 0.00 ATOM 733 CD GLU A 90 71.454 19.900 -2.866 1.00 0.00 ATOM 734 OE1 GLU A 90 70.854 19.982 -3.958 1.00 0.00 ATOM 735 OE2 GLU A 90 72.363 20.685 -2.523 1.00 0.00 ATOM 736 O GLU A 90 66.954 20.620 -2.070 1.00 0.00 ATOM 737 C GLU A 90 67.506 20.042 -1.146 1.00 0.00 ATOM 738 N LYS A 91 66.906 19.380 -0.217 1.00 0.00 ATOM 739 CA LYS A 91 65.443 19.296 -0.188 1.00 0.00 ATOM 740 CB LYS A 91 64.978 18.263 0.843 1.00 0.00 ATOM 741 CG LYS A 91 65.156 16.821 0.398 1.00 0.00 ATOM 742 CD LYS A 91 66.623 16.429 0.362 1.00 0.00 ATOM 743 CE LYS A 91 66.792 14.934 0.143 1.00 0.00 ATOM 744 NZ LYS A 91 68.212 14.509 0.285 1.00 0.00 ATOM 745 O LYS A 91 63.828 21.086 -0.350 1.00 0.00 ATOM 746 C LYS A 91 64.812 20.639 0.229 1.00 0.00 ATOM 747 N PHE A 92 65.400 21.273 1.206 1.00 0.00 ATOM 748 CA PHE A 92 64.981 22.633 1.588 1.00 0.00 ATOM 749 CB PHE A 92 65.829 23.189 2.712 1.00 0.00 ATOM 750 CG PHE A 92 65.474 22.609 4.046 1.00 0.00 ATOM 751 CD1 PHE A 92 64.301 22.998 4.695 1.00 0.00 ATOM 752 CD2 PHE A 92 66.287 21.637 4.642 1.00 0.00 ATOM 753 CE1 PHE A 92 63.938 22.428 5.919 1.00 0.00 ATOM 754 CE2 PHE A 92 65.936 21.061 5.864 1.00 0.00 ATOM 755 CZ PHE A 92 64.761 21.449 6.511 1.00 0.00 ATOM 756 O PHE A 92 64.106 24.329 0.127 1.00 0.00 ATOM 757 C PHE A 92 65.052 23.578 0.387 1.00 0.00 ATOM 758 N ASP A 93 66.167 23.523 -0.346 1.00 0.00 ATOM 759 CA ASP A 93 66.348 24.339 -1.567 1.00 0.00 ATOM 760 CB ASP A 93 67.685 24.013 -2.234 1.00 0.00 ATOM 761 CG ASP A 93 68.870 24.564 -1.467 1.00 0.00 ATOM 762 OD1 ASP A 93 68.654 25.394 -0.557 1.00 0.00 ATOM 763 OD2 ASP A 93 70.014 24.167 -1.772 1.00 0.00 ATOM 764 O ASP A 93 64.631 25.005 -3.123 1.00 0.00 ATOM 765 C ASP A 93 65.203 24.076 -2.555 1.00 0.00 ATOM 766 N TYR A 94 64.858 22.800 -2.798 1.00 0.00 ATOM 767 CA TYR A 94 63.810 22.481 -3.750 1.00 0.00 ATOM 768 CB TYR A 94 63.791 21.003 -4.079 1.00 0.00 ATOM 769 CG TYR A 94 64.821 20.632 -5.111 1.00 0.00 ATOM 770 CD1 TYR A 94 66.161 20.542 -4.766 1.00 0.00 ATOM 771 CD2 TYR A 94 64.486 20.406 -6.420 1.00 0.00 ATOM 772 CE1 TYR A 94 67.128 20.279 -5.668 1.00 0.00 ATOM 773 CE2 TYR A 94 65.452 20.157 -7.362 1.00 0.00 ATOM 774 CZ TYR A 94 66.761 20.079 -6.986 1.00 0.00 ATOM 775 OH TYR A 94 67.706 19.809 -7.960 1.00 0.00 ATOM 776 O TYR A 94 61.694 23.581 -4.068 1.00 0.00 ATOM 777 C TYR A 94 62.476 23.039 -3.273 1.00 0.00 ATOM 778 N ILE A 95 62.195 22.915 -1.946 1.00 0.00 ATOM 779 CA ILE A 95 60.953 23.455 -1.387 1.00 0.00 ATOM 780 CB ILE A 95 60.872 23.211 0.131 1.00 0.00 ATOM 781 CG1 ILE A 95 60.718 21.717 0.424 1.00 0.00 ATOM 782 CG2 ILE A 95 59.680 23.945 0.726 1.00 0.00 ATOM 783 CD1 ILE A 95 60.895 21.359 1.883 1.00 0.00 ATOM 784 O ILE A 95 59.767 25.466 -2.012 1.00 0.00 ATOM 785 C ILE A 95 60.832 24.965 -1.618 1.00 0.00 ATOM 786 N ASP A 96 61.910 25.694 -1.353 1.00 0.00 ATOM 787 CA ASP A 96 61.929 27.131 -1.614 1.00 0.00 ATOM 788 CB ASP A 96 63.278 27.732 -1.215 1.00 0.00 ATOM 789 CG ASP A 96 63.302 29.243 -1.338 1.00 0.00 ATOM 790 OD1 ASP A 96 62.516 29.910 -0.634 1.00 0.00 ATOM 791 OD2 ASP A 96 64.109 29.761 -2.142 1.00 0.00 ATOM 792 O ASP A 96 60.952 28.349 -3.450 1.00 0.00 ATOM 793 C ASP A 96 61.689 27.427 -3.108 1.00 0.00 ATOM 794 N SER A 97 62.311 26.629 -3.977 1.00 0.00 ATOM 795 CA SER A 97 62.186 26.830 -5.419 1.00 0.00 ATOM 796 CB SER A 97 63.253 26.026 -6.163 1.00 0.00 ATOM 797 OG SER A 97 62.948 24.641 -6.156 1.00 0.00 ATOM 798 O SER A 97 60.442 26.776 -7.065 1.00 0.00 ATOM 799 C SER A 97 60.811 26.426 -5.944 1.00 0.00 ATOM 800 N LEU A 98 60.058 25.688 -5.138 1.00 0.00 ATOM 801 CA LEU A 98 58.734 25.235 -5.552 1.00 0.00 ATOM 802 CB LEU A 98 58.265 24.081 -4.659 1.00 0.00 ATOM 803 CG LEU A 98 59.129 22.820 -4.620 1.00 0.00 ATOM 804 CD1 LEU A 98 58.481 21.799 -3.697 1.00 0.00 ATOM 805 CD2 LEU A 98 59.291 22.246 -6.019 1.00 0.00 ATOM 806 O LEU A 98 56.774 26.353 -6.361 1.00 0.00 ATOM 807 C LEU A 98 57.680 26.339 -5.529 1.00 0.00 ATOM 808 N ARG A 99 57.803 27.264 -4.581 1.00 0.00 ATOM 809 CA ARG A 99 56.833 28.343 -4.445 1.00 0.00 ATOM 810 CB ARG A 99 57.173 29.206 -3.227 1.00 0.00 ATOM 811 CG ARG A 99 56.077 30.189 -2.857 1.00 0.00 ATOM 812 CD ARG A 99 56.392 30.881 -1.548 1.00 0.00 ATOM 813 NE ARG A 99 56.616 29.917 -0.474 1.00 0.00 ATOM 814 CZ ARG A 99 56.945 30.250 0.768 1.00 0.00 ATOM 815 NH1 ARG A 99 57.086 31.527 1.098 1.00 0.00 ATOM 816 NH2 ARG A 99 57.138 29.306 1.681 1.00 0.00 ATOM 817 O ARG A 99 55.570 29.435 -6.168 1.00 0.00 ATOM 818 C ARG A 99 56.683 29.233 -5.677 1.00 0.00 ATOM 819 N PRO A 100 57.793 29.779 -6.196 1.00 0.00 ATOM 820 CA PRO A 100 57.696 30.641 -7.377 1.00 0.00 ATOM 821 CB PRO A 100 59.140 31.097 -7.592 1.00 0.00 ATOM 822 CG PRO A 100 59.939 29.958 -7.040 1.00 0.00 ATOM 823 CD PRO A 100 59.196 29.626 -5.775 1.00 0.00 ATOM 824 O PRO A 100 56.458 30.552 -9.433 1.00 0.00 ATOM 825 C PRO A 100 57.113 29.929 -8.598 1.00 0.00 ATOM 826 N ASP A 101 55.299 29.536 -7.467 1.00 0.00 ATOM 827 CA ASP A 101 53.851 29.622 -7.252 1.00 0.00 ATOM 828 CB ASP A 101 53.153 30.108 -8.580 1.00 0.00 ATOM 829 CG ASP A 101 53.454 29.168 -9.724 1.00 0.00 ATOM 830 OD1 ASP A 101 54.085 28.105 -9.498 1.00 0.00 ATOM 831 OD2 ASP A 101 53.040 29.456 -10.884 1.00 0.00 ATOM 832 O ASP A 101 51.963 28.293 -6.621 1.00 0.00 ATOM 833 C ASP A 101 53.183 28.326 -6.805 1.00 0.00 ATOM 834 N TYR A 102 53.882 27.241 -6.625 1.00 0.00 ATOM 835 CA TYR A 102 53.297 25.989 -6.170 1.00 0.00 ATOM 836 CB TYR A 102 54.239 24.822 -6.476 1.00 0.00 ATOM 837 CG TYR A 102 54.313 24.464 -7.942 1.00 0.00 ATOM 838 CD1 TYR A 102 55.354 24.928 -8.737 1.00 0.00 ATOM 839 CD2 TYR A 102 53.342 23.661 -8.529 1.00 0.00 ATOM 840 CE1 TYR A 102 55.430 24.605 -10.078 1.00 0.00 ATOM 841 CE2 TYR A 102 53.403 23.328 -9.869 1.00 0.00 ATOM 842 CZ TYR A 102 54.458 23.807 -10.643 1.00 0.00 ATOM 843 OH TYR A 102 54.530 23.484 -11.978 1.00 0.00 ATOM 844 O TYR A 102 53.686 26.753 -3.932 1.00 0.00 ATOM 845 C TYR A 102 53.035 26.016 -4.672 1.00 0.00 ATOM 846 N ARG A 103 52.085 25.198 -4.225 1.00 0.00 ATOM 847 CA ARG A 103 51.781 25.091 -2.801 1.00 0.00 ATOM 848 CB ARG A 103 50.325 24.667 -2.587 1.00 0.00 ATOM 849 CG ARG A 103 49.307 25.730 -2.965 1.00 0.00 ATOM 850 CD ARG A 103 47.906 25.330 -2.532 1.00 0.00 ATOM 851 NE ARG A 103 46.901 26.292 -2.979 1.00 0.00 ATOM 852 CZ ARG A 103 46.628 27.432 -2.352 1.00 0.00 ATOM 853 NH1 ARG A 103 45.696 28.245 -2.831 1.00 0.00 ATOM 854 NH2 ARG A 103 47.285 27.755 -1.247 1.00 0.00 ATOM 855 O ARG A 103 52.843 22.935 -2.692 1.00 0.00 ATOM 856 C ARG A 103 52.697 24.041 -2.167 1.00 0.00 ATOM 857 N LEU A 104 53.336 24.404 -1.052 1.00 0.00 ATOM 858 CA LEU A 104 54.262 23.499 -0.362 1.00 0.00 ATOM 859 CB LEU A 104 55.690 24.042 -0.428 1.00 0.00 ATOM 860 CG LEU A 104 56.298 24.185 -1.824 1.00 0.00 ATOM 861 CD1 LEU A 104 57.637 24.903 -1.758 1.00 0.00 ATOM 862 CD2 LEU A 104 56.522 22.820 -2.456 1.00 0.00 ATOM 863 O LEU A 104 53.838 24.344 1.846 1.00 0.00 ATOM 864 C LEU A 104 53.860 23.357 1.105 1.00 0.00 ATOM 865 N PHE A 105 53.516 22.134 1.507 1.00 0.00 ATOM 866 CA PHE A 105 53.151 21.856 2.903 1.00 0.00 ATOM 867 CB PHE A 105 51.664 21.512 3.009 1.00 0.00 ATOM 868 CG PHE A 105 50.753 22.613 2.545 1.00 0.00 ATOM 869 CD1 PHE A 105 50.294 22.647 1.240 1.00 0.00 ATOM 870 CD2 PHE A 105 50.354 23.614 3.414 1.00 0.00 ATOM 871 CE1 PHE A 105 49.455 23.661 0.813 1.00 0.00 ATOM 872 CE2 PHE A 105 49.515 24.627 2.988 1.00 0.00 ATOM 873 CZ PHE A 105 49.067 24.652 1.694 1.00 0.00 ATOM 874 O PHE A 105 54.416 19.799 2.729 1.00 0.00 ATOM 875 C PHE A 105 53.918 20.655 3.475 1.00 0.00 ATOM 876 N LEU A 106 54.015 20.606 4.801 1.00 0.00 ATOM 877 CA LEU A 106 54.625 19.472 5.498 1.00 0.00 ATOM 878 CB LEU A 106 55.584 19.980 6.577 1.00 0.00 ATOM 879 CG LEU A 106 56.319 18.910 7.388 1.00 0.00 ATOM 880 CD1 LEU A 106 57.291 18.140 6.507 1.00 0.00 ATOM 881 CD2 LEU A 106 57.106 19.543 8.525 1.00 0.00 ATOM 882 O LEU A 106 52.558 19.186 6.666 1.00 0.00 ATOM 883 C LEU A 106 53.524 18.634 6.143 1.00 0.00 ATOM 884 N LEU A 107 53.686 17.316 6.150 1.00 0.00 ATOM 885 CA LEU A 107 52.717 16.447 6.823 1.00 0.00 ATOM 886 CB LEU A 107 51.868 15.694 5.797 1.00 0.00 ATOM 887 CG LEU A 107 50.820 14.731 6.359 1.00 0.00 ATOM 888 CD1 LEU A 107 49.787 15.484 7.185 1.00 0.00 ATOM 889 CD2 LEU A 107 50.095 14.009 5.235 1.00 0.00 ATOM 890 O LEU A 107 54.125 14.551 7.172 1.00 0.00 ATOM 891 C LEU A 107 53.459 15.439 7.689 1.00 0.00 ATOM 892 N SER A 108 53.355 15.583 9.004 1.00 0.00 ATOM 893 CA SER A 108 54.170 14.790 9.915 1.00 0.00 ATOM 894 CB SER A 108 55.229 15.664 10.588 1.00 0.00 ATOM 895 OG SER A 108 55.997 14.915 11.512 1.00 0.00 ATOM 896 O SER A 108 52.642 14.867 11.754 1.00 0.00 ATOM 897 C SER A 108 53.402 14.173 11.068 1.00 0.00 ATOM 898 N ASN A 109 53.696 12.856 11.349 1.00 0.00 ATOM 899 CA ASN A 109 53.125 12.204 12.514 1.00 0.00 ATOM 900 CB ASN A 109 53.064 10.687 12.322 1.00 0.00 ATOM 901 CG ASN A 109 52.021 10.268 11.306 1.00 0.00 ATOM 902 ND2 ASN A 109 52.280 9.167 10.611 1.00 0.00 ATOM 903 OD1 ASN A 109 50.992 10.928 11.150 1.00 0.00 ATOM 904 O ASN A 109 55.230 12.053 13.656 1.00 0.00 ATOM 905 C ASN A 109 54.111 12.587 13.608 1.00 0.00 ATOM 906 N THR A 110 53.742 13.538 14.451 1.00 0.00 ATOM 907 CA THR A 110 54.718 14.067 15.410 1.00 0.00 ATOM 908 CB THR A 110 54.580 15.592 15.570 1.00 0.00 ATOM 909 CG2 THR A 110 54.841 16.293 14.245 1.00 0.00 ATOM 910 OG1 THR A 110 53.254 15.913 16.009 1.00 0.00 ATOM 911 O THR A 110 53.456 13.308 17.308 1.00 0.00 ATOM 912 C THR A 110 54.572 13.469 16.817 1.00 0.00 ATOM 913 N ASN A 111 56.168 13.819 17.062 1.00 0.00 ATOM 914 CA ASN A 111 56.171 13.431 18.479 1.00 0.00 ATOM 915 CB ASN A 111 57.008 12.120 18.646 1.00 0.00 ATOM 916 CG ASN A 111 57.299 11.529 17.268 1.00 0.00 ATOM 917 ND2 ASN A 111 56.361 10.722 16.767 1.00 0.00 ATOM 918 OD1 ASN A 111 58.368 11.798 16.629 1.00 0.00 ATOM 919 O ASN A 111 57.307 14.225 20.459 1.00 0.00 ATOM 920 C ASN A 111 56.741 14.514 19.400 1.00 0.00 ATOM 921 N PRO A 112 56.576 15.770 18.994 1.00 0.00 ATOM 922 CA PRO A 112 56.987 16.902 19.835 1.00 0.00 ATOM 923 CB PRO A 112 56.538 18.132 19.045 1.00 0.00 ATOM 924 CG PRO A 112 55.427 17.638 18.182 1.00 0.00 ATOM 925 CD PRO A 112 55.779 16.222 17.821 1.00 0.00 ATOM 926 O PRO A 112 54.984 16.624 21.173 1.00 0.00 ATOM 927 C PRO A 112 56.171 16.920 21.140 1.00 0.00 ATOM 928 N TYR A 113 56.825 17.229 22.194 1.00 0.00 ATOM 929 CA TYR A 113 56.241 17.524 23.500 1.00 0.00 ATOM 930 CB TYR A 113 57.098 17.059 24.652 1.00 0.00 ATOM 931 CG TYR A 113 57.195 15.565 24.704 1.00 0.00 ATOM 932 CD1 TYR A 113 58.168 14.889 23.966 1.00 0.00 ATOM 933 CD2 TYR A 113 56.293 14.817 25.454 1.00 0.00 ATOM 934 CE1 TYR A 113 58.236 13.507 23.974 1.00 0.00 ATOM 935 CE2 TYR A 113 56.351 13.442 25.468 1.00 0.00 ATOM 936 CZ TYR A 113 57.324 12.791 24.725 1.00 0.00 ATOM 937 OH TYR A 113 57.374 11.421 24.730 1.00 0.00 ATOM 938 O TYR A 113 56.854 19.795 23.191 1.00 0.00 ATOM 939 C TYR A 113 56.122 18.997 23.764 1.00 0.00 ATOM 940 N VAL A 114 55.076 19.358 24.643 1.00 0.00 ATOM 941 CA VAL A 114 54.808 20.782 24.872 1.00 0.00 ATOM 942 CB VAL A 114 53.410 20.920 25.618 1.00 0.00 ATOM 943 CG1 VAL A 114 53.139 22.378 25.929 1.00 0.00 ATOM 944 CG2 VAL A 114 52.299 20.338 24.770 1.00 0.00 ATOM 945 O VAL A 114 56.224 22.607 25.513 1.00 0.00 ATOM 946 C VAL A 114 56.046 21.390 25.527 1.00 0.00 ATOM 947 N LEU A 115 56.930 20.537 26.041 1.00 0.00 ATOM 948 CA LEU A 115 58.138 20.990 26.715 1.00 0.00 ATOM 949 CB LEU A 115 58.734 19.809 27.510 1.00 0.00 ATOM 950 CG LEU A 115 57.876 19.183 28.607 1.00 0.00 ATOM 951 CD1 LEU A 115 58.669 18.104 29.333 1.00 0.00 ATOM 952 CD2 LEU A 115 57.384 20.231 29.607 1.00 0.00 ATOM 953 O LEU A 115 59.793 22.600 26.084 1.00 0.00 ATOM 954 C LEU A 115 59.113 21.631 25.736 1.00 0.00 ATOM 955 N ASP A 116 59.182 21.112 24.525 1.00 0.00 ATOM 956 CA ASP A 116 60.076 21.707 23.540 1.00 0.00 ATOM 957 CB ASP A 116 59.532 21.205 22.068 1.00 0.00 ATOM 958 CG ASP A 116 59.191 19.733 21.865 1.00 0.00 ATOM 959 OD1 ASP A 116 59.483 18.898 22.752 1.00 0.00 ATOM 960 OD2 ASP A 116 58.630 19.416 20.797 1.00 0.00 ATOM 961 O ASP A 116 60.404 24.020 23.042 1.00 0.00 ATOM 962 C ASP A 116 59.599 23.112 23.207 1.00 0.00 ATOM 963 N LEU A 117 58.302 23.319 23.138 1.00 0.00 ATOM 964 CA LEU A 117 57.700 24.611 22.795 1.00 0.00 ATOM 965 CB LEU A 117 56.174 24.495 22.653 1.00 0.00 ATOM 966 CG LEU A 117 55.681 23.803 21.370 1.00 0.00 ATOM 967 CD1 LEU A 117 54.168 23.625 21.382 1.00 0.00 ATOM 968 CD2 LEU A 117 56.120 24.613 20.162 1.00 0.00 ATOM 969 O LEU A 117 58.391 26.746 23.673 1.00 0.00 ATOM 970 C LEU A 117 57.954 25.622 23.910 1.00 0.00 ATOM 971 N ALA A 118 57.690 25.288 25.169 1.00 0.00 ATOM 972 CA ALA A 118 57.836 26.244 26.298 1.00 0.00 ATOM 973 CB ALA A 118 57.394 25.595 27.601 1.00 0.00 ATOM 974 O ALA A 118 59.533 27.882 26.703 1.00 0.00 ATOM 975 C ALA A 118 59.262 26.700 26.475 1.00 0.00 ATOM 976 N MET A 119 60.145 25.734 26.450 1.00 0.00 ATOM 977 CA MET A 119 61.610 26.004 26.605 1.00 0.00 ATOM 978 CB MET A 119 62.315 24.862 27.378 1.00 0.00 ATOM 979 CG MET A 119 61.586 24.662 28.674 1.00 0.00 ATOM 980 SD MET A 119 61.193 26.176 29.569 1.00 0.00 ATOM 981 CE MET A 119 63.298 22.178 27.995 1.00 0.00 ATOM 982 O MET A 119 63.248 26.888 25.173 1.00 0.00 ATOM 983 C MET A 119 62.291 26.143 25.286 1.00 0.00 ATOM 984 N SER A 120 61.786 25.366 24.339 1.00 0.00 ATOM 985 CA SER A 120 62.312 25.384 22.990 1.00 0.00 ATOM 986 CB SER A 120 63.590 24.547 22.938 1.00 0.00 ATOM 987 OG SER A 120 64.137 24.505 21.628 1.00 0.00 ATOM 988 O SER A 120 60.524 23.944 22.321 1.00 0.00 ATOM 989 C SER A 120 61.320 24.816 21.990 1.00 0.00 ATOM 990 N PRO A 121 61.309 25.358 20.769 1.00 0.00 ATOM 991 CA PRO A 121 60.400 24.866 19.730 1.00 0.00 ATOM 992 CB PRO A 121 60.335 26.044 18.759 1.00 0.00 ATOM 993 CG PRO A 121 61.721 26.622 18.849 1.00 0.00 ATOM 994 CD PRO A 121 61.995 26.589 20.334 1.00 0.00 ATOM 995 O PRO A 121 60.480 23.167 18.017 1.00 0.00 ATOM 996 C PRO A 121 61.046 23.688 18.978 1.00 0.00 ATOM 997 N ARG A 122 62.284 23.153 19.441 1.00 0.00 ATOM 998 CA ARG A 122 62.993 22.074 18.764 1.00 0.00 ATOM 999 CB ARG A 122 64.155 22.451 17.899 1.00 0.00 ATOM 1000 CG ARG A 122 63.661 23.124 16.597 1.00 0.00 ATOM 1001 CD ARG A 122 64.836 23.356 15.597 1.00 0.00 ATOM 1002 NE ARG A 122 65.431 22.071 15.241 1.00 0.00 ATOM 1003 CZ ARG A 122 66.593 21.915 14.611 1.00 0.00 ATOM 1004 NH1 ARG A 122 67.295 22.983 14.261 1.00 0.00 ATOM 1005 NH2 ARG A 122 67.041 20.693 14.330 1.00 0.00 ATOM 1006 O ARG A 122 63.362 20.008 19.943 1.00 0.00 ATOM 1007 C ARG A 122 62.582 20.697 19.281 1.00 0.00 ATOM 1008 N PHE A 123 61.219 20.653 18.891 1.00 0.00 ATOM 1009 CA PHE A 123 61.160 19.554 17.921 1.00 0.00 ATOM 1010 CB PHE A 123 59.870 18.731 18.166 1.00 0.00 ATOM 1011 CG PHE A 123 59.978 17.270 17.812 1.00 0.00 ATOM 1012 CD1 PHE A 123 60.709 16.398 18.631 1.00 0.00 ATOM 1013 CD2 PHE A 123 59.353 16.762 16.667 1.00 0.00 ATOM 1014 CE1 PHE A 123 60.817 15.040 18.317 1.00 0.00 ATOM 1015 CE2 PHE A 123 59.452 15.408 16.344 1.00 0.00 ATOM 1016 CZ PHE A 123 60.183 14.544 17.165 1.00 0.00 ATOM 1017 O PHE A 123 61.007 21.279 16.249 1.00 0.00 ATOM 1018 C PHE A 123 61.324 20.098 16.489 1.00 0.00 ATOM 1019 N LEU A 124 61.824 19.270 15.539 1.00 0.00 ATOM 1020 CA LEU A 124 62.098 19.743 14.155 1.00 0.00 ATOM 1021 CB LEU A 124 62.317 18.554 13.217 1.00 0.00 ATOM 1022 CG LEU A 124 62.626 18.893 11.756 1.00 0.00 ATOM 1023 CD1 LEU A 124 63.930 19.667 11.648 1.00 0.00 ATOM 1024 CD2 LEU A 124 62.756 17.624 10.927 1.00 0.00 ATOM 1025 O LEU A 124 61.371 21.554 12.812 1.00 0.00 ATOM 1026 C LEU A 124 61.026 20.580 13.476 1.00 0.00 ATOM 1027 N PRO A 125 59.748 20.231 13.619 1.00 0.00 ATOM 1028 CA PRO A 125 58.685 21.014 12.975 1.00 0.00 ATOM 1029 CB PRO A 125 57.401 20.273 13.350 1.00 0.00 ATOM 1030 CG PRO A 125 57.843 18.876 13.630 1.00 0.00 ATOM 1031 CD PRO A 125 59.203 18.989 14.262 1.00 0.00 ATOM 1032 O PRO A 125 58.202 23.319 12.716 1.00 0.00 ATOM 1033 C PRO A 125 58.689 22.456 13.432 1.00 0.00 ATOM 1034 N SER A 126 59.201 22.842 14.703 1.00 0.00 ATOM 1035 CA SER A 126 59.239 24.195 15.259 1.00 0.00 ATOM 1036 CB SER A 126 58.759 24.072 16.791 1.00 0.00 ATOM 1037 OG SER A 126 57.540 23.372 16.939 1.00 0.00 ATOM 1038 O SER A 126 60.635 26.139 15.164 1.00 0.00 ATOM 1039 C SER A 126 60.489 24.951 14.840 1.00 0.00 ATOM 1040 N GLY A 127 61.394 24.270 14.144 1.00 0.00 ATOM 1041 CA GLY A 127 62.646 24.880 13.726 1.00 0.00 ATOM 1042 O GLY A 127 61.428 25.786 11.875 1.00 0.00 ATOM 1043 C GLY A 127 62.280 25.983 12.747 1.00 0.00 ATOM 1044 N ARG A 128 62.901 27.141 12.894 1.00 0.00 ATOM 1045 CA ARG A 128 62.627 28.266 12.001 1.00 0.00 ATOM 1046 CB ARG A 128 63.458 29.490 12.392 1.00 0.00 ATOM 1047 CG ARG A 128 63.025 30.143 13.696 1.00 0.00 ATOM 1048 CD ARG A 128 63.936 31.303 14.060 1.00 0.00 ATOM 1049 NE ARG A 128 63.551 31.925 15.324 1.00 0.00 ATOM 1050 CZ ARG A 128 64.224 32.913 15.907 1.00 0.00 ATOM 1051 NH1 ARG A 128 63.798 33.415 17.058 1.00 0.00 ATOM 1052 NH2 ARG A 128 65.321 33.394 15.338 1.00 0.00 ATOM 1053 O ARG A 128 62.176 28.281 9.639 1.00 0.00 ATOM 1054 C ARG A 128 62.929 27.910 10.543 1.00 0.00 ATOM 1055 N THR A 129 64.062 27.151 10.271 1.00 0.00 ATOM 1056 CA THR A 129 64.449 26.781 8.910 1.00 0.00 ATOM 1057 CB THR A 129 65.682 25.858 8.904 1.00 0.00 ATOM 1058 CG2 THR A 129 66.025 25.435 7.484 1.00 0.00 ATOM 1059 OG1 THR A 129 66.804 26.551 9.466 1.00 0.00 ATOM 1060 O THR A 129 62.892 26.383 7.104 1.00 0.00 ATOM 1061 C THR A 129 63.278 26.057 8.232 1.00 0.00 ATOM 1062 N LEU A 130 62.654 25.144 8.946 1.00 0.00 ATOM 1063 CA LEU A 130 61.520 24.401 8.412 1.00 0.00 ATOM 1064 CB LEU A 130 61.211 23.193 9.298 1.00 0.00 ATOM 1065 CG LEU A 130 60.137 22.232 8.784 1.00 0.00 ATOM 1066 CD1 LEU A 130 60.541 21.642 7.442 1.00 0.00 ATOM 1067 CD2 LEU A 130 59.928 21.087 9.763 1.00 0.00 ATOM 1068 O LEU A 130 59.585 25.258 7.272 1.00 0.00 ATOM 1069 C LEU A 130 60.264 25.265 8.301 1.00 0.00 ATOM 1070 N ASP A 131 59.966 26.024 9.349 1.00 0.00 ATOM 1071 CA ASP A 131 58.817 26.927 9.339 1.00 0.00 ATOM 1072 CB ASP A 131 58.731 27.698 10.658 1.00 0.00 ATOM 1073 CG ASP A 131 58.274 26.829 11.813 1.00 0.00 ATOM 1074 OD1 ASP A 131 57.801 25.702 11.556 1.00 0.00 ATOM 1075 OD2 ASP A 131 58.391 27.274 12.974 1.00 0.00 ATOM 1076 O ASP A 131 57.884 28.303 7.613 1.00 0.00 ATOM 1077 C ASP A 131 58.904 27.955 8.203 1.00 0.00 ATOM 1078 N SER A 132 60.121 28.420 7.899 1.00 0.00 ATOM 1079 CA SER A 132 60.377 29.375 6.808 1.00 0.00 ATOM 1080 CB SER A 132 61.725 30.141 7.148 1.00 0.00 ATOM 1081 OG SER A 132 62.882 29.396 6.812 1.00 0.00 ATOM 1082 O SER A 132 59.961 29.471 4.448 1.00 0.00 ATOM 1083 C SER A 132 60.227 28.760 5.418 1.00 0.00 ATOM 1084 N PHE A 133 60.385 27.460 5.280 1.00 0.00 ATOM 1085 CA PHE A 133 60.273 26.799 3.980 1.00 0.00 ATOM 1086 CB PHE A 133 61.607 25.874 3.902 1.00 0.00 ATOM 1087 CG PHE A 133 62.869 26.568 3.568 1.00 0.00 ATOM 1088 CD1 PHE A 133 63.270 27.705 4.261 1.00 0.00 ATOM 1089 CD2 PHE A 133 63.650 26.122 2.516 1.00 0.00 ATOM 1090 CE1 PHE A 133 64.425 28.388 3.906 1.00 0.00 ATOM 1091 CE2 PHE A 133 64.805 26.804 2.158 1.00 0.00 ATOM 1092 CZ PHE A 133 65.195 27.927 2.837 1.00 0.00 ATOM 1093 O PHE A 133 58.724 25.803 2.464 1.00 0.00 ATOM 1094 C PHE A 133 58.895 26.277 3.587 1.00 0.00 ATOM 1095 N PHE A 134 57.926 26.344 4.496 1.00 0.00 ATOM 1096 CA PHE A 134 56.601 25.770 4.234 1.00 0.00 ATOM 1097 CB PHE A 134 56.308 24.632 5.213 1.00 0.00 ATOM 1098 CG PHE A 134 57.231 23.456 5.071 1.00 0.00 ATOM 1099 CD1 PHE A 134 58.387 23.371 5.828 1.00 0.00 ATOM 1100 CD2 PHE A 134 56.946 22.437 4.180 1.00 0.00 ATOM 1101 CE1 PHE A 134 59.237 22.289 5.697 1.00 0.00 ATOM 1102 CE2 PHE A 134 57.797 21.357 4.049 1.00 0.00 ATOM 1103 CZ PHE A 134 58.938 21.279 4.803 1.00 0.00 ATOM 1104 O PHE A 134 55.531 27.661 5.234 1.00 0.00 ATOM 1105 C PHE A 134 55.479 26.786 4.376 1.00 0.00 ATOM 1106 N ASP A 135 54.458 26.640 3.535 1.00 0.00 ATOM 1107 CA ASP A 135 53.217 27.409 3.648 1.00 0.00 ATOM 1108 CB ASP A 135 52.325 27.170 2.428 1.00 0.00 ATOM 1109 CG ASP A 135 52.851 27.852 1.180 1.00 0.00 ATOM 1110 OD1 ASP A 135 53.756 28.704 1.305 1.00 0.00 ATOM 1111 OD2 ASP A 135 52.357 27.536 0.077 1.00 0.00 ATOM 1112 O ASP A 135 51.753 27.885 5.509 1.00 0.00 ATOM 1113 C ASP A 135 52.401 27.033 4.886 1.00 0.00 ATOM 1114 N LYS A 136 52.427 25.745 5.225 1.00 0.00 ATOM 1115 CA LYS A 136 51.726 25.238 6.386 1.00 0.00 ATOM 1116 CB LYS A 136 50.266 24.936 6.042 1.00 0.00 ATOM 1117 CG LYS A 136 49.416 24.540 7.237 1.00 0.00 ATOM 1118 CD LYS A 136 47.965 24.327 6.837 1.00 0.00 ATOM 1119 CE LYS A 136 47.098 24.014 8.045 1.00 0.00 ATOM 1120 NZ LYS A 136 45.680 23.769 7.664 1.00 0.00 ATOM 1121 O LYS A 136 52.874 23.144 6.067 1.00 0.00 ATOM 1122 C LYS A 136 52.360 23.925 6.868 1.00 0.00 ATOM 1123 N VAL A 137 52.353 23.728 8.154 1.00 0.00 ATOM 1124 CA VAL A 137 52.890 22.504 8.731 1.00 0.00 ATOM 1125 CB VAL A 137 53.964 22.787 9.797 1.00 0.00 ATOM 1126 CG1 VAL A 137 54.482 21.486 10.391 1.00 0.00 ATOM 1127 CG2 VAL A 137 55.137 23.538 9.186 1.00 0.00 ATOM 1128 O VAL A 137 51.077 22.314 10.274 1.00 0.00 ATOM 1129 C VAL A 137 51.710 21.793 9.346 1.00 0.00 ATOM 1130 N TYR A 138 51.389 20.598 8.801 1.00 0.00 ATOM 1131 CA TYR A 138 50.339 19.725 9.304 1.00 0.00 ATOM 1132 CB TYR A 138 49.627 19.010 8.153 1.00 0.00 ATOM 1133 CG TYR A 138 48.778 19.922 7.297 1.00 0.00 ATOM 1134 CD1 TYR A 138 49.291 20.492 6.140 1.00 0.00 ATOM 1135 CD2 TYR A 138 47.466 20.210 7.650 1.00 0.00 ATOM 1136 CE1 TYR A 138 48.522 21.328 5.351 1.00 0.00 ATOM 1137 CE2 TYR A 138 46.682 21.043 6.873 1.00 0.00 ATOM 1138 CZ TYR A 138 47.223 21.602 5.716 1.00 0.00 ATOM 1139 OH TYR A 138 46.454 22.433 4.932 1.00 0.00 ATOM 1140 O TYR A 138 51.800 17.912 9.868 1.00 0.00 ATOM 1141 C TYR A 138 50.937 18.701 10.266 1.00 0.00 ATOM 1142 N ALA A 139 50.493 18.746 11.504 1.00 0.00 ATOM 1143 CA ALA A 139 50.985 17.794 12.501 1.00 0.00 ATOM 1144 CB ALA A 139 51.552 18.583 13.672 1.00 0.00 ATOM 1145 O ALA A 139 48.755 17.357 13.268 1.00 0.00 ATOM 1146 C ALA A 139 49.872 16.895 13.017 1.00 0.00 ATOM 1147 N SER A 140 50.194 15.658 13.101 1.00 0.00 ATOM 1148 CA SER A 140 49.225 14.677 13.565 1.00 0.00 ATOM 1149 CB SER A 140 49.894 13.315 13.764 1.00 0.00 ATOM 1150 OG SER A 140 50.346 12.784 12.531 1.00 0.00 ATOM 1151 O SER A 140 47.375 14.952 15.109 1.00 0.00 ATOM 1152 C SER A 140 48.598 15.094 14.903 1.00 0.00 ATOM 1153 N CYS A 141 49.431 15.612 15.807 1.00 0.00 ATOM 1154 CA CYS A 141 48.974 16.021 17.146 1.00 0.00 ATOM 1155 CB CYS A 141 50.160 16.464 18.006 1.00 0.00 ATOM 1156 SG CYS A 141 51.298 15.132 18.451 1.00 0.00 ATOM 1157 O CYS A 141 46.908 17.053 17.735 1.00 0.00 ATOM 1158 C CYS A 141 47.926 17.099 17.013 1.00 0.00 ATOM 1159 N GLN A 142 48.157 18.118 16.164 1.00 0.00 ATOM 1160 CA GLN A 142 47.162 19.198 15.999 1.00 0.00 ATOM 1161 CB GLN A 142 47.752 20.293 15.108 1.00 0.00 ATOM 1162 CG GLN A 142 48.934 21.024 15.723 1.00 0.00 ATOM 1163 CD GLN A 142 49.537 22.051 14.784 1.00 0.00 ATOM 1164 OE1 GLN A 142 49.101 22.192 13.642 1.00 0.00 ATOM 1165 NE2 GLN A 142 50.542 22.772 15.267 1.00 0.00 ATOM 1166 O GLN A 142 44.802 19.371 15.628 1.00 0.00 ATOM 1167 C GLN A 142 45.845 18.759 15.373 1.00 0.00 ATOM 1168 N MET A 143 45.895 17.706 14.556 1.00 0.00 ATOM 1169 CA MET A 143 44.748 17.266 13.769 1.00 0.00 ATOM 1170 CB MET A 143 45.206 16.710 12.418 1.00 0.00 ATOM 1171 CG MET A 143 45.900 17.730 11.531 1.00 0.00 ATOM 1172 SD MET A 143 44.864 19.162 11.175 1.00 0.00 ATOM 1173 CE MET A 143 43.595 18.416 10.155 1.00 0.00 ATOM 1174 O MET A 143 42.733 16.003 14.140 1.00 0.00 ATOM 1175 C MET A 143 43.918 16.163 14.435 1.00 0.00 ATOM 1176 N GLY A 144 44.539 15.408 15.337 1.00 0.00 ATOM 1177 CA GLY A 144 43.879 14.261 15.958 1.00 0.00 ATOM 1178 O GLY A 144 42.988 12.197 15.141 1.00 0.00 ATOM 1179 C GLY A 144 43.826 13.092 14.998 1.00 0.00 ATOM 1180 N LYS A 145 44.733 13.106 14.016 1.00 0.00 ATOM 1181 CA LYS A 145 44.784 12.098 12.938 1.00 0.00 ATOM 1182 CB LYS A 145 44.153 12.651 11.659 1.00 0.00 ATOM 1183 CG LYS A 145 42.666 12.939 11.774 1.00 0.00 ATOM 1184 CD LYS A 145 42.102 13.465 10.465 1.00 0.00 ATOM 1185 CE LYS A 145 40.614 13.753 10.579 1.00 0.00 ATOM 1186 NZ LYS A 145 40.038 14.227 9.292 1.00 0.00 ATOM 1187 O LYS A 145 47.118 12.696 12.899 1.00 0.00 ATOM 1188 C LYS A 145 46.261 11.846 12.646 1.00 0.00 ATOM 1189 N TYR A 146 46.557 10.663 12.063 1.00 0.00 ATOM 1190 CA TYR A 146 47.915 10.284 11.685 1.00 0.00 ATOM 1191 CB TYR A 146 48.529 9.373 12.749 1.00 0.00 ATOM 1192 CG TYR A 146 47.844 8.031 12.875 1.00 0.00 ATOM 1193 CD1 TYR A 146 48.288 6.935 12.145 1.00 0.00 ATOM 1194 CD2 TYR A 146 46.757 7.862 13.724 1.00 0.00 ATOM 1195 CE1 TYR A 146 47.669 5.705 12.252 1.00 0.00 ATOM 1196 CE2 TYR A 146 46.126 6.640 13.845 1.00 0.00 ATOM 1197 CZ TYR A 146 46.591 5.557 13.100 1.00 0.00 ATOM 1198 OH TYR A 146 45.973 4.332 13.210 1.00 0.00 ATOM 1199 O TYR A 146 47.021 8.838 10.013 1.00 0.00 ATOM 1200 C TYR A 146 47.959 9.568 10.352 1.00 0.00 ATOM 1201 N LYS A 147 49.038 9.766 9.594 1.00 0.00 ATOM 1202 CA LYS A 147 49.295 8.911 8.438 1.00 0.00 ATOM 1203 CB LYS A 147 50.729 9.089 8.034 1.00 0.00 ATOM 1204 CG LYS A 147 51.272 10.513 8.023 1.00 0.00 ATOM 1205 CD LYS A 147 52.526 10.533 7.156 1.00 0.00 ATOM 1206 CE LYS A 147 52.943 11.910 6.666 1.00 0.00 ATOM 1207 NZ LYS A 147 54.366 11.946 6.260 1.00 0.00 ATOM 1208 O LYS A 147 49.792 7.399 10.158 1.00 0.00 ATOM 1209 C LYS A 147 49.382 7.491 8.994 1.00 0.00 ATOM 1210 N PRO A 148 48.969 6.364 8.274 1.00 0.00 ATOM 1211 CA PRO A 148 48.449 6.501 6.918 1.00 0.00 ATOM 1212 CB PRO A 148 48.834 5.193 6.226 1.00 0.00 ATOM 1213 CG PRO A 148 48.899 4.205 7.327 1.00 0.00 ATOM 1214 CD PRO A 148 49.091 4.939 8.627 1.00 0.00 ATOM 1215 O PRO A 148 46.471 5.874 5.808 1.00 0.00 ATOM 1216 C PRO A 148 46.950 6.580 6.735 1.00 0.00 ATOM 1217 N ASN A 149 46.220 7.383 7.761 1.00 0.00 ATOM 1218 CA ASN A 149 44.776 7.319 7.742 1.00 0.00 ATOM 1219 CB ASN A 149 44.282 7.935 9.053 1.00 0.00 ATOM 1220 CG ASN A 149 44.422 6.992 10.231 1.00 0.00 ATOM 1221 ND2 ASN A 149 44.398 7.545 11.437 1.00 0.00 ATOM 1222 OD1 ASN A 149 44.552 5.781 10.056 1.00 0.00 ATOM 1223 O ASN A 149 44.814 9.276 6.348 1.00 0.00 ATOM 1224 C ASN A 149 44.279 8.194 6.600 1.00 0.00 ATOM 1225 N GLU A 150 43.278 7.694 5.864 1.00 0.00 ATOM 1226 CA GLU A 150 42.716 8.419 4.733 1.00 0.00 ATOM 1227 CB GLU A 150 41.472 7.692 4.217 1.00 0.00 ATOM 1228 CG GLU A 150 41.772 6.399 3.477 1.00 0.00 ATOM 1229 CD GLU A 150 40.515 5.668 3.048 1.00 0.00 ATOM 1230 OE1 GLU A 150 39.409 6.131 3.399 1.00 0.00 ATOM 1231 OE2 GLU A 150 40.635 4.631 2.360 1.00 0.00 ATOM 1232 O GLU A 150 42.518 10.783 4.381 1.00 0.00 ATOM 1233 C GLU A 150 42.314 9.819 5.135 1.00 0.00 ATOM 1234 N ASP A 151 41.736 9.925 6.325 1.00 0.00 ATOM 1235 CA ASP A 151 41.237 11.196 6.811 1.00 0.00 ATOM 1236 CB ASP A 151 40.673 11.045 8.226 1.00 0.00 ATOM 1237 CG ASP A 151 39.349 10.309 8.249 1.00 0.00 ATOM 1238 OD1 ASP A 151 38.754 10.121 7.166 1.00 0.00 ATOM 1239 OD2 ASP A 151 38.905 9.920 9.349 1.00 0.00 ATOM 1240 O ASP A 151 41.985 13.437 6.432 1.00 0.00 ATOM 1241 C ASP A 151 42.280 12.313 6.835 1.00 0.00 ATOM 1242 N ILE A 152 43.531 12.025 7.262 1.00 0.00 ATOM 1243 CA ILE A 152 44.592 13.030 7.309 1.00 0.00 ATOM 1244 CB ILE A 152 45.885 12.539 7.881 1.00 0.00 ATOM 1245 CG1 ILE A 152 46.830 13.709 8.159 1.00 0.00 ATOM 1246 CG2 ILE A 152 46.561 11.444 7.013 1.00 0.00 ATOM 1247 CD1 ILE A 152 46.291 14.730 9.159 1.00 0.00 ATOM 1248 O ILE A 152 45.007 14.861 5.804 1.00 0.00 ATOM 1249 C ILE A 152 44.920 13.635 5.944 1.00 0.00 ATOM 1250 N PHE A 153 45.037 12.775 4.933 1.00 0.00 ATOM 1251 CA PHE A 153 45.276 13.231 3.569 1.00 0.00 ATOM 1252 CB PHE A 153 45.286 12.075 2.619 1.00 0.00 ATOM 1253 CG PHE A 153 46.468 11.177 2.845 1.00 0.00 ATOM 1254 CD1 PHE A 153 47.741 11.678 3.118 1.00 0.00 ATOM 1255 CD2 PHE A 153 46.305 9.795 2.773 1.00 0.00 ATOM 1256 CE1 PHE A 153 48.828 10.821 3.311 1.00 0.00 ATOM 1257 CE2 PHE A 153 47.380 8.925 2.965 1.00 0.00 ATOM 1258 CZ PHE A 153 48.651 9.437 3.241 1.00 0.00 ATOM 1259 O PHE A 153 44.313 15.161 2.547 1.00 0.00 ATOM 1260 C PHE A 153 44.109 14.071 3.081 1.00 0.00 ATOM 1261 N LEU A 154 42.887 13.569 3.285 1.00 0.00 ATOM 1262 CA LEU A 154 41.660 14.297 2.918 1.00 0.00 ATOM 1263 CB LEU A 154 40.421 13.512 3.353 1.00 0.00 ATOM 1264 CG LEU A 154 40.137 12.215 2.594 1.00 0.00 ATOM 1265 CD1 LEU A 154 38.993 11.451 3.242 1.00 0.00 ATOM 1266 CD2 LEU A 154 39.754 12.511 1.152 1.00 0.00 ATOM 1267 O LEU A 154 41.280 16.677 2.953 1.00 0.00 ATOM 1268 C LEU A 154 41.620 15.669 3.591 1.00 0.00 ATOM 1269 N GLU A 155 41.968 15.714 4.879 1.00 0.00 ATOM 1270 CA GLU A 155 42.008 16.986 5.597 1.00 0.00 ATOM 1271 CB GLU A 155 42.522 16.780 7.024 1.00 0.00 ATOM 1272 CG GLU A 155 41.530 16.095 7.949 1.00 0.00 ATOM 1273 CD GLU A 155 40.243 16.881 8.107 1.00 0.00 ATOM 1274 OE1 GLU A 155 40.317 18.080 8.448 1.00 0.00 ATOM 1275 OE2 GLU A 155 39.160 16.297 7.892 1.00 0.00 ATOM 1276 O GLU A 155 42.549 19.166 4.733 1.00 0.00 ATOM 1277 C GLU A 155 42.930 18.001 4.908 1.00 0.00 ATOM 1278 N MET A 156 44.120 17.553 4.506 1.00 0.00 ATOM 1279 CA MET A 156 45.086 18.425 3.822 1.00 0.00 ATOM 1280 CB MET A 156 46.395 17.677 3.566 1.00 0.00 ATOM 1281 CG MET A 156 47.452 18.502 2.848 1.00 0.00 ATOM 1282 SD MET A 156 47.208 18.546 1.062 1.00 0.00 ATOM 1283 CE MET A 156 47.668 16.873 0.617 1.00 0.00 ATOM 1284 O MET A 156 44.566 20.104 2.182 1.00 0.00 ATOM 1285 C MET A 156 44.536 18.906 2.468 1.00 0.00 ATOM 1286 N ILE A 157 44.057 17.972 1.648 1.00 0.00 ATOM 1287 CA ILE A 157 43.464 18.303 0.345 1.00 0.00 ATOM 1288 CB ILE A 157 42.864 17.031 -0.290 1.00 0.00 ATOM 1289 CG1 ILE A 157 44.017 16.119 -0.753 1.00 0.00 ATOM 1290 CG2 ILE A 157 41.973 17.425 -1.467 1.00 0.00 ATOM 1291 CD1 ILE A 157 43.550 14.740 -1.169 1.00 0.00 ATOM 1292 O ILE A 157 42.346 20.321 -0.303 1.00 0.00 ATOM 1293 C ILE A 157 42.355 19.355 0.456 1.00 0.00 ATOM 1294 N ALA A 158 41.459 19.182 1.427 1.00 0.00 ATOM 1295 CA ALA A 158 40.361 20.126 1.665 1.00 0.00 ATOM 1296 CB ALA A 158 39.418 19.584 2.730 1.00 0.00 ATOM 1297 O ALA A 158 40.380 22.525 1.673 1.00 0.00 ATOM 1298 C ALA A 158 40.853 21.487 2.144 1.00 0.00 ATOM 1299 N ASP A 159 41.792 21.482 3.089 1.00 0.00 ATOM 1300 CA ASP A 159 42.292 22.723 3.682 1.00 0.00 ATOM 1301 CB ASP A 159 43.260 22.417 4.827 1.00 0.00 ATOM 1302 CG ASP A 159 42.554 21.895 6.064 1.00 0.00 ATOM 1303 OD1 ASP A 159 41.312 22.000 6.127 1.00 0.00 ATOM 1304 OD2 ASP A 159 43.244 21.381 6.969 1.00 0.00 ATOM 1305 O ASP A 159 42.896 24.793 2.635 1.00 0.00 ATOM 1306 C ASP A 159 43.032 23.568 2.654 1.00 0.00 ATOM 1307 N SER A 160 43.803 22.897 1.801 1.00 0.00 ATOM 1308 CA SER A 160 44.610 23.554 0.775 1.00 0.00 ATOM 1309 CB SER A 160 45.800 22.676 0.384 1.00 0.00 ATOM 1310 OG SER A 160 45.367 21.491 -0.263 1.00 0.00 ATOM 1311 O SER A 160 44.188 24.709 -1.292 1.00 0.00 ATOM 1312 C SER A 160 43.809 23.840 -0.503 1.00 0.00 ATOM 1313 N GLY A 161 42.728 23.088 -0.708 1.00 0.00 ATOM 1314 CA GLY A 161 41.853 23.257 -1.874 1.00 0.00 ATOM 1315 O GLY A 161 42.457 23.363 -4.185 1.00 0.00 ATOM 1316 C GLY A 161 42.444 22.692 -3.152 1.00 0.00 ATOM 1317 N MET A 162 42.945 21.463 -3.083 1.00 0.00 ATOM 1318 CA MET A 162 43.555 20.804 -4.232 1.00 0.00 ATOM 1319 CB MET A 162 45.063 20.648 -4.022 1.00 0.00 ATOM 1320 CG MET A 162 45.818 21.966 -3.947 1.00 0.00 ATOM 1321 SD MET A 162 45.807 22.863 -5.510 1.00 0.00 ATOM 1322 CE MET A 162 46.879 21.829 -6.503 1.00 0.00 ATOM 1323 O MET A 162 42.890 18.640 -3.442 1.00 0.00 ATOM 1324 C MET A 162 43.022 19.393 -4.405 1.00 0.00 ATOM 1325 N LYS A 163 42.725 19.040 -5.651 1.00 0.00 ATOM 1326 CA LYS A 163 42.237 17.709 -5.955 1.00 0.00 ATOM 1327 CB LYS A 163 41.662 17.641 -7.371 1.00 0.00 ATOM 1328 CG LYS A 163 40.380 18.437 -7.558 1.00 0.00 ATOM 1329 CD LYS A 163 39.880 18.348 -8.992 1.00 0.00 ATOM 1330 CE LYS A 163 38.586 19.123 -9.172 1.00 0.00 ATOM 1331 NZ LYS A 163 38.096 19.067 -10.578 1.00 0.00 ATOM 1332 O LYS A 163 44.541 17.126 -6.107 1.00 0.00 ATOM 1333 C LYS A 163 43.398 16.732 -5.940 1.00 0.00 ATOM 1334 N PRO A 164 43.133 15.439 -5.681 1.00 0.00 ATOM 1335 CA PRO A 164 44.219 14.454 -5.570 1.00 0.00 ATOM 1336 CB PRO A 164 43.468 13.132 -5.465 1.00 0.00 ATOM 1337 CG PRO A 164 42.198 13.529 -4.766 1.00 0.00 ATOM 1338 CD PRO A 164 41.814 14.832 -5.411 1.00 0.00 ATOM 1339 O PRO A 164 46.356 14.205 -6.635 1.00 0.00 ATOM 1340 C PRO A 164 45.151 14.426 -6.780 1.00 0.00 ATOM 1341 N GLU A 165 44.621 14.653 -7.999 1.00 0.00 ATOM 1342 CA GLU A 165 45.436 14.647 -9.207 1.00 0.00 ATOM 1343 CB GLU A 165 44.552 14.645 -10.454 1.00 0.00 ATOM 1344 CG GLU A 165 43.761 13.362 -10.653 1.00 0.00 ATOM 1345 CD GLU A 165 42.841 13.424 -11.856 1.00 0.00 ATOM 1346 OE1 GLU A 165 42.792 14.485 -12.512 1.00 0.00 ATOM 1347 OE2 GLU A 165 42.169 12.410 -12.143 1.00 0.00 ATOM 1348 O GLU A 165 47.463 15.742 -9.859 1.00 0.00 ATOM 1349 C GLU A 165 46.402 15.826 -9.235 1.00 0.00 ATOM 1350 N GLU A 166 46.058 16.929 -8.563 1.00 0.00 ATOM 1351 CA GLU A 166 46.922 18.108 -8.532 1.00 0.00 ATOM 1352 CB GLU A 166 46.089 19.375 -8.482 1.00 0.00 ATOM 1353 CG GLU A 166 45.319 19.600 -9.769 1.00 0.00 ATOM 1354 CD GLU A 166 46.212 19.962 -10.942 1.00 0.00 ATOM 1355 OE1 GLU A 166 47.405 20.279 -10.732 1.00 0.00 ATOM 1356 OE2 GLU A 166 45.704 19.935 -12.082 1.00 0.00 ATOM 1357 O GLU A 166 48.541 19.070 -7.014 1.00 0.00 ATOM 1358 C GLU A 166 47.902 18.059 -7.347 1.00 0.00 ATOM 1359 N THR A 167 48.021 16.883 -6.731 1.00 0.00 ATOM 1360 CA THR A 167 48.801 16.713 -5.506 1.00 0.00 ATOM 1361 CB THR A 167 47.918 16.249 -4.334 1.00 0.00 ATOM 1362 CG2 THR A 167 48.750 16.087 -3.071 1.00 0.00 ATOM 1363 OG1 THR A 167 46.892 17.220 -4.092 1.00 0.00 ATOM 1364 O THR A 167 49.700 14.623 -6.264 1.00 0.00 ATOM 1365 C THR A 167 49.905 15.679 -5.667 1.00 0.00 ATOM 1366 N LEU A 168 51.082 16.005 -5.129 1.00 0.00 ATOM 1367 CA LEU A 168 52.232 15.112 -5.130 1.00 0.00 ATOM 1368 CB LEU A 168 53.353 15.684 -6.002 1.00 0.00 ATOM 1369 CG LEU A 168 53.043 15.836 -7.491 1.00 0.00 ATOM 1370 CD1 LEU A 168 54.166 16.577 -8.202 1.00 0.00 ATOM 1371 CD2 LEU A 168 52.882 14.473 -8.148 1.00 0.00 ATOM 1372 O LEU A 168 52.647 15.944 -2.904 1.00 0.00 ATOM 1373 C LEU A 168 52.668 14.981 -3.673 1.00 0.00 ATOM 1374 N PHE A 169 52.942 13.735 -3.238 1.00 0.00 ATOM 1375 CA PHE A 169 53.235 13.434 -1.843 1.00 0.00 ATOM 1376 CB PHE A 169 52.073 12.679 -1.193 1.00 0.00 ATOM 1377 CG PHE A 169 52.300 12.347 0.256 1.00 0.00 ATOM 1378 CD1 PHE A 169 52.170 13.320 1.231 1.00 0.00 ATOM 1379 CD2 PHE A 169 52.645 11.065 0.640 1.00 0.00 ATOM 1380 CE1 PHE A 169 52.378 13.015 2.563 1.00 0.00 ATOM 1381 CE2 PHE A 169 52.854 10.759 1.973 1.00 0.00 ATOM 1382 CZ PHE A 169 52.722 11.729 2.931 1.00 0.00 ATOM 1383 O PHE A 169 54.627 11.603 -2.450 1.00 0.00 ATOM 1384 C PHE A 169 54.485 12.594 -1.739 1.00 0.00 ATOM 1385 N ILE A 170 55.418 13.025 -0.893 1.00 0.00 ATOM 1386 CA ILE A 170 56.658 12.289 -0.656 1.00 0.00 ATOM 1387 CB ILE A 170 57.897 13.185 -0.760 1.00 0.00 ATOM 1388 CG1 ILE A 170 57.942 13.812 -2.127 1.00 0.00 ATOM 1389 CG2 ILE A 170 59.153 12.369 -0.393 1.00 0.00 ATOM 1390 CD1 ILE A 170 58.074 12.982 -3.214 1.00 0.00 ATOM 1391 O ILE A 170 56.453 12.612 1.699 1.00 0.00 ATOM 1392 C ILE A 170 56.698 11.813 0.789 1.00 0.00 ATOM 1393 N ASP A 171 57.052 10.543 0.991 1.00 0.00 ATOM 1394 CA ASP A 171 57.122 9.928 2.332 1.00 0.00 ATOM 1395 CB ASP A 171 55.727 9.538 2.822 1.00 0.00 ATOM 1396 CG ASP A 171 55.694 9.241 4.308 1.00 0.00 ATOM 1397 OD1 ASP A 171 56.278 8.216 4.722 1.00 0.00 ATOM 1398 OD2 ASP A 171 55.082 10.030 5.059 1.00 0.00 ATOM 1399 O ASP A 171 57.996 8.053 1.150 1.00 0.00 ATOM 1400 C ASP A 171 57.999 8.698 2.192 1.00 0.00 ATOM 1401 N ASP A 172 58.766 8.370 3.219 1.00 0.00 ATOM 1402 CA ASP A 172 59.624 7.186 3.152 1.00 0.00 ATOM 1403 CB ASP A 172 60.899 7.402 3.971 1.00 0.00 ATOM 1404 CG ASP A 172 60.615 7.582 5.451 1.00 0.00 ATOM 1405 OD1 ASP A 172 59.427 7.573 5.833 1.00 0.00 ATOM 1406 OD2 ASP A 172 61.583 7.731 6.226 1.00 0.00 ATOM 1407 O ASP A 172 59.492 4.881 3.049 1.00 0.00 ATOM 1408 C ASP A 172 58.996 5.919 3.478 1.00 0.00 ATOM 1409 N GLY A 173 57.766 5.986 4.182 1.00 0.00 ATOM 1410 CA GLY A 173 56.939 4.908 4.656 1.00 0.00 ATOM 1411 O GLY A 173 55.184 4.927 3.000 1.00 0.00 ATOM 1412 C GLY A 173 56.026 4.262 3.605 1.00 0.00 ATOM 1413 N PRO A 174 56.212 2.961 3.396 1.00 0.00 ATOM 1414 CA PRO A 174 55.488 2.216 2.356 1.00 0.00 ATOM 1415 CB PRO A 174 56.007 0.783 2.497 1.00 0.00 ATOM 1416 CG PRO A 174 57.382 0.938 3.055 1.00 0.00 ATOM 1417 CD PRO A 174 57.309 2.076 4.034 1.00 0.00 ATOM 1418 O PRO A 174 53.235 2.387 1.535 1.00 0.00 ATOM 1419 C PRO A 174 53.964 2.245 2.519 1.00 0.00 ATOM 1420 N ALA A 175 53.484 2.129 3.756 1.00 0.00 ATOM 1421 CA ALA A 175 52.038 2.215 4.034 1.00 0.00 ATOM 1422 CB ALA A 175 51.770 2.005 5.518 1.00 0.00 ATOM 1423 O ALA A 175 50.385 3.661 3.063 1.00 0.00 ATOM 1424 C ALA A 175 51.474 3.567 3.649 1.00 0.00 ATOM 1425 N ASN A 176 52.226 4.623 3.970 1.00 0.00 ATOM 1426 CA ASN A 176 51.829 5.971 3.574 1.00 0.00 ATOM 1427 CB ASN A 176 52.841 7.000 4.084 1.00 0.00 ATOM 1428 CG ASN A 176 52.749 7.215 5.582 1.00 0.00 ATOM 1429 ND2 ASN A 176 53.814 7.751 6.169 1.00 0.00 ATOM 1430 OD1 ASN A 176 51.732 6.902 6.203 1.00 0.00 ATOM 1431 O ASN A 176 50.783 6.645 1.522 1.00 0.00 ATOM 1432 C ASN A 176 51.750 6.093 2.058 1.00 0.00 ATOM 1433 N VAL A 177 52.767 5.538 1.385 1.00 0.00 ATOM 1434 CA VAL A 177 52.785 5.546 -0.083 1.00 0.00 ATOM 1435 CB VAL A 177 54.076 4.913 -0.636 1.00 0.00 ATOM 1436 CG1 VAL A 177 53.985 4.750 -2.145 1.00 0.00 ATOM 1437 CG2 VAL A 177 55.278 5.789 -0.317 1.00 0.00 ATOM 1438 O VAL A 177 50.912 5.215 -1.551 1.00 0.00 ATOM 1439 C VAL A 177 51.612 4.752 -0.646 1.00 0.00 ATOM 1440 N ALA A 178 51.391 3.521 -0.127 1.00 0.00 ATOM 1441 CA ALA A 178 50.301 2.669 -0.601 1.00 0.00 ATOM 1442 CB ALA A 178 50.258 1.381 0.206 1.00 0.00 ATOM 1443 O ALA A 178 48.110 3.302 -1.384 1.00 0.00 ATOM 1444 C ALA A 178 48.930 3.340 -0.455 1.00 0.00 ATOM 1445 N THR A 179 48.718 3.965 0.699 1.00 0.00 ATOM 1446 CA THR A 179 47.447 4.639 0.951 1.00 0.00 ATOM 1447 CB THR A 179 47.372 5.184 2.389 1.00 0.00 ATOM 1448 CG2 THR A 179 46.058 5.917 2.614 1.00 0.00 ATOM 1449 OG1 THR A 179 47.461 4.096 3.319 1.00 0.00 ATOM 1450 O THR A 179 46.125 5.827 -0.669 1.00 0.00 ATOM 1451 C THR A 179 47.201 5.749 -0.064 1.00 0.00 ATOM 1452 N ALA A 180 48.193 6.602 -0.260 1.00 0.00 ATOM 1453 CA ALA A 180 48.085 7.702 -1.210 1.00 0.00 ATOM 1454 CB ALA A 180 49.282 8.633 -1.096 1.00 0.00 ATOM 1455 O ALA A 180 47.225 7.727 -3.453 1.00 0.00 ATOM 1456 C ALA A 180 48.004 7.197 -2.655 1.00 0.00 ATOM 1457 N GLU A 181 48.773 6.165 -3.012 1.00 0.00 ATOM 1458 CA GLU A 181 48.744 5.535 -4.338 1.00 0.00 ATOM 1459 CB GLU A 181 49.651 4.303 -4.367 1.00 0.00 ATOM 1460 CG GLU A 181 49.726 3.618 -5.722 1.00 0.00 ATOM 1461 CD GLU A 181 50.680 2.440 -5.727 1.00 0.00 ATOM 1462 OE1 GLU A 181 51.299 2.173 -4.676 1.00 0.00 ATOM 1463 OE2 GLU A 181 50.808 1.784 -6.782 1.00 0.00 ATOM 1464 O GLU A 181 46.959 5.169 -5.894 1.00 0.00 ATOM 1465 C GLU A 181 47.356 5.019 -4.741 1.00 0.00 ATOM 1466 N ARG A 182 46.636 4.456 -3.769 1.00 0.00 ATOM 1467 CA ARG A 182 45.280 3.959 -4.018 1.00 0.00 ATOM 1468 CB ARG A 182 44.708 3.340 -2.741 1.00 0.00 ATOM 1469 CG ARG A 182 45.380 2.039 -2.328 1.00 0.00 ATOM 1470 CD ARG A 182 44.808 1.513 -1.022 1.00 0.00 ATOM 1471 NE ARG A 182 45.494 0.305 -0.570 1.00 0.00 ATOM 1472 CZ ARG A 182 45.366 -0.217 0.645 1.00 0.00 ATOM 1473 NH1 ARG A 182 46.029 -1.319 0.966 1.00 0.00 ATOM 1474 NH2 ARG A 182 44.574 0.363 1.536 1.00 0.00 ATOM 1475 O ARG A 182 43.267 4.720 -5.069 1.00 0.00 ATOM 1476 C ARG A 182 44.301 5.035 -4.479 1.00 0.00 ATOM 1477 N LEU A 183 44.606 6.295 -4.173 1.00 0.00 ATOM 1478 CA LEU A 183 43.747 7.406 -4.567 1.00 0.00 ATOM 1479 CB LEU A 183 43.724 8.472 -3.469 1.00 0.00 ATOM 1480 CG LEU A 183 43.179 8.033 -2.108 1.00 0.00 ATOM 1481 CD1 LEU A 183 43.310 9.154 -1.090 1.00 0.00 ATOM 1482 CD2 LEU A 183 41.709 7.655 -2.216 1.00 0.00 ATOM 1483 O LEU A 183 43.561 8.983 -6.362 1.00 0.00 ATOM 1484 C LEU A 183 44.234 8.100 -5.835 1.00 0.00 ATOM 1485 N GLY A 184 45.408 7.745 -6.303 1.00 0.00 ATOM 1486 CA GLY A 184 45.953 8.329 -7.515 1.00 0.00 ATOM 1487 O GLY A 184 46.979 10.385 -8.234 1.00 0.00 ATOM 1488 C GLY A 184 46.821 9.555 -7.294 1.00 0.00 ATOM 1489 N PHE A 185 47.399 9.678 -6.087 1.00 0.00 ATOM 1490 CA PHE A 185 48.380 10.703 -5.788 1.00 0.00 ATOM 1491 CB PHE A 185 48.531 10.901 -4.280 1.00 0.00 ATOM 1492 CG PHE A 185 47.426 11.733 -3.704 1.00 0.00 ATOM 1493 CD1 PHE A 185 47.429 13.112 -3.861 1.00 0.00 ATOM 1494 CD2 PHE A 185 46.359 11.146 -3.042 1.00 0.00 ATOM 1495 CE1 PHE A 185 46.404 13.885 -3.358 1.00 0.00 ATOM 1496 CE2 PHE A 185 45.327 11.925 -2.540 1.00 0.00 ATOM 1497 CZ PHE A 185 45.354 13.289 -2.698 1.00 0.00 ATOM 1498 O PHE A 185 49.992 8.975 -6.191 1.00 0.00 ATOM 1499 C PHE A 185 49.743 10.172 -6.231 1.00 0.00 ATOM 1500 N HIS A 186 50.554 11.048 -6.820 1.00 0.00 ATOM 1501 CA HIS A 186 51.911 10.675 -7.215 1.00 0.00 ATOM 1502 CB HIS A 186 52.481 11.575 -8.312 1.00 0.00 ATOM 1503 CG HIS A 186 51.687 11.734 -9.561 1.00 0.00 ATOM 1504 CD2 HIS A 186 50.669 12.564 -9.892 1.00 0.00 ATOM 1505 ND1 HIS A 186 51.856 10.912 -10.653 1.00 0.00 ATOM 1506 CE1 HIS A 186 51.002 11.243 -11.606 1.00 0.00 ATOM 1507 NE2 HIS A 186 50.269 12.252 -11.168 1.00 0.00 ATOM 1508 O HIS A 186 52.934 11.694 -5.284 1.00 0.00 ATOM 1509 C HIS A 186 52.732 10.656 -5.925 1.00 0.00 ATOM 1510 N THR A 187 53.197 9.467 -5.554 1.00 0.00 ATOM 1511 CA THR A 187 53.766 9.247 -4.241 1.00 0.00 ATOM 1512 CB THR A 187 52.930 8.243 -3.424 1.00 0.00 ATOM 1513 CG2 THR A 187 53.550 8.025 -2.052 1.00 0.00 ATOM 1514 OG1 THR A 187 51.600 8.748 -3.258 1.00 0.00 ATOM 1515 O THR A 187 55.401 7.627 -4.911 1.00 0.00 ATOM 1516 C THR A 187 55.176 8.696 -4.335 1.00 0.00 ATOM 1517 N TYR A 188 56.121 9.426 -3.749 1.00 0.00 ATOM 1518 CA TYR A 188 57.524 9.082 -3.847 1.00 0.00 ATOM 1519 CB TYR A 188 58.451 9.718 -4.515 1.00 0.00 ATOM 1520 CG TYR A 188 58.295 9.307 -5.921 1.00 0.00 ATOM 1521 CD1 TYR A 188 58.425 7.986 -6.331 1.00 0.00 ATOM 1522 CD2 TYR A 188 57.977 10.257 -6.886 1.00 0.00 ATOM 1523 CE1 TYR A 188 58.217 7.646 -7.706 1.00 0.00 ATOM 1524 CE2 TYR A 188 57.779 9.939 -8.159 1.00 0.00 ATOM 1525 CZ TYR A 188 57.908 8.653 -8.577 1.00 0.00 ATOM 1526 OH TYR A 188 57.597 8.351 -9.931 1.00 0.00 ATOM 1527 O TYR A 188 58.078 9.419 -1.542 1.00 0.00 ATOM 1528 C TYR A 188 58.026 8.622 -2.493 1.00 0.00 ATOM 1529 N CYS A 189 58.392 7.346 -2.407 1.00 0.00 ATOM 1530 CA CYS A 189 59.039 6.805 -1.219 1.00 0.00 ATOM 1531 CB CYS A 189 59.029 5.276 -1.253 1.00 0.00 ATOM 1532 SG CYS A 189 59.832 4.492 0.166 1.00 0.00 ATOM 1533 O CYS A 189 61.276 7.005 -2.064 1.00 0.00 ATOM 1534 C CYS A 189 60.493 7.260 -1.146 1.00 0.00 ATOM 1535 N PRO A 190 60.839 7.957 -0.065 1.00 0.00 ATOM 1536 CA PRO A 190 62.217 8.352 0.191 1.00 0.00 ATOM 1537 CB PRO A 190 62.240 9.478 0.910 1.00 0.00 ATOM 1538 CG PRO A 190 60.832 9.913 1.238 1.00 0.00 ATOM 1539 CD PRO A 190 60.056 9.476 0.008 1.00 0.00 ATOM 1540 O PRO A 190 62.667 6.796 1.958 1.00 0.00 ATOM 1541 C PRO A 190 62.937 7.172 0.816 1.00 0.00 ATOM 1542 N ASP A 191 63.865 6.596 0.060 1.00 0.00 ATOM 1543 CA ASP A 191 64.571 5.396 0.490 1.00 0.00 ATOM 1544 CB ASP A 191 64.980 4.550 -0.717 1.00 0.00 ATOM 1545 CG ASP A 191 63.788 4.004 -1.477 1.00 0.00 ATOM 1546 OD1 ASP A 191 62.934 3.343 -0.849 1.00 0.00 ATOM 1547 OD2 ASP A 191 63.707 4.237 -2.702 1.00 0.00 ATOM 1548 O ASP A 191 66.241 5.026 2.160 1.00 0.00 ATOM 1549 C ASP A 191 65.822 5.761 1.261 1.00 0.00 ATOM 1550 N ASN A 192 66.409 6.900 0.891 1.00 0.00 ATOM 1551 CA ASN A 192 67.625 7.432 1.499 1.00 0.00 ATOM 1552 CB ASN A 192 68.836 6.580 1.113 1.00 0.00 ATOM 1553 CG ASN A 192 69.005 6.459 -0.389 1.00 0.00 ATOM 1554 ND2 ASN A 192 69.111 5.226 -0.873 1.00 0.00 ATOM 1555 OD1 ASN A 192 69.041 7.461 -1.104 1.00 0.00 ATOM 1556 O ASN A 192 67.034 9.449 0.315 1.00 0.00 ATOM 1557 C ASN A 192 67.866 8.870 1.021 1.00 0.00 ATOM 1558 N GLY A 193 69.015 9.431 1.384 1.00 0.00 ATOM 1559 CA GLY A 193 69.327 10.816 1.039 1.00 0.00 ATOM 1560 O GLY A 193 69.439 12.254 -0.880 1.00 0.00 ATOM 1561 C GLY A 193 69.452 11.091 -0.470 1.00 0.00 ATOM 1562 N GLU A 194 69.680 9.916 -1.210 1.00 0.00 ATOM 1563 CA GLU A 194 69.909 10.195 -2.634 1.00 0.00 ATOM 1564 CB GLU A 194 70.798 8.775 -3.050 1.00 0.00 ATOM 1565 CG GLU A 194 71.821 8.180 -2.098 1.00 0.00 ATOM 1566 CD GLU A 194 73.131 8.966 -2.062 1.00 0.00 ATOM 1567 OE1 GLU A 194 73.467 9.673 -3.033 1.00 0.00 ATOM 1568 OE2 GLU A 194 73.844 8.870 -1.050 1.00 0.00 ATOM 1569 O GLU A 194 68.547 10.747 -4.516 1.00 0.00 ATOM 1570 C GLU A 194 68.634 10.109 -3.472 1.00 0.00 ATOM 1571 N ASN A 195 67.649 9.335 -3.010 1.00 0.00 ATOM 1572 CA ASN A 195 66.428 9.099 -3.780 1.00 0.00 ATOM 1573 CB ASN A 195 65.407 8.328 -2.940 1.00 0.00 ATOM 1574 CG ASN A 195 64.150 7.990 -3.717 1.00 0.00 ATOM 1575 ND2 ASN A 195 63.024 8.548 -3.291 1.00 0.00 ATOM 1576 OD1 ASN A 195 64.193 7.235 -4.691 1.00 0.00 ATOM 1577 O ASN A 195 65.442 10.528 -5.436 1.00 0.00 ATOM 1578 C ASN A 195 65.721 10.371 -4.245 1.00 0.00 ATOM 1579 N TRP A 196 65.459 11.294 -3.324 1.00 0.00 ATOM 1580 CA TRP A 196 64.723 12.520 -3.678 1.00 0.00 ATOM 1581 CB TRP A 196 64.322 13.291 -2.419 1.00 0.00 ATOM 1582 CG TRP A 196 63.640 14.593 -2.703 1.00 0.00 ATOM 1583 CD1 TRP A 196 64.159 15.844 -2.538 1.00 0.00 ATOM 1584 CD2 TRP A 196 62.309 14.773 -3.204 1.00 0.00 ATOM 1585 CE2 TRP A 196 62.091 16.160 -3.319 1.00 0.00 ATOM 1586 CE3 TRP A 196 61.282 13.898 -3.568 1.00 0.00 ATOM 1587 NE1 TRP A 196 63.236 16.793 -2.904 1.00 0.00 ATOM 1588 CZ2 TRP A 196 60.888 16.692 -3.780 1.00 0.00 ATOM 1589 CZ3 TRP A 196 60.092 14.429 -4.025 1.00 0.00 ATOM 1590 CH2 TRP A 196 59.900 15.811 -4.128 1.00 0.00 ATOM 1591 O TRP A 196 65.000 13.991 -5.568 1.00 0.00 ATOM 1592 C TRP A 196 65.529 13.511 -4.556 1.00 0.00 ATOM 1593 N ILE A 197 66.795 13.808 -4.187 1.00 0.00 ATOM 1594 CA ILE A 197 67.618 14.623 -5.100 1.00 0.00 ATOM 1595 CB ILE A 197 69.050 14.801 -4.561 1.00 0.00 ATOM 1596 CG1 ILE A 197 69.040 15.661 -3.295 1.00 0.00 ATOM 1597 CG2 ILE A 197 69.928 15.484 -5.599 1.00 0.00 ATOM 1598 CD1 ILE A 197 70.355 15.665 -2.550 1.00 0.00 ATOM 1599 O ILE A 197 67.560 14.708 -7.487 1.00 0.00 ATOM 1600 C ILE A 197 67.749 14.003 -6.499 1.00 0.00 ATOM 1601 N PRO A 198 68.037 12.702 -6.577 1.00 0.00 ATOM 1602 CA PRO A 198 68.111 11.999 -7.866 1.00 0.00 ATOM 1603 CB PRO A 198 68.290 10.569 -7.538 1.00 0.00 ATOM 1604 CG PRO A 198 69.201 10.642 -6.383 1.00 0.00 ATOM 1605 CD PRO A 198 68.545 11.699 -5.529 1.00 0.00 ATOM 1606 O PRO A 198 66.855 12.368 -9.867 1.00 0.00 ATOM 1607 C PRO A 198 66.819 12.101 -8.669 1.00 0.00 ATOM 1608 N ALA A 199 65.678 11.917 -8.014 1.00 0.00 ATOM 1609 CA ALA A 199 64.389 12.005 -8.701 1.00 0.00 ATOM 1610 CB ALA A 199 63.231 11.701 -7.746 1.00 0.00 ATOM 1611 O ALA A 199 63.588 13.529 -10.371 1.00 0.00 ATOM 1612 C ALA A 199 64.174 13.391 -9.295 1.00 0.00 ATOM 1613 N ILE A 200 64.597 14.416 -8.584 1.00 0.00 ATOM 1614 CA ILE A 200 64.452 15.791 -9.018 1.00 0.00 ATOM 1615 CB ILE A 200 64.878 16.786 -7.922 1.00 0.00 ATOM 1616 CG1 ILE A 200 64.052 16.549 -6.657 1.00 0.00 ATOM 1617 CG2 ILE A 200 64.738 18.214 -8.448 1.00 0.00 ATOM 1618 CD1 ILE A 200 62.548 16.573 -6.866 1.00 0.00 ATOM 1619 O ILE A 200 64.857 16.689 -11.212 1.00 0.00 ATOM 1620 C ILE A 200 65.303 16.049 -10.258 1.00 0.00 ATOM 1621 N THR A 201 66.534 15.564 -10.231 1.00 0.00 ATOM 1622 CA THR A 201 67.433 15.751 -11.361 1.00 0.00 ATOM 1623 CB THR A 201 68.827 15.179 -11.106 1.00 0.00 ATOM 1624 CG2 THR A 201 69.683 15.336 -12.340 1.00 0.00 ATOM 1625 OG1 THR A 201 69.416 15.890 -10.018 1.00 0.00 ATOM 1626 O THR A 201 66.871 15.726 -13.723 1.00 0.00 ATOM 1627 C THR A 201 66.841 15.138 -12.631 1.00 0.00 ATOM 1628 N ARG A 202 66.258 13.953 -12.497 1.00 0.00 ATOM 1629 CA ARG A 202 65.634 13.277 -13.633 1.00 0.00 ATOM 1630 CB ARG A 202 65.232 11.862 -13.260 1.00 0.00 ATOM 1631 CG ARG A 202 66.425 10.972 -12.945 1.00 0.00 ATOM 1632 CD ARG A 202 65.983 9.579 -12.569 1.00 0.00 ATOM 1633 NE ARG A 202 67.125 8.702 -12.337 1.00 0.00 ATOM 1634 CZ ARG A 202 67.044 7.379 -12.251 1.00 0.00 ATOM 1635 NH1 ARG A 202 65.873 6.775 -12.378 1.00 0.00 ATOM 1636 NH2 ARG A 202 68.139 6.660 -12.046 1.00 0.00 ATOM 1637 O ARG A 202 64.234 14.239 -15.343 1.00 0.00 ATOM 1638 C ARG A 202 64.440 14.078 -14.135 1.00 0.00 ATOM 1639 N LEU A 203 63.627 14.562 -13.212 1.00 0.00 ATOM 1640 CA LEU A 203 62.469 15.348 -13.615 1.00 0.00 ATOM 1641 CB LEU A 203 61.561 15.715 -12.494 1.00 0.00 ATOM 1642 CG LEU A 203 60.806 14.540 -11.863 1.00 0.00 ATOM 1643 CD1 LEU A 203 60.048 15.004 -10.622 1.00 0.00 ATOM 1644 CD2 LEU A 203 59.848 13.944 -12.883 1.00 0.00 ATOM 1645 O LEU A 203 62.361 16.962 -15.413 1.00 0.00 ATOM 1646 C LEU A 203 62.907 16.603 -14.368 1.00 0.00 ATOM 1647 N LEU A 204 63.906 17.277 -13.832 1.00 0.00 ATOM 1648 CA LEU A 204 64.346 18.532 -14.484 1.00 0.00 ATOM 1649 CB LEU A 204 65.421 19.217 -13.591 1.00 0.00 ATOM 1650 CG LEU A 204 65.889 20.617 -14.002 1.00 0.00 ATOM 1651 CD1 LEU A 204 66.545 21.288 -12.804 1.00 0.00 ATOM 1652 CD2 LEU A 204 66.849 20.538 -15.175 1.00 0.00 ATOM 1653 O LEU A 204 64.696 19.072 -16.784 1.00 0.00 ATOM 1654 C LEU A 204 64.925 18.286 -15.874 1.00 0.00 ATOM 1655 N ARG A 205 65.675 17.201 -16.042 1.00 0.00 ATOM 1656 CA ARG A 205 66.260 16.901 -17.338 1.00 0.00 ATOM 1657 CB ARG A 205 67.242 15.766 -17.287 1.00 0.00 ATOM 1658 CG ARG A 205 68.562 16.252 -16.617 1.00 0.00 ATOM 1659 CD ARG A 205 69.503 15.085 -16.327 1.00 0.00 ATOM 1660 NE ARG A 205 69.967 14.534 -17.611 1.00 0.00 ATOM 1661 CZ ARG A 205 70.611 13.381 -17.718 1.00 0.00 ATOM 1662 NH1 ARG A 205 70.870 12.674 -16.608 1.00 0.00 ATOM 1663 NH2 ARG A 205 70.977 12.899 -18.934 1.00 0.00 ATOM 1664 O ARG A 205 65.147 16.923 -19.460 1.00 0.00 ATOM 1665 C ARG A 205 65.143 16.531 -18.296 1.00 0.00 ATOM 1666 N GLU A 206 64.221 15.786 -17.776 1.00 0.00 ATOM 1667 CA GLU A 206 63.069 15.381 -18.570 1.00 0.00 ATOM 1668 CB GLU A 206 62.246 14.407 -17.721 1.00 0.00 ATOM 1669 CG GLU A 206 60.872 14.029 -18.233 1.00 0.00 ATOM 1670 CD GLU A 206 60.234 12.952 -17.354 1.00 0.00 ATOM 1671 OE1 GLU A 206 58.991 12.771 -17.422 1.00 0.00 ATOM 1672 OE2 GLU A 206 60.985 12.289 -16.593 1.00 0.00 ATOM 1673 O GLU A 206 61.648 16.566 -20.097 1.00 0.00 ATOM 1674 C GLU A 206 62.233 16.580 -19.018 1.00 0.00 ATOM 1675 N GLN A 207 62.163 17.623 -18.193 1.00 0.00 ATOM 1676 CA GLN A 207 61.388 18.802 -18.572 1.00 0.00 ATOM 1677 CB GLN A 207 61.344 19.800 -17.409 1.00 0.00 ATOM 1678 CG GLN A 207 60.629 19.246 -16.184 1.00 0.00 ATOM 1679 CD GLN A 207 59.205 18.822 -16.496 1.00 0.00 ATOM 1680 OE1 GLN A 207 58.355 19.654 -16.819 1.00 0.00 ATOM 1681 NE2 GLN A 207 58.937 17.519 -16.409 1.00 0.00 ATOM 1682 O GLN A 207 61.212 19.945 -20.674 1.00 0.00 ATOM 1683 C GLN A 207 61.960 19.477 -19.813 1.00 0.00 ATOM 1684 N LYS A 208 63.284 19.523 -19.900 1.00 0.00 ATOM 1685 CA LYS A 208 63.956 20.142 -21.035 1.00 0.00 ATOM 1686 CB LYS A 208 65.460 20.244 -20.758 1.00 0.00 ATOM 1687 CG LYS A 208 66.274 20.866 -21.881 1.00 0.00 ATOM 1688 CD LYS A 208 67.754 20.928 -21.508 1.00 0.00 ATOM 1689 CE LYS A 208 68.581 21.541 -22.629 1.00 0.00 ATOM 1690 NZ LYS A 208 70.021 21.643 -22.268 1.00 0.00 ATOM 1691 O LYS A 208 63.525 19.885 -23.389 1.00 0.00 ATOM 1692 C LYS A 208 63.714 19.325 -22.307 1.00 0.00 ENDMDL EXPDTA 2i6xA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2i6xA ATOM 1 N MET 1 52.175 18.983 -14.844 1.00 0.00 ATOM 2 CA MET 1 51.571 17.915 -14.055 1.00 0.00 ATOM 3 CB MET 1 52.624 16.824 -13.913 1.00 0.00 ATOM 4 CG MET 1 52.547 15.741 -14.940 1.00 0.00 ATOM 5 SD MET 1 51.705 14.217 -14.085 1.00 0.00 ATOM 6 CE MET 1 53.031 13.840 -12.674 1.00 0.00 ATOM 7 O MET 1 50.017 18.289 -12.222 1.00 0.00 ATOM 8 C MET 1 51.190 18.336 -12.631 1.00 0.00 ATOM 9 N ILE 2 52.226 18.739 -11.903 1.00 0.00 ATOM 10 CA ILE 2 52.203 18.919 -10.474 1.00 0.00 ATOM 11 CB ILE 2 53.536 18.361 -9.856 1.00 0.00 ATOM 12 CG1 ILE 2 53.810 16.902 -10.272 1.00 0.00 ATOM 13 CG2 ILE 2 53.587 18.555 -8.346 1.00 0.00 ATOM 14 CD1 ILE 2 52.802 15.905 -9.806 1.00 0.00 ATOM 15 O ILE 2 52.803 21.245 -10.660 1.00 0.00 ATOM 16 C ILE 2 52.051 20.411 -10.141 1.00 0.00 ATOM 17 N ARG 3 51.073 20.723 -9.288 1.00 0.00 ATOM 18 CA ARG 3 50.854 22.063 -8.729 1.00 0.00 ATOM 19 CB ARG 3 49.386 22.477 -8.902 1.00 0.00 ATOM 20 CG ARG 3 48.924 22.689 -10.341 1.00 0.00 ATOM 21 CD ARG 3 47.805 23.733 -10.365 1.00 0.00 ATOM 22 NE ARG 3 46.986 23.693 -11.582 1.00 0.00 ATOM 23 CZ ARG 3 47.342 24.198 -12.766 1.00 0.00 ATOM 24 NH1 ARG 3 48.525 24.793 -12.924 1.00 0.00 ATOM 25 NH2 ARG 3 46.512 24.103 -13.801 1.00 0.00 ATOM 26 O ARG 3 51.564 23.210 -6.720 1.00 0.00 ATOM 27 C ARG 3 51.209 22.142 -7.228 1.00 0.00 ATOM 28 N ASN 4 51.086 21.008 -6.532 1.00 0.00 ATOM 29 CA ASN 4 51.285 20.927 -5.096 1.00 0.00 ATOM 30 CB ASN 4 49.969 20.641 -4.362 1.00 0.00 ATOM 31 CG ASN 4 48.760 21.262 -5.047 1.00 0.00 ATOM 32 ND2 ASN 4 47.937 20.423 -5.663 1.00 0.00 ATOM 33 OD1 ASN 4 48.570 22.483 -5.024 1.00 0.00 ATOM 34 O ASN 4 52.354 18.808 -5.454 1.00 0.00 ATOM 35 C ASN 4 52.292 19.828 -4.764 1.00 0.00 ATOM 36 N ILE 5 53.091 20.046 -3.724 1.00 0.00 ATOM 37 CA ILE 5 54.025 19.037 -3.299 1.00 0.00 ATOM 38 CB ILE 5 55.509 19.388 -3.676 1.00 0.00 ATOM 39 CG1 ILE 5 55.663 19.717 -5.166 1.00 0.00 ATOM 40 CG2 ILE 5 56.459 18.247 -3.300 1.00 0.00 ATOM 41 CD1 ILE 5 56.787 20.675 -5.422 1.00 0.00 ATOM 42 O ILE 5 53.881 19.949 -1.108 1.00 0.00 ATOM 43 C ILE 5 53.888 18.932 -1.794 1.00 0.00 ATOM 44 N VAL 6 53.792 17.701 -1.293 1.00 0.00 ATOM 45 CA VAL 6 53.616 17.400 0.125 1.00 0.00 ATOM 46 CB VAL 6 52.314 16.566 0.378 1.00 0.00 ATOM 47 CG1 VAL 6 52.188 16.181 1.871 1.00 0.00 ATOM 48 CG2 VAL 6 51.084 17.325 -0.082 1.00 0.00 ATOM 49 O VAL 6 55.145 15.591 -0.108 1.00 0.00 ATOM 50 C VAL 6 54.804 16.565 0.555 1.00 0.00 ATOM 51 N PHE 7 55.437 16.947 1.661 1.00 0.00 ATOM 52 CA PHE 7 56.618 16.263 2.164 1.00 0.00 ATOM 53 CB PHE 7 57.749 17.277 2.366 1.00 0.00 ATOM 54 CG PHE 7 58.223 17.926 1.105 1.00 0.00 ATOM 55 CD1 PHE 7 59.350 17.441 0.436 1.00 0.00 ATOM 56 CD2 PHE 7 57.570 19.037 0.592 1.00 0.00 ATOM 57 CE1 PHE 7 59.797 18.044 -0.737 1.00 0.00 ATOM 58 CE2 PHE 7 58.001 19.627 -0.577 1.00 0.00 ATOM 59 CZ PHE 7 59.120 19.127 -1.240 1.00 0.00 ATOM 60 O PHE 7 55.607 16.261 4.316 1.00 0.00 ATOM 61 C PHE 7 56.321 15.657 3.512 1.00 0.00 ATOM 62 N ASP 8 56.891 14.489 3.795 1.00 0.00 ATOM 63 CA ASP 8 57.019 14.070 5.209 1.00 0.00 ATOM 64 CB ASP 8 57.213 12.554 5.286 1.00 0.00 ATOM 65 CG ASP 8 57.043 11.986 6.684 1.00 0.00 ATOM 66 OD1 ASP 8 56.576 12.673 7.634 1.00 0.00 ATOM 67 OD2 ASP 8 57.408 10.798 6.829 1.00 0.00 ATOM 68 O ASP 8 59.044 15.375 5.090 1.00 0.00 ATOM 69 C ASP 8 58.234 14.812 5.812 1.00 0.00 ATOM 70 N LEU 9 58.353 14.798 7.131 1.00 0.00 ATOM 71 CA LEU 9 59.450 15.410 7.830 1.00 0.00 ATOM 72 CB LEU 9 58.958 16.040 9.142 1.00 0.00 ATOM 73 CG LEU 9 59.989 16.843 9.962 1.00 0.00 ATOM 74 CD1 LEU 9 60.628 17.989 9.166 1.00 0.00 ATOM 75 CD2 LEU 9 59.320 17.364 11.228 1.00 0.00 ATOM 76 O LEU 9 61.576 14.345 7.443 1.00 0.00 ATOM 77 C LEU 9 60.516 14.342 8.095 1.00 0.00 ATOM 78 N GLY 10 60.234 13.436 9.036 1.00 0.00 ATOM 79 CA GLY 10 61.121 12.335 9.354 1.00 0.00 ATOM 80 O GLY 10 60.359 11.146 7.402 1.00 0.00 ATOM 81 C GLY 10 61.336 11.484 8.118 1.00 0.00 ATOM 82 N GLY 11 62.600 11.140 7.851 1.00 0.00 ATOM 83 CA GLY 11 62.928 10.258 6.730 1.00 0.00 ATOM 84 O GLY 11 64.364 10.977 4.948 1.00 0.00 ATOM 85 C GLY 11 63.254 11.057 5.483 1.00 0.00 ATOM 86 N VAL 12 62.319 11.889 5.074 1.00 0.00 ATOM 87 CA VAL 12 62.444 12.739 3.899 1.00 0.00 ATOM 88 CB VAL 12 60.976 13.119 3.429 1.00 0.00 ATOM 89 CG1 VAL 12 60.990 14.074 2.254 1.00 0.00 ATOM 90 CG2 VAL 12 60.236 11.851 3.087 1.00 0.00 ATOM 91 O VAL 12 64.271 14.240 3.314 1.00 0.00 ATOM 92 C VAL 12 63.356 13.993 4.095 1.00 0.00 ATOM 93 N LEU 13 63.092 14.778 5.144 1.00 0.00 ATOM 94 CA LEU 13 63.811 16.031 5.372 1.00 0.00 ATOM 95 CB LEU 13 62.818 17.158 5.635 1.00 0.00 ATOM 96 CG LEU 13 61.822 17.533 4.526 1.00 0.00 ATOM 97 CD1 LEU 13 60.699 18.482 5.017 1.00 0.00 ATOM 98 CD2 LEU 13 62.583 18.168 3.364 1.00 0.00 ATOM 99 O LEU 13 65.846 16.576 6.547 1.00 0.00 ATOM 100 C LEU 13 64.807 15.903 6.526 1.00 0.00 ATOM 101 N ILE 14 64.489 15.053 7.503 1.00 0.00 ATOM 102 CA ILE 14 65.411 14.807 8.597 1.00 0.00 ATOM 103 CB ILE 14 64.792 15.131 10.003 1.00 0.00 ATOM 104 CG1 ILE 14 64.200 16.539 10.050 1.00 0.00 ATOM 105 CG2 ILE 14 65.826 14.866 11.153 1.00 0.00 ATOM 106 CD1 ILE 14 63.514 16.849 11.373 1.00 0.00 ATOM 107 O ILE 14 64.829 12.488 8.685 1.00 0.00 ATOM 108 C ILE 14 65.734 13.326 8.551 1.00 0.00 ATOM 109 N HIS 15 67.008 13.001 8.325 1.00 0.00 ATOM 110 CA HIS 15 67.505 11.622 8.377 1.00 0.00 ATOM 111 CB HIS 15 68.980 11.555 7.918 1.00 0.00 ATOM 112 CG HIS 15 69.601 10.185 7.995 1.00 0.00 ATOM 113 CD2 HIS 15 69.052 8.954 8.126 1.00 0.00 ATOM 114 ND1 HIS 15 70.964 9.982 7.926 1.00 0.00 ATOM 115 CE1 HIS 15 71.224 8.689 8.014 1.00 0.00 ATOM 116 NE2 HIS 15 70.080 8.043 8.141 1.00 0.00 ATOM 117 O HIS 15 67.717 11.853 10.758 1.00 0.00 ATOM 118 C HIS 15 67.361 11.136 9.807 1.00 0.00 ATOM 119 N LEU 16 66.851 9.921 9.951 1.00 0.00 ATOM 120 CA LEU 16 66.558 9.351 11.261 1.00 0.00 ATOM 121 CB LEU 16 65.137 8.778 11.253 1.00 0.00 ATOM 122 CG LEU 16 63.969 9.739 10.980 1.00 0.00 ATOM 123 CD1 LEU 16 62.622 8.987 10.954 1.00 0.00 ATOM 124 CD2 LEU 16 63.913 10.873 12.021 1.00 0.00 ATOM 125 O LEU 16 68.122 7.576 10.884 1.00 0.00 ATOM 126 C LEU 16 67.524 8.266 11.703 1.00 0.00 ATOM 127 N ASN 17 67.646 8.102 13.014 1.00 0.00 ATOM 128 CA ASN 17 68.509 7.091 13.615 1.00 0.00 ATOM 129 CB ASN 17 69.852 7.733 14.044 1.00 0.00 ATOM 130 CG ASN 17 70.849 6.735 14.682 1.00 0.00 ATOM 131 ND2 ASN 17 72.036 7.243 15.026 1.00 0.00 ATOM 132 OD1 ASN 17 70.566 5.547 14.861 1.00 0.00 ATOM 133 O ASN 17 67.907 7.040 15.935 1.00 0.00 ATOM 134 C ASN 17 67.774 6.523 14.818 1.00 0.00 ATOM 135 N ARG 18 66.996 5.466 14.594 1.00 0.00 ATOM 136 CA ARG 18 66.165 4.914 15.665 1.00 0.00 ATOM 137 CB ARG 18 64.993 4.048 15.136 1.00 0.00 ATOM 138 CG ARG 18 65.181 2.540 15.016 1.00 0.00 ATOM 139 CD ARG 18 63.933 1.879 14.349 1.00 0.00 ATOM 140 NE ARG 18 62.902 1.453 15.315 1.00 0.00 ATOM 141 CZ ARG 18 62.890 0.256 15.924 1.00 0.00 ATOM 142 NH1 ARG 18 61.915 -0.076 16.782 1.00 0.00 ATOM 143 NH2 ARG 18 63.868 -0.622 15.680 1.00 0.00 ATOM 144 O ARG 18 66.576 4.360 17.939 1.00 0.00 ATOM 145 C ARG 18 66.963 4.247 16.786 1.00 0.00 ATOM 146 N GLU 19 68.071 3.599 16.421 1.00 0.00 ATOM 147 CA GLU 19 68.984 2.929 17.352 1.00 0.00 ATOM 148 CB GLU 19 70.220 2.412 16.599 1.00 0.00 ATOM 149 CG GLU 19 69.946 1.381 15.485 1.00 0.00 ATOM 150 CD GLU 19 69.301 1.976 14.228 1.00 0.00 ATOM 151 OE1 GLU 19 68.414 1.304 13.646 1.00 0.00 ATOM 152 OE2 GLU 19 69.674 3.102 13.822 1.00 0.00 ATOM 153 O GLU 19 69.453 3.486 19.665 1.00 0.00 ATOM 154 C GLU 19 69.433 3.863 18.483 1.00 0.00 ATOM 155 N GLU 20 69.792 5.081 18.096 1.00 0.00 ATOM 156 CA GLU 20 70.283 6.099 19.007 1.00 0.00 ATOM 157 CB GLU 20 70.820 7.302 18.226 1.00 0.00 ATOM 158 CG GLU 20 71.225 8.494 19.088 1.00 0.00 ATOM 159 CD GLU 20 72.287 8.149 20.119 1.00 0.00 ATOM 160 OE1 GLU 20 72.325 8.855 21.150 1.00 0.00 ATOM 161 OE2 GLU 20 73.070 7.179 19.909 1.00 0.00 ATOM 162 O GLU 20 69.449 6.564 21.222 1.00 0.00 ATOM 163 C GLU 20 69.204 6.517 19.998 1.00 0.00 ATOM 164 N SER 21 68.008 6.801 19.490 1.00 0.00 ATOM 165 CA SER 21 66.873 7.012 20.383 1.00 0.00 ATOM 166 CB SER 21 65.631 7.428 19.617 1.00 0.00 ATOM 167 OG SER 21 64.612 7.855 20.507 1.00 0.00 ATOM 168 O SER 21 66.298 5.947 22.443 1.00 0.00 ATOM 169 C SER 21 66.596 5.783 21.267 1.00 0.00 ATOM 170 N ILE 22 66.712 4.562 20.728 1.00 0.00 ATOM 171 CA ILE 22 66.567 3.357 21.563 1.00 0.00 ATOM 172 CB ILE 22 66.671 2.021 20.766 1.00 0.00 ATOM 173 CG1 ILE 22 65.638 1.922 19.627 1.00 0.00 ATOM 174 CG2 ILE 22 66.575 0.811 21.691 1.00 0.00 ATOM 175 CD1 ILE 22 64.176 2.036 20.021 1.00 0.00 ATOM 176 O ILE 22 67.275 3.010 23.844 1.00 0.00 ATOM 177 C ILE 22 67.607 3.361 22.709 1.00 0.00 ATOM 178 N ARG 23 68.844 3.757 22.394 1.00 0.00 ATOM 179 CA ARG 23 69.944 3.846 23.370 1.00 0.00 ATOM 180 CB ARG 23 71.250 4.253 22.661 1.00 0.00 ATOM 181 CG ARG 23 72.527 4.124 23.483 1.00 0.00 ATOM 182 CD ARG 23 73.639 5.048 22.948 1.00 0.00 ATOM 183 NE ARG 23 73.389 6.474 23.225 1.00 0.00 ATOM 184 CZ ARG 23 74.215 7.472 22.899 1.00 0.00 ATOM 185 NH1 ARG 23 73.897 8.725 23.190 1.00 0.00 ATOM 186 NH2 ARG 23 75.363 7.224 22.272 1.00 0.00 ATOM 187 O ARG 23 69.772 4.489 25.683 1.00 0.00 ATOM 188 C ARG 23 69.613 4.826 24.507 1.00 0.00 ATOM 189 N ARG 24 69.139 6.019 24.148 1.00 0.00 ATOM 190 CA ARG 24 68.802 7.056 25.126 1.00 0.00 ATOM 191 CB ARG 24 68.563 8.401 24.426 1.00 0.00 ATOM 192 CG ARG 24 69.782 8.968 23.702 1.00 0.00 ATOM 193 CD ARG 24 69.489 10.348 23.121 1.00 0.00 ATOM 194 NE ARG 24 70.582 10.818 22.278 1.00 0.00 ATOM 195 CZ ARG 24 70.735 12.069 21.823 1.00 0.00 ATOM 196 NH1 ARG 24 69.854 13.036 22.117 1.00 0.00 ATOM 197 NH2 ARG 24 71.796 12.359 21.071 1.00 0.00 ATOM 198 O ARG 24 67.645 6.819 27.254 1.00 0.00 ATOM 199 C ARG 24 67.609 6.651 26.015 1.00 0.00 ATOM 200 N PHE 25 66.582 6.060 25.395 1.00 0.00 ATOM 201 CA PHE 25 65.442 5.532 26.158 1.00 0.00 ATOM 202 CB PHE 25 64.318 5.059 25.244 1.00 0.00 ATOM 203 CG PHE 25 63.386 6.153 24.840 1.00 0.00 ATOM 204 CD1 PHE 25 62.643 6.837 25.801 1.00 0.00 ATOM 205 CD2 PHE 25 63.255 6.518 23.491 1.00 0.00 ATOM 206 CE1 PHE 25 61.772 7.871 25.427 1.00 0.00 ATOM 207 CE2 PHE 25 62.389 7.551 23.089 1.00 0.00 ATOM 208 CZ PHE 25 61.639 8.226 24.059 1.00 0.00 ATOM 209 O PHE 25 65.307 4.473 28.302 1.00 0.00 ATOM 210 C PHE 25 65.813 4.461 27.180 1.00 0.00 ATOM 211 N LYS 26 66.690 3.542 26.791 1.00 0.00 ATOM 212 CA LYS 26 67.207 2.544 27.709 1.00 0.00 ATOM 213 CB LYS 26 68.162 1.593 26.982 1.00 0.00 ATOM 214 CG LYS 26 67.453 0.578 26.133 1.00 0.00 ATOM 215 CD LYS 26 68.403 -0.338 25.399 1.00 0.00 ATOM 216 CE LYS 26 67.597 -1.311 24.565 1.00 0.00 ATOM 217 NZ LYS 26 68.404 -1.915 23.480 1.00 0.00 ATOM 218 O LYS 26 67.684 2.832 30.047 1.00 0.00 ATOM 219 C LYS 26 67.910 3.209 28.895 1.00 0.00 ATOM 220 N ALA 27 68.756 4.201 28.610 1.00 0.00 ATOM 221 CA ALA 27 69.504 4.884 29.666 1.00 0.00 ATOM 222 CB ALA 27 70.583 5.807 29.081 1.00 0.00 ATOM 223 O ALA 27 69.035 5.809 31.831 1.00 0.00 ATOM 224 C ALA 27 68.614 5.617 30.696 1.00 0.00 ATOM 225 N ILE 28 67.389 5.995 30.323 1.00 0.00 ATOM 226 CA ILE 28 66.445 6.530 31.311 1.00 0.00 ATOM 227 CB ILE 28 65.748 7.825 30.848 1.00 0.00 ATOM 228 CG1 ILE 28 65.035 7.613 29.510 1.00 0.00 ATOM 229 CG2 ILE 28 66.759 8.973 30.847 1.00 0.00 ATOM 230 CD1 ILE 28 64.158 8.816 29.022 1.00 0.00 ATOM 231 O ILE 28 64.328 5.941 32.291 1.00 0.00 ATOM 232 C ILE 28 65.390 5.534 31.801 1.00 0.00 ATOM 233 N GLY 29 65.679 4.238 31.660 1.00 0.00 ATOM 234 CA GLY 29 64.845 3.178 32.244 1.00 0.00 ATOM 235 O GLY 29 63.011 1.704 31.835 1.00 0.00 ATOM 236 C GLY 29 63.706 2.624 31.405 1.00 0.00 ATOM 237 N VAL 30 63.499 3.169 30.210 1.00 0.00 ATOM 238 CA VAL 30 62.475 2.618 29.309 1.00 0.00 ATOM 239 CB VAL 30 61.920 3.665 28.323 1.00 0.00 ATOM 240 CG1 VAL 30 60.667 3.127 27.648 1.00 0.00 ATOM 241 CG2 VAL 30 61.601 4.962 29.023 1.00 0.00 ATOM 242 O VAL 30 63.539 1.475 27.451 1.00 0.00 ATOM 243 C VAL 30 63.060 1.390 28.589 1.00 0.00 ATOM 244 N ALA 31 63.027 0.259 29.286 1.00 0.00 ATOM 245 CA ALA 31 63.756 -0.944 28.897 1.00 0.00 ATOM 246 CB ALA 31 63.949 -1.854 30.127 1.00 0.00 ATOM 247 O ALA 31 63.830 -2.328 26.910 1.00 0.00 ATOM 248 C ALA 31 63.122 -1.728 27.733 1.00 0.00 ATOM 249 N ASP 32 61.792 -1.729 27.687 1.00 0.00 ATOM 250 CA ASP 32 61.056 -2.420 26.640 1.00 0.00 ATOM 251 CB ASP 32 59.750 -2.991 27.201 1.00 0.00 ATOM 252 CG ASP 32 59.965 -4.254 28.002 1.00 0.00 ATOM 253 OD1 ASP 32 60.360 -5.294 27.420 1.00 0.00 ATOM 254 OD2 ASP 32 59.721 -4.222 29.230 1.00 0.00 ATOM 255 O ASP 32 59.832 -1.629 24.717 1.00 0.00 ATOM 256 C ASP 32 60.788 -1.456 25.472 1.00 0.00 ATOM 257 N ILE 33 61.645 -0.444 25.337 1.00 0.00 ATOM 258 CA ILE 33 61.463 0.606 24.326 1.00 0.00 ATOM 259 CB ILE 33 62.527 1.756 24.420 1.00 0.00 ATOM 260 CG1 ILE 33 62.216 2.856 23.392 1.00 0.00 ATOM 261 CG2 ILE 33 63.968 1.236 24.291 1.00 0.00 ATOM 262 CD1 ILE 33 60.936 3.658 23.705 1.00 0.00 ATOM 263 O ILE 33 60.592 0.605 22.094 1.00 0.00 ATOM 264 C ILE 33 61.388 0.101 22.886 1.00 0.00 ATOM 265 N GLU 34 62.229 -0.873 22.558 1.00 0.00 ATOM 266 CA GLU 34 62.357 -1.345 21.192 1.00 0.00 ATOM 267 CB GLU 34 63.494 -2.356 21.109 1.00 0.00 ATOM 268 CG GLU 34 63.808 -2.854 19.715 1.00 0.00 ATOM 269 CD GLU 34 65.277 -3.203 19.543 1.00 0.00 ATOM 270 OE1 GLU 34 65.586 -3.973 18.600 1.00 0.00 ATOM 271 OE2 GLU 34 66.114 -2.707 20.347 1.00 0.00 ATOM 272 O GLU 34 60.601 -1.672 19.573 1.00 0.00 ATOM 273 C GLU 34 61.028 -1.929 20.701 1.00 0.00 ATOM 274 N GLU 35 60.355 -2.675 21.565 1.00 0.00 ATOM 275 CA GLU 35 59.044 -3.184 21.206 1.00 0.00 ATOM 276 CB GLU 35 58.688 -4.467 21.989 1.00 0.00 ATOM 277 CG GLU 35 57.588 -4.340 23.044 1.00 0.00 ATOM 278 CD GLU 35 57.769 -5.329 24.174 1.00 0.00 ATOM 279 OE1 GLU 35 57.011 -6.327 24.241 1.00 0.00 ATOM 280 OE2 GLU 35 58.690 -5.107 24.989 1.00 0.00 ATOM 281 O GLU 35 56.986 -2.153 20.507 1.00 0.00 ATOM 282 C GLU 35 57.952 -2.102 21.273 1.00 0.00 ATOM 283 N MET 36 58.113 -1.140 22.185 1.00 0.00 ATOM 284 CA MET 36 57.180 -0.011 22.305 1.00 0.00 ATOM 285 CB MET 36 57.483 0.857 23.539 1.00 0.00 ATOM 286 CG MET 36 56.967 0.291 24.880 1.00 0.00 ATOM 287 SD MET 36 56.504 1.653 26.248 1.00 0.00 ATOM 288 CE MET 36 58.169 2.633 26.272 1.00 0.00 ATOM 289 O MET 36 56.152 1.377 20.641 1.00 0.00 ATOM 290 C MET 36 57.188 0.844 21.039 1.00 0.00 ATOM 291 N LEU 37 58.363 0.948 20.413 1.00 0.00 ATOM 292 CA LEU 37 58.579 1.719 19.180 1.00 0.00 ATOM 293 CB LEU 37 59.963 2.390 19.216 1.00 0.00 ATOM 294 CG LEU 37 60.080 3.894 19.500 1.00 0.00 ATOM 295 CD1 LEU 37 58.939 4.424 20.340 1.00 0.00 ATOM 296 CD2 LEU 37 61.421 4.298 20.123 1.00 0.00 ATOM 297 O LEU 37 58.714 1.469 16.795 1.00 0.00 ATOM 298 C LEU 37 58.438 0.923 17.863 1.00 0.00 ATOM 299 N ASP 38 58.024 -0.342 17.929 1.00 0.00 ATOM 300 CA ASP 38 57.869 -1.177 16.739 1.00 0.00 ATOM 301 CB ASP 38 58.278 -2.634 17.063 1.00 0.00 ATOM 302 CG ASP 38 57.466 -3.670 16.292 1.00 0.00 ATOM 303 OD1 ASP 38 57.896 -4.076 15.186 1.00 0.00 ATOM 304 OD2 ASP 38 56.387 -4.078 16.787 1.00 0.00 ATOM 305 O ASP 38 55.454 -1.080 16.894 1.00 0.00 ATOM 306 C ASP 38 56.442 -1.099 16.141 1.00 0.00 ATOM 307 N PRO 39 56.329 -1.058 14.783 1.00 0.00 ATOM 308 CA PRO 39 55.030 -1.093 14.047 1.00 0.00 ATOM 309 CB PRO 39 55.437 -0.840 12.589 1.00 0.00 ATOM 310 CG PRO 39 56.861 -0.290 12.648 1.00 0.00 ATOM 311 CD PRO 39 57.477 -0.923 13.859 1.00 0.00 ATOM 312 O PRO 39 53.808 -2.991 13.173 1.00 0.00 ATOM 313 C PRO 39 54.260 -2.417 14.177 1.00 0.00 ATOM 314 N LYS 43 47.566 0.171 18.881 1.00 0.00 ATOM 315 CA LYS 43 47.777 0.005 20.323 1.00 0.00 ATOM 316 CB LYS 43 47.650 -1.467 20.734 1.00 0.00 ATOM 317 CG LYS 43 46.223 -2.011 20.876 1.00 0.00 ATOM 318 CD LYS 43 45.791 -2.083 22.351 1.00 0.00 ATOM 319 CE LYS 43 44.446 -2.796 22.510 1.00 0.00 ATOM 320 NZ LYS 43 44.178 -3.174 23.927 1.00 0.00 ATOM 321 O LYS 43 50.172 0.055 20.175 1.00 0.00 ATOM 322 C LYS 43 49.158 0.503 20.725 1.00 0.00 ATOM 323 N GLY 44 49.193 1.428 21.681 1.00 0.00 ATOM 324 CA GLY 44 50.448 1.836 22.308 1.00 0.00 ATOM 325 O GLY 44 49.866 4.136 22.034 1.00 0.00 ATOM 326 C GLY 44 50.478 3.299 22.692 1.00 0.00 ATOM 327 N LEU 45 51.189 3.623 23.762 1.00 0.00 ATOM 328 CA LEU 45 51.225 5.021 24.173 1.00 0.00 ATOM 329 CB LEU 45 51.430 5.243 25.685 1.00 0.00 ATOM 330 CG LEU 45 52.289 4.376 26.598 1.00 0.00 ATOM 331 CD1 LEU 45 53.742 4.626 26.326 1.00 0.00 ATOM 332 CD2 LEU 45 51.975 4.637 28.064 1.00 0.00 ATOM 333 O LEU 45 51.839 7.122 23.286 1.00 0.00 ATOM 334 C LEU 45 52.099 5.928 23.321 1.00 0.00 ATOM 335 N PHE 46 53.091 5.386 22.612 1.00 0.00 ATOM 336 CA PHE 46 53.756 6.191 21.598 1.00 0.00 ATOM 337 CB PHE 46 55.044 5.535 21.086 1.00 0.00 ATOM 338 CG PHE 46 56.191 5.706 22.034 1.00 0.00 ATOM 339 CD1 PHE 46 57.018 6.820 21.957 1.00 0.00 ATOM 340 CD2 PHE 46 56.399 4.784 23.052 1.00 0.00 ATOM 341 CE1 PHE 46 58.050 6.983 22.857 1.00 0.00 ATOM 342 CE2 PHE 46 57.424 4.943 23.950 1.00 0.00 ATOM 343 CZ PHE 46 58.253 6.038 23.862 1.00 0.00 ATOM 344 O PHE 46 52.921 7.681 19.933 1.00 0.00 ATOM 345 C PHE 46 52.807 6.588 20.465 1.00 0.00 ATOM 346 N LEU 47 51.855 5.718 20.125 1.00 0.00 ATOM 347 CA LEU 47 50.827 6.091 19.160 1.00 0.00 ATOM 348 CB LEU 47 50.019 4.887 18.640 1.00 0.00 ATOM 349 CG LEU 47 48.847 5.284 17.717 1.00 0.00 ATOM 350 CD1 LEU 47 49.368 5.935 16.420 1.00 0.00 ATOM 351 CD2 LEU 47 47.865 4.143 17.412 1.00 0.00 ATOM 352 O LEU 47 49.416 8.010 18.991 1.00 0.00 ATOM 353 C LEU 47 49.889 7.147 19.726 1.00 0.00 ATOM 354 N ASP 48 49.603 7.062 21.020 1.00 0.00 ATOM 355 CA ASP 48 48.748 8.047 21.683 1.00 0.00 ATOM 356 CB ASP 48 48.462 7.638 23.134 1.00 0.00 ATOM 357 CG ASP 48 47.550 6.421 23.238 1.00 0.00 ATOM 358 OD1 ASP 48 46.926 6.030 22.221 1.00 0.00 ATOM 359 OD2 ASP 48 47.447 5.847 24.350 1.00 0.00 ATOM 360 O ASP 48 48.781 10.447 21.523 1.00 0.00 ATOM 361 C ASP 48 49.439 9.410 21.631 1.00 0.00 ATOM 362 N LEU 49 50.765 9.386 21.687 1.00 0.00 ATOM 363 CA LEU 49 51.564 10.590 21.589 1.00 0.00 ATOM 364 CB LEU 49 53.015 10.323 22.038 1.00 0.00 ATOM 365 CG LEU 49 54.045 11.462 21.907 1.00 0.00 ATOM 366 CD1 LEU 49 53.782 12.582 22.915 1.00 0.00 ATOM 367 CD2 LEU 49 55.460 10.931 22.034 1.00 0.00 ATOM 368 O LEU 49 51.386 12.476 20.113 1.00 0.00 ATOM 369 C LEU 49 51.524 11.250 20.184 1.00 0.00 ATOM 370 N GLU 50 51.644 10.450 19.104 1.00 0.00 ATOM 371 CA GLU 50 51.636 10.968 17.705 1.00 0.00 ATOM 372 CB GLU 50 51.964 9.899 16.650 1.00 0.00 ATOM 373 CG GLU 50 53.165 9.064 16.916 1.00 0.00 ATOM 374 CD GLU 50 53.951 8.815 15.645 1.00 0.00 ATOM 375 OE1 GLU 50 53.375 8.186 14.710 1.00 0.00 ATOM 376 OE2 GLU 50 55.145 9.273 15.610 1.00 0.00 ATOM 377 O GLU 50 50.177 12.421 16.545 1.00 0.00 ATOM 378 C GLU 50 50.282 11.463 17.295 1.00 0.00 ATOM 379 N SER 51 49.259 10.739 17.736 1.00 0.00 ATOM 380 CA SER 51 47.912 10.946 17.289 1.00 0.00 ATOM 381 CB SER 51 47.122 9.646 17.427 1.00 0.00 ATOM 382 OG SER 51 46.670 9.444 18.760 1.00 0.00 ATOM 383 O SER 51 46.145 12.486 17.744 1.00 0.00 ATOM 384 C SER 51 47.240 12.059 18.080 1.00 0.00 ATOM 385 N GLY 52 47.892 12.517 19.142 1.00 0.00 ATOM 386 CA GLY 52 47.324 13.551 19.988 1.00 0.00 ATOM 387 O GLY 52 45.878 13.815 21.855 1.00 0.00 ATOM 388 C GLY 52 46.357 13.036 21.035 1.00 0.00 ATOM 389 N ARG 53 46.073 11.735 21.024 1.00 0.00 ATOM 390 CA ARG 53 45.116 11.152 21.970 1.00 0.00 ATOM 391 CB ARG 53 44.897 9.668 21.678 1.00 0.00 ATOM 392 CG ARG 53 43.753 9.081 22.456 1.00 0.00 ATOM 393 CD ARG 53 43.440 7.667 22.023 1.00 0.00 ATOM 394 NE ARG 53 42.411 7.091 22.884 1.00 0.00 ATOM 395 CZ ARG 53 42.656 6.473 24.038 1.00 0.00 ATOM 396 NH1 ARG 53 41.643 5.985 24.756 1.00 0.00 ATOM 397 NH2 ARG 53 43.911 6.334 24.469 1.00 0.00 ATOM 398 O ARG 53 44.688 11.750 24.269 1.00 0.00 ATOM 399 C ARG 53 45.524 11.394 23.438 1.00 0.00 ATOM 400 N LYS 54 46.805 11.212 23.749 1.00 0.00 ATOM 401 CA LYS 54 47.371 11.742 24.981 1.00 0.00 ATOM 402 CB LYS 54 48.209 10.689 25.706 1.00 0.00 ATOM 403 CG LYS 54 47.375 9.608 26.380 1.00 0.00 ATOM 404 CD LYS 54 48.242 8.483 26.911 1.00 0.00 ATOM 405 CE LYS 54 47.398 7.397 27.555 1.00 0.00 ATOM 406 NZ LYS 54 46.351 6.820 26.624 1.00 0.00 ATOM 407 O LYS 54 49.010 13.018 23.750 1.00 0.00 ATOM 408 C LYS 54 48.209 12.980 24.694 1.00 0.00 ATOM 409 N SER 55 48.011 14.006 25.509 1.00 0.00 ATOM 410 CA SER 55 48.903 15.155 25.530 1.00 0.00 ATOM 411 CB SER 55 48.367 16.220 26.492 1.00 0.00 ATOM 412 OG SER 55 48.384 15.745 27.830 1.00 0.00 ATOM 413 O SER 55 50.500 13.584 26.455 1.00 0.00 ATOM 414 C SER 55 50.306 14.710 25.962 1.00 0.00 ATOM 415 N GLU 56 51.276 15.602 25.784 1.00 0.00 ATOM 416 CA GLU 56 52.650 15.350 26.204 1.00 0.00 ATOM 417 CB GLU 56 53.500 16.573 25.870 1.00 0.00 ATOM 418 CG GLU 56 54.977 16.424 26.114 1.00 0.00 ATOM 419 CD GLU 56 55.319 16.485 27.589 1.00 0.00 ATOM 420 OE1 GLU 56 54.726 17.337 28.297 1.00 0.00 ATOM 421 OE2 GLU 56 56.165 15.678 28.037 1.00 0.00 ATOM 422 O GLU 56 53.222 13.938 28.077 1.00 0.00 ATOM 423 C GLU 56 52.678 14.979 27.696 1.00 0.00 ATOM 424 N GLU 57 52.041 15.805 28.524 1.00 0.00 ATOM 425 CA GLU 57 51.936 15.572 29.974 1.00 0.00 ATOM 426 CB GLU 57 51.117 16.692 30.642 1.00 0.00 ATOM 427 CG GLU 57 50.593 16.389 32.063 1.00 0.00 ATOM 428 CD GLU 57 51.331 17.119 33.190 1.00 0.00 ATOM 429 OE1 GLU 57 50.720 17.270 34.274 1.00 0.00 ATOM 430 OE2 GLU 57 52.501 17.533 33.005 1.00 0.00 ATOM 431 O GLU 57 51.835 13.523 31.212 1.00 0.00 ATOM 432 C GLU 57 51.339 14.218 30.314 1.00 0.00 ATOM 433 N GLU 58 50.266 13.861 29.607 1.00 0.00 ATOM 434 CA GLU 58 49.583 12.589 29.808 1.00 0.00 ATOM 435 CB GLU 58 48.245 12.568 29.059 1.00 0.00 ATOM 436 CG GLU 58 47.167 13.449 29.680 1.00 0.00 ATOM 437 CD GLU 58 45.884 13.442 28.868 1.00 0.00 ATOM 438 OE1 GLU 58 45.957 13.572 27.623 1.00 0.00 ATOM 439 OE2 GLU 58 44.797 13.301 29.472 1.00 0.00 ATOM 440 O GLU 58 50.461 10.378 30.165 1.00 0.00 ATOM 441 C GLU 58 50.435 11.368 29.428 1.00 0.00 ATOM 442 N PHE 59 51.140 11.456 28.300 1.00 0.00 ATOM 443 CA PHE 59 52.024 10.389 27.825 1.00 0.00 ATOM 444 CB PHE 59 52.532 10.739 26.421 1.00 0.00 ATOM 445 CG PHE 59 53.794 10.020 26.012 1.00 0.00 ATOM 446 CD1 PHE 59 53.731 8.761 25.392 1.00 0.00 ATOM 447 CD2 PHE 59 55.055 10.633 26.196 1.00 0.00 ATOM 448 CE1 PHE 59 54.909 8.096 24.973 1.00 0.00 ATOM 449 CE2 PHE 59 56.259 9.981 25.794 1.00 0.00 ATOM 450 CZ PHE 59 56.188 8.714 25.164 1.00 0.00 ATOM 451 O PHE 59 53.561 8.968 29.035 1.00 0.00 ATOM 452 C PHE 59 53.189 10.122 28.786 1.00 0.00 ATOM 453 N ARG 60 53.751 11.188 29.335 1.00 0.00 ATOM 454 CA ARG 60 54.887 11.058 30.211 1.00 0.00 ATOM 455 CB ARG 60 55.583 12.411 30.343 1.00 0.00 ATOM 456 CG ARG 60 56.941 12.349 30.990 1.00 0.00 ATOM 457 CD ARG 60 57.721 13.634 30.770 1.00 0.00 ATOM 458 NE ARG 60 56.866 14.796 30.521 1.00 0.00 ATOM 459 CZ ARG 60 56.331 15.553 31.471 1.00 0.00 ATOM 460 NH1 ARG 60 56.551 15.251 32.742 1.00 0.00 ATOM 461 NH2 ARG 60 55.553 16.587 31.149 1.00 0.00 ATOM 462 O ARG 60 55.190 9.665 32.151 1.00 0.00 ATOM 463 C ARG 60 54.480 10.494 31.573 1.00 0.00 ATOM 464 N THR 61 53.327 10.940 32.066 1.00 0.00 ATOM 465 CA THR 61 52.739 10.404 33.273 1.00 0.00 ATOM 466 CB THR 61 51.385 11.092 33.594 1.00 0.00 ATOM 467 CG2 THR 61 50.747 10.506 34.875 1.00 0.00 ATOM 468 OG1 THR 61 51.598 12.494 33.790 1.00 0.00 ATOM 469 O THR 61 52.952 8.117 33.989 1.00 0.00 ATOM 470 C THR 61 52.544 8.896 33.120 1.00 0.00 ATOM 471 N GLU 62 51.925 8.480 32.016 1.00 0.00 ATOM 472 CA GLU 62 51.704 7.055 31.789 1.00 0.00 ATOM 473 CB GLU 62 50.716 6.807 30.639 1.00 0.00 ATOM 474 CG GLU 62 49.330 7.338 30.898 1.00 0.00 ATOM 475 CD GLU 62 48.796 6.869 32.226 1.00 0.00 ATOM 476 OE1 GLU 62 48.835 7.659 33.203 1.00 0.00 ATOM 477 OE2 GLU 62 48.365 5.697 32.301 1.00 0.00 ATOM 478 O GLU 62 53.105 5.136 32.029 1.00 0.00 ATOM 479 C GLU 62 52.999 6.274 31.578 1.00 0.00 ATOM 480 N LEU 63 53.969 6.887 30.908 1.00 0.00 ATOM 481 CA LEU 63 55.258 6.242 30.637 1.00 0.00 ATOM 482 CB LEU 63 56.114 7.079 29.671 1.00 0.00 ATOM 483 CG LEU 63 56.951 6.428 28.551 1.00 0.00 ATOM 484 CD1 LEU 63 58.140 7.315 28.172 1.00 0.00 ATOM 485 CD2 LEU 63 57.436 5.008 28.814 1.00 0.00 ATOM 486 O LEU 63 56.664 4.995 32.127 1.00 0.00 ATOM 487 C LEU 63 56.032 6.034 31.937 1.00 0.00 ATOM 488 N SER 64 56.001 7.052 32.797 1.00 0.00 ATOM 489 CA SER 64 56.546 6.980 34.154 1.00 0.00 ATOM 490 CB SER 64 56.290 8.286 34.894 1.00 0.00 ATOM 491 OG SER 64 57.029 9.343 34.317 1.00 0.00 ATOM 492 O SER 64 56.645 4.977 35.489 1.00 0.00 ATOM 493 C SER 64 55.923 5.808 34.934 1.00 0.00 ATOM 494 N ARG 65 54.593 5.740 34.954 1.00 0.00 ATOM 495 CA ARG 65 53.874 4.634 35.586 1.00 0.00 ATOM 496 CB ARG 65 52.362 4.810 35.388 1.00 0.00 ATOM 497 CG ARG 65 51.434 3.840 36.178 1.00 0.00 ATOM 498 CD ARG 65 49.926 4.021 35.777 1.00 0.00 ATOM 499 NE ARG 65 49.646 5.429 35.431 1.00 0.00 ATOM 500 CZ ARG 65 49.373 6.398 36.315 1.00 0.00 ATOM 501 NH1 ARG 65 49.300 6.126 37.617 1.00 0.00 ATOM 502 NH2 ARG 65 49.164 7.645 35.899 1.00 0.00 ATOM 503 O ARG 65 54.623 2.368 35.730 1.00 0.00 ATOM 504 C ARG 65 54.358 3.305 35.002 1.00 0.00 ATOM 505 N TYR 66 54.519 3.263 33.683 1.00 0.00 ATOM 506 CA TYR 66 54.918 2.051 32.957 1.00 0.00 ATOM 507 CB TYR 66 54.811 2.330 31.449 1.00 0.00 ATOM 508 CG TYR 66 55.030 1.180 30.492 1.00 0.00 ATOM 509 CD1 TYR 66 53.945 0.504 29.927 1.00 0.00 ATOM 510 CD2 TYR 66 56.321 0.812 30.091 1.00 0.00 ATOM 511 CE1 TYR 66 54.142 -0.536 29.016 1.00 0.00 ATOM 512 CE2 TYR 66 56.528 -0.227 29.181 1.00 0.00 ATOM 513 CZ TYR 66 55.443 -0.886 28.640 1.00 0.00 ATOM 514 OH TYR 66 55.646 -1.920 27.736 1.00 0.00 ATOM 515 O TYR 66 56.510 0.305 33.455 1.00 0.00 ATOM 516 C TYR 66 56.306 1.508 33.347 1.00 0.00 ATOM 517 N ILE 67 57.260 2.393 33.566 1.00 0.00 ATOM 518 CA ILE 67 58.604 1.934 33.915 1.00 0.00 ATOM 519 CB ILE 67 59.700 2.667 33.089 1.00 0.00 ATOM 520 CG1 ILE 67 59.866 4.121 33.548 1.00 0.00 ATOM 521 CG2 ILE 67 59.367 2.586 31.570 1.00 0.00 ATOM 522 CD1 ILE 67 61.092 4.821 32.940 1.00 0.00 ATOM 523 O ILE 67 59.911 1.439 35.886 1.00 0.00 ATOM 524 C ILE 67 58.883 1.949 35.431 1.00 0.00 ATOM 525 N GLY 68 57.941 2.501 36.198 1.00 0.00 ATOM 526 CA GLY 68 58.091 2.667 37.644 1.00 0.00 ATOM 527 O GLY 68 59.977 3.427 38.886 1.00 0.00 ATOM 528 C GLY 68 59.179 3.660 37.990 1.00 0.00 ATOM 529 N LYS 69 59.213 4.769 37.258 1.00 0.00 ATOM 530 CA LYS 69 60.248 5.786 37.419 1.00 0.00 ATOM 531 CB LYS 69 61.544 5.342 36.724 1.00 0.00 ATOM 532 CG LYS 69 62.829 6.003 37.218 1.00 0.00 ATOM 533 CD LYS 69 63.937 5.843 36.181 1.00 0.00 ATOM 534 CE LYS 69 65.193 5.207 36.784 1.00 0.00 ATOM 535 NZ LYS 69 66.081 4.636 35.708 1.00 0.00 ATOM 536 O LYS 69 59.235 7.074 35.697 1.00 0.00 ATOM 537 C LYS 69 59.750 7.084 36.805 1.00 0.00 ATOM 538 N GLU 70 59.924 8.189 37.524 1.00 0.00 ATOM 539 CA GLU 70 59.479 9.502 37.073 1.00 0.00 ATOM 540 CB GLU 70 59.327 10.438 38.282 1.00 0.00 ATOM 541 CG GLU 70 59.885 11.852 38.117 1.00 0.00 ATOM 542 CD GLU 70 58.835 12.881 37.748 1.00 0.00 ATOM 543 OE1 GLU 70 57.636 12.656 38.062 1.00 0.00 ATOM 544 OE2 GLU 70 59.222 13.922 37.159 1.00 0.00 ATOM 545 O GLU 70 61.636 10.185 36.253 1.00 0.00 ATOM 546 C GLU 70 60.427 10.070 36.018 1.00 0.00 ATOM 547 N LEU 71 59.861 10.400 34.856 1.00 0.00 ATOM 548 CA LEU 71 60.569 11.038 33.758 1.00 0.00 ATOM 549 CB LEU 71 60.386 10.257 32.445 1.00 0.00 ATOM 550 CG LEU 71 60.702 8.759 32.560 1.00 0.00 ATOM 551 CD1 LEU 71 60.169 7.991 31.379 1.00 0.00 ATOM 552 CD2 LEU 71 62.206 8.508 32.754 1.00 0.00 ATOM 553 O LEU 71 58.853 12.706 33.671 1.00 0.00 ATOM 554 C LEU 71 60.053 12.450 33.587 1.00 0.00 ATOM 555 N THR 72 60.984 13.347 33.326 1.00 0.00 ATOM 556 CA THR 72 60.718 14.752 33.088 1.00 0.00 ATOM 557 CB THR 72 61.921 15.602 33.597 1.00 0.00 ATOM 558 CG2 THR 72 62.288 15.214 34.987 1.00 0.00 ATOM 559 OG1 THR 72 63.053 15.361 32.752 1.00 0.00 ATOM 560 O THR 72 60.956 14.186 30.739 1.00 0.00 ATOM 561 C THR 72 60.547 15.007 31.585 1.00 0.00 ATOM 562 N TYR 73 59.942 16.145 31.253 1.00 0.00 ATOM 563 CA TYR 73 59.895 16.606 29.886 1.00 0.00 ATOM 564 CB TYR 73 59.402 18.059 29.823 1.00 0.00 ATOM 565 CG TYR 73 59.346 18.583 28.413 1.00 0.00 ATOM 566 CD1 TYR 73 58.162 18.507 27.658 1.00 0.00 ATOM 567 CD2 TYR 73 60.477 19.120 27.809 1.00 0.00 ATOM 568 CE1 TYR 73 58.112 18.991 26.333 1.00 0.00 ATOM 569 CE2 TYR 73 60.445 19.584 26.500 1.00 0.00 ATOM 570 CZ TYR 73 59.266 19.515 25.776 1.00 0.00 ATOM 571 OH TYR 73 59.262 19.985 24.495 1.00 0.00 ATOM 572 O TYR 73 61.409 15.877 28.132 1.00 0.00 ATOM 573 C TYR 73 61.277 16.488 29.210 1.00 0.00 ATOM 574 N GLN 74 62.288 17.060 29.872 1.00 0.00 ATOM 575 CA GLN 74 63.622 17.210 29.328 1.00 0.00 ATOM 576 CB GLN 74 64.486 18.039 30.298 1.00 0.00 ATOM 577 CG GLN 74 65.859 18.400 29.792 1.00 0.00 ATOM 578 CD GLN 74 66.875 17.311 30.104 1.00 0.00 ATOM 579 OE1 GLN 74 66.860 16.732 31.205 1.00 0.00 ATOM 580 NE2 GLN 74 67.763 17.019 29.143 1.00 0.00 ATOM 581 O GLN 74 64.865 15.682 27.969 1.00 0.00 ATOM 582 C GLN 74 64.238 15.855 29.006 1.00 0.00 ATOM 583 N GLN 75 64.029 14.885 29.883 1.00 0.00 ATOM 584 CA GLN 75 64.535 13.519 29.676 1.00 0.00 ATOM 585 CB GLN 75 64.260 12.650 30.898 1.00 0.00 ATOM 586 CG GLN 75 65.202 12.900 32.048 1.00 0.00 ATOM 587 CD GLN 75 64.794 12.102 33.287 1.00 0.00 ATOM 588 OE1 GLN 75 63.626 12.101 33.692 1.00 0.00 ATOM 589 NE2 GLN 75 65.757 11.421 33.887 1.00 0.00 ATOM 590 O GLN 75 64.704 12.134 27.761 1.00 0.00 ATOM 591 C GLN 75 63.975 12.826 28.462 1.00 0.00 ATOM 592 N VAL 76 62.676 12.990 28.223 1.00 0.00 ATOM 593 CA VAL 76 62.018 12.287 27.132 1.00 0.00 ATOM 594 CB VAL 76 60.461 12.167 27.340 1.00 0.00 ATOM 595 CG1 VAL 76 59.789 11.525 26.111 1.00 0.00 ATOM 596 CG2 VAL 76 60.160 11.374 28.594 1.00 0.00 ATOM 597 O VAL 76 62.620 12.394 24.831 1.00 0.00 ATOM 598 C VAL 76 62.317 13.014 25.854 1.00 0.00 ATOM 599 N TYR 77 62.189 14.332 25.912 1.00 0.00 ATOM 600 CA TYR 77 62.584 15.208 24.816 1.00 0.00 ATOM 601 CB TYR 77 62.588 16.660 25.306 1.00 0.00 ATOM 602 CG TYR 77 63.108 17.615 24.280 1.00 0.00 ATOM 603 CD1 TYR 77 62.238 18.267 23.417 1.00 0.00 ATOM 604 CD2 TYR 77 64.487 17.870 24.158 1.00 0.00 ATOM 605 CE1 TYR 77 62.709 19.162 22.455 1.00 0.00 ATOM 606 CE2 TYR 77 64.971 18.745 23.190 1.00 0.00 ATOM 607 CZ TYR 77 64.062 19.392 22.339 1.00 0.00 ATOM 608 OH TYR 77 64.499 20.277 21.374 1.00 0.00 ATOM 609 O TYR 77 64.182 14.613 23.091 1.00 0.00 ATOM 610 C TYR 77 63.995 14.841 24.283 1.00 0.00 ATOM 611 N ASP 78 64.965 14.788 25.195 1.00 0.00 ATOM 612 CA ASP 78 66.334 14.401 24.880 1.00 0.00 ATOM 613 CB ASP 78 67.176 14.479 26.149 1.00 0.00 ATOM 614 CG ASP 78 68.582 13.989 25.940 1.00 0.00 ATOM 615 OD1 ASP 78 69.409 14.749 25.414 1.00 0.00 ATOM 616 OD2 ASP 78 68.862 12.832 26.322 1.00 0.00 ATOM 617 O ASP 78 67.282 12.818 23.314 1.00 0.00 ATOM 618 C ASP 78 66.478 13.003 24.234 1.00 0.00 ATOM 619 N ALA 79 65.722 12.026 24.728 1.00 0.00 ATOM 620 CA ALA 79 65.721 10.688 24.134 1.00 0.00 ATOM 621 CB ALA 79 65.064 9.684 25.077 1.00 0.00 ATOM 622 O ALA 79 65.572 10.017 21.831 1.00 0.00 ATOM 623 C ALA 79 65.053 10.648 22.759 1.00 0.00 ATOM 624 N LEU 80 63.902 11.300 22.620 1.00 0.00 ATOM 625 CA LEU 80 63.242 11.346 21.331 1.00 0.00 ATOM 626 CB LEU 80 61.864 12.000 21.444 1.00 0.00 ATOM 627 CG LEU 80 60.563 11.203 21.186 1.00 0.00 ATOM 628 CD1 LEU 80 60.689 9.762 20.628 1.00 0.00 ATOM 629 CD2 LEU 80 59.648 11.263 22.386 1.00 0.00 ATOM 630 O LEU 80 64.238 11.644 19.150 1.00 0.00 ATOM 631 C LEU 80 64.123 12.062 20.304 1.00 0.00 ATOM 632 N LEU 81 64.783 13.130 20.716 1.00 0.00 ATOM 633 CA LEU 81 65.628 13.830 19.764 1.00 0.00 ATOM 634 CB LEU 81 65.986 15.224 20.274 1.00 0.00 ATOM 635 CG LEU 81 65.091 16.253 19.591 1.00 0.00 ATOM 636 CD1 LEU 81 63.623 16.249 20.048 1.00 0.00 ATOM 637 CD2 LEU 81 65.735 17.533 19.938 1.00 0.00 ATOM 638 O LEU 81 67.553 13.466 18.376 1.00 0.00 ATOM 639 C LEU 81 66.881 13.039 19.307 1.00 0.00 ATOM 640 N GLY 82 67.159 11.896 19.946 1.00 0.00 ATOM 641 CA GLY 82 68.187 10.975 19.478 1.00 0.00 ATOM 642 O GLY 82 68.799 10.009 17.385 1.00 0.00 ATOM 643 C GLY 82 67.888 10.423 18.092 1.00 0.00 ATOM 644 N PHE 83 66.602 10.383 17.737 1.00 0.00 ATOM 645 CA PHE 83 66.132 10.031 16.401 1.00 0.00 ATOM 646 CB PHE 83 64.593 10.122 16.333 1.00 0.00 ATOM 647 CG PHE 83 63.884 8.795 16.380 1.00 0.00 ATOM 648 CD1 PHE 83 63.824 7.986 15.257 1.00 0.00 ATOM 649 CD2 PHE 83 63.244 8.368 17.550 1.00 0.00 ATOM 650 CE1 PHE 83 63.118 6.760 15.281 1.00 0.00 ATOM 651 CE2 PHE 83 62.553 7.129 17.602 1.00 0.00 ATOM 652 CZ PHE 83 62.492 6.329 16.466 1.00 0.00 ATOM 653 O PHE 83 66.880 10.445 14.167 1.00 0.00 ATOM 654 C PHE 83 66.688 10.924 15.289 1.00 0.00 ATOM 655 N LEU 84 66.938 12.205 15.591 1.00 0.00 ATOM 656 CA LEU 84 67.206 13.183 14.533 1.00 0.00 ATOM 657 CB LEU 84 66.600 14.565 14.852 1.00 0.00 ATOM 658 CG LEU 84 65.198 14.779 15.451 1.00 0.00 ATOM 659 CD1 LEU 84 64.763 16.219 15.182 1.00 0.00 ATOM 660 CD2 LEU 84 64.094 13.805 14.972 1.00 0.00 ATOM 661 O LEU 84 69.442 14.030 14.826 1.00 0.00 ATOM 662 C LEU 84 68.696 13.273 14.201 1.00 0.00 ATOM 663 N GLU 85 69.114 12.494 13.205 1.00 0.00 ATOM 664 CA GLU 85 70.528 12.326 12.886 1.00 0.00 ATOM 665 CB GLU 85 70.771 10.929 12.296 1.00 0.00 ATOM 666 CG GLU 85 72.239 10.438 12.310 1.00 0.00 ATOM 667 CD GLU 85 72.900 10.612 10.957 1.00 0.00 ATOM 668 OE1 GLU 85 74.162 10.615 10.869 1.00 0.00 ATOM 669 OE2 GLU 85 72.149 10.767 9.959 1.00 0.00 ATOM 670 O GLU 85 72.195 13.847 12.120 1.00 0.00 ATOM 671 C GLU 85 71.056 13.428 11.975 1.00 0.00 ATOM 672 N GLU 86 70.232 13.898 11.038 1.00 0.00 ATOM 673 CA GLU 86 70.558 15.082 10.251 1.00 0.00 ATOM 674 CB GLU 86 71.442 14.768 9.036 1.00 0.00 ATOM 675 CG GLU 86 71.624 16.042 8.181 1.00 0.00 ATOM 676 CD GLU 86 72.594 15.930 7.010 1.00 0.00 ATOM 677 OE1 GLU 86 72.534 14.928 6.257 1.00 0.00 ATOM 678 OE2 GLU 86 73.393 16.884 6.827 1.00 0.00 ATOM 679 O GLU 86 68.486 15.332 9.064 1.00 0.00 ATOM 680 C GLU 86 69.346 15.866 9.770 1.00 0.00 ATOM 681 N ILE 87 69.304 17.140 10.130 1.00 0.00 ATOM 682 CA ILE 87 68.341 18.064 9.578 1.00 0.00 ATOM 683 CB ILE 87 67.964 19.127 10.628 1.00 0.00 ATOM 684 CG1 ILE 87 67.414 18.419 11.893 1.00 0.00 ATOM 685 CG2 ILE 87 66.984 20.130 10.045 1.00 0.00 ATOM 686 CD1 ILE 87 67.404 19.235 13.196 1.00 0.00 ATOM 687 O ILE 87 69.894 19.444 8.326 1.00 0.00 ATOM 688 C ILE 87 68.949 18.636 8.289 1.00 0.00 ATOM 689 N SER 88 68.440 18.169 7.143 1.00 0.00 ATOM 690 CA SER 88 69.022 18.505 5.835 1.00 0.00 ATOM 691 CB SER 88 68.469 17.612 4.720 1.00 0.00 ATOM 692 OG SER 88 69.306 17.721 3.570 1.00 0.00 ATOM 693 O SER 88 67.801 20.370 4.938 1.00 0.00 ATOM 694 C SER 88 68.843 19.971 5.449 1.00 0.00 ATOM 695 N ALA 89 69.860 20.767 5.728 1.00 0.00 ATOM 696 CA ALA 89 69.903 22.151 5.283 1.00 0.00 ATOM 697 CB ALA 89 71.262 22.806 5.668 1.00 0.00 ATOM 698 O ALA 89 68.887 23.143 3.344 1.00 0.00 ATOM 699 C ALA 89 69.658 22.279 3.765 1.00 0.00 ATOM 700 N GLU 90 70.307 21.430 2.955 1.00 0.00 ATOM 701 CA GLU 90 70.179 21.534 1.505 1.00 0.00 ATOM 702 CB GLU 90 71.295 20.801 0.748 1.00 0.00 ATOM 703 CG GLU 90 71.153 19.292 0.505 1.00 0.00 ATOM 704 CD GLU 90 72.350 18.738 -0.313 1.00 0.00 ATOM 705 OE1 GLU 90 72.411 18.980 -1.555 1.00 0.00 ATOM 706 OE2 GLU 90 73.244 18.075 0.293 1.00 0.00 ATOM 707 O GLU 90 68.325 21.865 0.048 1.00 0.00 ATOM 708 C GLU 90 68.781 21.213 0.976 1.00 0.00 ATOM 709 N LYS 91 68.101 20.241 1.584 1.00 0.00 ATOM 710 CA LYS 91 66.734 19.927 1.191 1.00 0.00 ATOM 711 CB LYS 91 66.284 18.576 1.727 1.00 0.00 ATOM 712 CG LYS 91 67.074 17.405 1.151 1.00 0.00 ATOM 713 CD LYS 91 66.617 16.116 1.809 1.00 0.00 ATOM 714 CE LYS 91 67.466 14.908 1.443 1.00 0.00 ATOM 715 NZ LYS 91 66.957 13.697 2.167 1.00 0.00 ATOM 716 O LYS 91 64.840 21.332 0.858 1.00 0.00 ATOM 717 C LYS 91 65.777 21.040 1.591 1.00 0.00 ATOM 718 N PHE 92 66.033 21.700 2.723 1.00 0.00 ATOM 719 CA PHE 92 65.225 22.876 3.069 1.00 0.00 ATOM 720 CB PHE 92 65.403 23.277 4.533 1.00 0.00 ATOM 721 CG PHE 92 64.556 22.482 5.462 1.00 0.00 ATOM 722 CD1 PHE 92 63.189 22.762 5.593 1.00 0.00 ATOM 723 CD2 PHE 92 65.096 21.418 6.177 1.00 0.00 ATOM 724 CE1 PHE 92 62.368 22.009 6.471 1.00 0.00 ATOM 725 CE2 PHE 92 64.288 20.650 7.039 1.00 0.00 ATOM 726 CZ PHE 92 62.921 20.958 7.190 1.00 0.00 ATOM 727 O PHE 92 64.527 24.736 1.727 1.00 0.00 ATOM 728 C PHE 92 65.470 24.053 2.122 1.00 0.00 ATOM 729 N ASP 93 66.733 24.274 1.760 1.00 0.00 ATOM 730 CA ASP 93 67.070 25.254 0.740 1.00 0.00 ATOM 731 CB ASP 93 68.592 25.305 0.505 1.00 0.00 ATOM 732 CG ASP 93 69.310 26.140 1.547 1.00 0.00 ATOM 733 OD1 ASP 93 68.628 26.884 2.295 1.00 0.00 ATOM 734 OD2 ASP 93 70.552 26.071 1.624 1.00 0.00 ATOM 735 O ASP 93 65.796 25.912 -1.177 1.00 0.00 ATOM 736 C ASP 93 66.338 24.986 -0.577 1.00 0.00 ATOM 737 N TYR 94 66.319 23.719 -1.000 1.00 0.00 ATOM 738 CA TYR 94 65.679 23.322 -2.238 1.00 0.00 ATOM 739 CB TYR 94 65.963 21.857 -2.568 1.00 0.00 ATOM 740 CG TYR 94 65.180 21.397 -3.768 1.00 0.00 ATOM 741 CD1 TYR 94 65.407 21.965 -5.034 1.00 0.00 ATOM 742 CD2 TYR 94 64.202 20.426 -3.648 1.00 0.00 ATOM 743 CE1 TYR 94 64.662 21.567 -6.153 1.00 0.00 ATOM 744 CE2 TYR 94 63.443 20.007 -4.766 1.00 0.00 ATOM 745 CZ TYR 94 63.682 20.587 -6.008 1.00 0.00 ATOM 746 OH TYR 94 62.962 20.185 -7.103 1.00 0.00 ATOM 747 O TYR 94 63.581 24.055 -3.131 1.00 0.00 ATOM 748 C TYR 94 64.174 23.566 -2.183 1.00 0.00 ATOM 749 N ILE 95 63.573 23.215 -1.062 1.00 0.00 ATOM 750 CA ILE 95 62.154 23.412 -0.826 1.00 0.00 ATOM 751 CB ILE 95 61.742 22.768 0.535 1.00 0.00 ATOM 752 CG1 ILE 95 61.688 21.255 0.397 1.00 0.00 ATOM 753 CG2 ILE 95 60.383 23.242 1.050 1.00 0.00 ATOM 754 CD1 ILE 95 61.216 20.607 1.666 1.00 0.00 ATOM 755 O ILE 95 60.900 25.343 -1.437 1.00 0.00 ATOM 756 C ILE 95 61.877 24.909 -0.871 1.00 0.00 ATOM 757 N ASP 96 62.767 25.697 -0.293 1.00 0.00 ATOM 758 CA ASP 96 62.588 27.130 -0.290 1.00 0.00 ATOM 759 CB ASP 96 63.679 27.805 0.529 1.00 0.00 ATOM 760 CG ASP 96 63.352 29.255 0.822 1.00 0.00 ATOM 761 OD1 ASP 96 64.175 30.132 0.475 1.00 0.00 ATOM 762 OD2 ASP 96 62.244 29.514 1.367 1.00 0.00 ATOM 763 O ASP 96 61.844 28.700 -1.954 1.00 0.00 ATOM 764 C ASP 96 62.554 27.715 -1.706 1.00 0.00 ATOM 765 N SER 97 63.318 27.107 -2.621 1.00 0.00 ATOM 766 CA SER 97 63.325 27.507 -4.025 1.00 0.00 ATOM 767 CB SER 97 64.530 26.915 -4.766 1.00 0.00 ATOM 768 OG SER 97 64.389 25.530 -4.983 1.00 0.00 ATOM 769 O SER 97 61.717 27.709 -5.778 1.00 0.00 ATOM 770 C SER 97 62.034 27.137 -4.744 1.00 0.00 ATOM 771 N LEU 98 61.289 26.181 -4.192 1.00 0.00 ATOM 772 CA LEU 98 60.089 25.700 -4.834 1.00 0.00 ATOM 773 CB LEU 98 59.785 24.280 -4.376 1.00 0.00 ATOM 774 CG LEU 98 60.717 23.177 -4.864 1.00 0.00 ATOM 775 CD1 LEU 98 60.221 21.855 -4.330 1.00 0.00 ATOM 776 CD2 LEU 98 60.766 23.148 -6.366 1.00 0.00 ATOM 777 O LEU 98 57.893 26.483 -5.269 1.00 0.00 ATOM 778 C LEU 98 58.886 26.588 -4.573 1.00 0.00 ATOM 779 N ARG 99 58.970 27.469 -3.578 1.00 0.00 ATOM 780 CA ARG 99 57.760 28.147 -3.076 1.00 0.00 ATOM 781 CB ARG 99 57.986 28.885 -1.753 1.00 0.00 ATOM 782 CG ARG 99 56.651 29.326 -1.094 1.00 0.00 ATOM 783 CD ARG 99 56.056 28.286 -0.126 1.00 0.00 ATOM 784 NE ARG 99 56.325 28.698 1.251 1.00 0.00 ATOM 785 CZ ARG 99 55.397 29.066 2.128 1.00 0.00 ATOM 786 NH1 ARG 99 54.113 29.033 1.797 1.00 0.00 ATOM 787 NH2 ARG 99 55.748 29.440 3.353 1.00 0.00 ATOM 788 O ARG 99 55.817 29.133 -4.060 1.00 0.00 ATOM 789 C ARG 99 57.053 29.070 -4.057 1.00 0.00 ATOM 790 N PRO 100 57.801 29.808 -4.874 1.00 0.00 ATOM 791 CA PRO 100 57.026 30.633 -5.778 1.00 0.00 ATOM 792 CB PRO 100 58.082 31.556 -6.402 1.00 0.00 ATOM 793 CG PRO 100 59.293 31.429 -5.530 1.00 0.00 ATOM 794 CD PRO 100 59.246 30.030 -5.026 1.00 0.00 ATOM 795 O PRO 100 55.334 30.384 -7.439 1.00 0.00 ATOM 796 C PRO 100 56.278 29.853 -6.868 1.00 0.00 ATOM 797 N ASP 101 56.688 28.622 -7.160 1.00 0.00 ATOM 798 CA ASP 101 56.123 27.889 -8.296 1.00 0.00 ATOM 799 CB ASP 101 57.237 27.234 -9.123 1.00 0.00 ATOM 800 CG ASP 101 58.144 28.255 -9.835 1.00 0.00 ATOM 801 OD1 ASP 101 58.040 28.385 -11.063 1.00 0.00 ATOM 802 OD2 ASP 101 58.980 28.918 -9.183 1.00 0.00 ATOM 803 O ASP 101 54.381 26.314 -8.723 1.00 0.00 ATOM 804 C ASP 101 55.099 26.831 -7.892 1.00 0.00 ATOM 805 N TYR 102 55.061 26.497 -6.615 1.00 0.00 ATOM 806 CA TYR 102 54.255 25.388 -6.116 1.00 0.00 ATOM 807 CB TYR 102 55.100 24.103 -5.922 1.00 0.00 ATOM 808 CG TYR 102 55.684 23.594 -7.207 1.00 0.00 ATOM 809 CD1 TYR 102 54.922 22.803 -8.073 1.00 0.00 ATOM 810 CD2 TYR 102 56.999 23.924 -7.576 1.00 0.00 ATOM 811 CE1 TYR 102 55.439 22.356 -9.272 1.00 0.00 ATOM 812 CE2 TYR 102 57.540 23.487 -8.794 1.00 0.00 ATOM 813 CZ TYR 102 56.744 22.706 -9.648 1.00 0.00 ATOM 814 OH TYR 102 57.260 22.265 -10.862 1.00 0.00 ATOM 815 O TYR 102 54.245 26.622 -4.056 1.00 0.00 ATOM 816 C TYR 102 53.676 25.780 -4.786 1.00 0.00 ATOM 817 N ARG 103 52.557 25.142 -4.475 1.00 0.00 ATOM 818 CA ARG 103 52.046 25.120 -3.139 1.00 0.00 ATOM 819 CB ARG 103 50.534 25.011 -3.188 1.00 0.00 ATOM 820 CG ARG 103 49.891 26.271 -3.708 1.00 0.00 ATOM 821 CD ARG 103 48.388 26.170 -3.656 1.00 0.00 ATOM 822 NE ARG 103 47.851 26.280 -2.300 1.00 0.00 ATOM 823 CZ ARG 103 46.747 25.659 -1.885 1.00 0.00 ATOM 824 NH1 ARG 103 46.074 24.853 -2.710 1.00 0.00 ATOM 825 NH2 ARG 103 46.330 25.820 -0.633 1.00 0.00 ATOM 826 O ARG 103 52.713 22.817 -2.921 1.00 0.00 ATOM 827 C ARG 103 52.695 23.938 -2.406 1.00 0.00 ATOM 828 N LEU 104 53.247 24.207 -1.224 1.00 0.00 ATOM 829 CA LEU 104 54.066 23.262 -0.492 1.00 0.00 ATOM 830 CB LEU 104 55.467 23.839 -0.264 1.00 0.00 ATOM 831 CG LEU 104 56.231 24.215 -1.529 1.00 0.00 ATOM 832 CD1 LEU 104 57.567 24.821 -1.177 1.00 0.00 ATOM 833 CD2 LEU 104 56.386 23.010 -2.479 1.00 0.00 ATOM 834 O LEU 104 53.003 23.874 1.547 1.00 0.00 ATOM 835 C LEU 104 53.440 22.969 0.843 1.00 0.00 ATOM 836 N PHE 105 53.403 21.689 1.192 1.00 0.00 ATOM 837 CA PHE 105 52.766 21.229 2.412 1.00 0.00 ATOM 838 CB PHE 105 51.388 20.668 2.082 1.00 0.00 ATOM 839 CG PHE 105 50.517 21.650 1.353 1.00 0.00 ATOM 840 CD1 PHE 105 49.779 22.606 2.061 1.00 0.00 ATOM 841 CD2 PHE 105 50.467 21.650 -0.041 1.00 0.00 ATOM 842 CE1 PHE 105 49.006 23.538 1.388 1.00 0.00 ATOM 843 CE2 PHE 105 49.673 22.565 -0.714 1.00 0.00 ATOM 844 CZ PHE 105 48.944 23.509 0.000 1.00 0.00 ATOM 845 O PHE 105 54.407 19.503 2.462 1.00 0.00 ATOM 846 C PHE 105 53.635 20.190 3.104 1.00 0.00 ATOM 847 N LEU 106 53.524 20.120 4.425 1.00 0.00 ATOM 848 CA LEU 106 54.114 19.036 5.190 1.00 0.00 ATOM 849 CB LEU 106 54.996 19.577 6.321 1.00 0.00 ATOM 850 CG LEU 106 55.873 18.558 7.074 1.00 0.00 ATOM 851 CD1 LEU 106 57.212 18.317 6.373 1.00 0.00 ATOM 852 CD2 LEU 106 56.091 18.989 8.553 1.00 0.00 ATOM 853 O LEU 106 52.015 18.617 6.310 1.00 0.00 ATOM 854 C LEU 106 53.000 18.131 5.739 1.00 0.00 ATOM 855 N LEU 107 53.134 16.822 5.545 1.00 0.00 ATOM 856 CA LEU 107 52.213 15.898 6.196 1.00 0.00 ATOM 857 CB LEU 107 51.243 15.203 5.223 1.00 0.00 ATOM 858 CG LEU 107 50.339 14.133 5.845 1.00 0.00 ATOM 859 CD1 LEU 107 49.413 14.789 6.840 1.00 0.00 ATOM 860 CD2 LEU 107 49.531 13.286 4.804 1.00 0.00 ATOM 861 O LEU 107 53.728 14.036 6.414 1.00 0.00 ATOM 862 C LEU 107 53.063 14.899 6.979 1.00 0.00 ATOM 863 N SER 108 52.977 15.008 8.300 1.00 0.00 ATOM 864 CA SER 108 53.926 14.338 9.155 1.00 0.00 ATOM 865 CB SER 108 54.993 15.359 9.576 1.00 0.00 ATOM 866 OG SER 108 55.782 14.844 10.600 1.00 0.00 ATOM 867 O SER 108 52.486 14.297 11.058 1.00 0.00 ATOM 868 C SER 108 53.291 13.678 10.370 1.00 0.00 ATOM 869 N ASN 109 53.647 12.414 10.613 1.00 0.00 ATOM 870 CA ASN 109 53.425 11.805 11.934 1.00 0.00 ATOM 871 CB ASN 109 53.374 10.281 11.911 1.00 0.00 ATOM 872 CG ASN 109 52.085 9.749 11.385 1.00 0.00 ATOM 873 ND2 ASN 109 52.036 8.444 11.215 1.00 0.00 ATOM 874 OD1 ASN 109 51.132 10.488 11.121 1.00 0.00 ATOM 875 O ASN 109 55.712 11.915 12.624 1.00 0.00 ATOM 876 C ASN 109 54.547 12.248 12.849 1.00 0.00 ATOM 877 N THR 110 54.187 12.971 13.902 1.00 0.00 ATOM 878 CA THR 110 55.191 13.571 14.741 1.00 0.00 ATOM 879 CB THR 110 55.763 14.867 14.063 1.00 0.00 ATOM 880 CG2 THR 110 54.796 16.054 14.165 1.00 0.00 ATOM 881 OG1 THR 110 57.026 15.210 14.645 1.00 0.00 ATOM 882 O THR 110 53.432 13.641 16.384 1.00 0.00 ATOM 883 C THR 110 54.624 13.820 16.136 1.00 0.00 ATOM 884 N ASN 111 55.489 14.235 17.054 1.00 0.00 ATOM 885 CA ASN 111 55.081 14.366 18.421 1.00 0.00 ATOM 886 CB ASN 111 55.860 13.369 19.245 1.00 0.00 ATOM 887 CG ASN 111 57.338 13.552 19.103 1.00 0.00 ATOM 888 ND2 ASN 111 57.969 12.666 18.352 1.00 0.00 ATOM 889 OD1 ASN 111 57.922 14.502 19.660 1.00 0.00 ATOM 890 O ASN 111 56.030 16.518 18.100 1.00 0.00 ATOM 891 C ASN 111 55.347 15.816 18.824 1.00 0.00 ATOM 892 N PRO 112 54.765 16.284 19.949 1.00 0.00 ATOM 893 CA PRO 112 54.996 17.655 20.455 1.00 0.00 ATOM 894 CB PRO 112 54.266 17.661 21.800 1.00 0.00 ATOM 895 CG PRO 112 53.290 16.620 21.690 1.00 0.00 ATOM 896 CD PRO 112 53.807 15.554 20.786 1.00 0.00 ATOM 897 O PRO 112 56.747 19.276 20.573 1.00 0.00 ATOM 898 C PRO 112 56.457 18.082 20.680 1.00 0.00 ATOM 899 N TYR 113 57.336 17.135 21.031 1.00 0.00 ATOM 900 CA TYR 113 58.751 17.415 21.296 1.00 0.00 ATOM 901 CB TYR 113 59.485 16.191 21.859 1.00 0.00 ATOM 902 CG TYR 113 58.867 15.581 23.093 1.00 0.00 ATOM 903 CD1 TYR 113 59.061 16.152 24.355 1.00 0.00 ATOM 904 CD2 TYR 113 58.080 14.424 23.003 1.00 0.00 ATOM 905 CE1 TYR 113 58.484 15.586 25.486 1.00 0.00 ATOM 906 CE2 TYR 113 57.511 13.860 24.129 1.00 0.00 ATOM 907 CZ TYR 113 57.713 14.439 25.362 1.00 0.00 ATOM 908 OH TYR 113 57.145 13.864 26.468 1.00 0.00 ATOM 909 O TYR 113 60.112 18.895 19.992 1.00 0.00 ATOM 910 C TYR 113 59.445 17.861 20.013 1.00 0.00 ATOM 911 N VAL 114 59.283 17.085 18.947 1.00 0.00 ATOM 912 CA VAL 114 59.911 17.418 17.676 1.00 0.00 ATOM 913 CB VAL 114 59.752 16.265 16.637 1.00 0.00 ATOM 914 CG1 VAL 114 60.251 16.684 15.246 1.00 0.00 ATOM 915 CG2 VAL 114 60.541 15.054 17.107 1.00 0.00 ATOM 916 O VAL 114 60.086 19.595 16.673 1.00 0.00 ATOM 917 C VAL 114 59.355 18.753 17.175 1.00 0.00 ATOM 918 N LEU 115 58.058 18.947 17.368 1.00 0.00 ATOM 919 CA LEU 115 57.413 20.193 17.010 1.00 0.00 ATOM 920 CB LEU 115 55.901 20.067 17.135 1.00 0.00 ATOM 921 CG LEU 115 55.194 19.405 15.959 1.00 0.00 ATOM 922 CD1 LEU 115 53.679 19.476 16.192 1.00 0.00 ATOM 923 CD2 LEU 115 55.604 20.071 14.629 1.00 0.00 ATOM 924 O LEU 115 58.109 22.461 17.240 1.00 0.00 ATOM 925 C LEU 115 57.928 21.384 17.814 1.00 0.00 ATOM 926 N ASP 116 58.167 21.202 19.116 1.00 0.00 ATOM 927 CA ASP 116 58.824 22.226 19.902 1.00 0.00 ATOM 928 CB ASP 116 58.944 21.818 21.386 1.00 0.00 ATOM 929 CG ASP 116 57.577 21.849 22.151 1.00 0.00 ATOM 930 OD1 ASP 116 56.532 22.271 21.584 1.00 0.00 ATOM 931 OD2 ASP 116 57.532 21.427 23.343 1.00 0.00 ATOM 932 O ASP 116 60.545 23.770 19.177 1.00 0.00 ATOM 933 C ASP 116 60.196 22.585 19.281 1.00 0.00 ATOM 934 N LEU 117 60.962 21.583 18.855 1.00 0.00 ATOM 935 CA LEU 117 62.262 21.845 18.231 1.00 0.00 ATOM 936 CB LEU 117 63.089 20.559 18.031 1.00 0.00 ATOM 937 CG LEU 117 64.332 20.792 17.130 1.00 0.00 ATOM 938 CD1 LEU 117 65.299 21.830 17.690 1.00 0.00 ATOM 939 CD2 LEU 117 65.056 19.506 16.757 1.00 0.00 ATOM 940 O LEU 117 62.770 23.579 16.627 1.00 0.00 ATOM 941 C LEU 117 62.102 22.574 16.895 1.00 0.00 ATOM 942 N ALA 118 61.208 22.046 16.073 1.00 0.00 ATOM 943 CA ALA 118 60.947 22.560 14.732 1.00 0.00 ATOM 944 CB ALA 118 59.993 21.623 13.982 1.00 0.00 ATOM 945 O ALA 118 60.634 24.687 13.710 1.00 0.00 ATOM 946 C ALA 118 60.428 23.995 14.693 1.00 0.00 ATOM 947 N MET 119 59.765 24.430 15.755 1.00 0.00 ATOM 948 CA MET 119 59.212 25.776 15.785 1.00 0.00 ATOM 949 CB MET 119 57.759 25.747 16.283 1.00 0.00 ATOM 950 CG MET 119 56.832 24.872 15.427 1.00 0.00 ATOM 951 SD MET 119 56.663 25.515 13.572 1.00 0.00 ATOM 952 CE MET 119 55.489 27.044 13.961 1.00 0.00 ATOM 953 O MET 119 59.639 27.836 16.936 1.00 0.00 ATOM 954 C MET 119 60.079 26.738 16.596 1.00 0.00 ATOM 955 N SER 120 61.312 26.321 16.896 1.00 0.00 ATOM 956 CA SER 120 62.281 27.176 17.556 1.00 0.00 ATOM 957 CB SER 120 62.984 26.427 18.696 1.00 0.00 ATOM 958 OG SER 120 63.972 25.551 18.207 1.00 0.00 ATOM 959 O SER 120 63.345 27.317 15.401 1.00 0.00 ATOM 960 C SER 120 63.293 27.753 16.552 1.00 0.00 ATOM 961 N PRO 121 64.058 28.779 16.966 1.00 0.00 ATOM 962 CA PRO 121 65.149 29.254 16.104 1.00 0.00 ATOM 963 CB PRO 121 65.426 30.665 16.633 1.00 0.00 ATOM 964 CG PRO 121 65.031 30.618 18.090 1.00 0.00 ATOM 965 CD PRO 121 63.908 29.592 18.191 1.00 0.00 ATOM 966 O PRO 121 67.474 28.780 15.619 1.00 0.00 ATOM 967 C PRO 121 66.426 28.376 16.130 1.00 0.00 ATOM 968 N ARG 122 66.316 27.172 16.679 1.00 0.00 ATOM 969 CA ARG 122 67.441 26.239 16.763 1.00 0.00 ATOM 970 CB ARG 122 67.559 25.714 18.192 1.00 0.00 ATOM 971 CG ARG 122 67.635 26.829 19.197 1.00 0.00 ATOM 972 CD ARG 122 68.656 27.899 18.747 1.00 0.00 ATOM 973 NE ARG 122 68.915 28.839 19.828 1.00 0.00 ATOM 974 CZ ARG 122 69.833 29.799 19.793 1.00 0.00 ATOM 975 NH1 ARG 122 69.976 30.587 20.846 1.00 0.00 ATOM 976 NH2 ARG 122 70.599 29.969 18.714 1.00 0.00 ATOM 977 O ARG 122 68.069 24.124 15.802 1.00 0.00 ATOM 978 C ARG 122 67.262 25.061 15.808 1.00 0.00 ATOM 979 N PHE 123 66.202 25.095 15.016 1.00 0.00 ATOM 980 CA PHE 123 65.928 23.983 14.131 1.00 0.00 ATOM 981 CB PHE 123 64.478 24.043 13.652 1.00 0.00 ATOM 982 CG PHE 123 64.092 22.932 12.713 1.00 0.00 ATOM 983 CD1 PHE 123 64.247 21.604 13.079 1.00 0.00 ATOM 984 CD2 PHE 123 63.533 23.228 11.472 1.00 0.00 ATOM 985 CE1 PHE 123 63.878 20.604 12.219 1.00 0.00 ATOM 986 CE2 PHE 123 63.170 22.241 10.610 1.00 0.00 ATOM 987 CZ PHE 123 63.333 20.926 10.967 1.00 0.00 ATOM 988 O PHE 123 67.454 22.869 12.675 1.00 0.00 ATOM 989 C PHE 123 66.938 23.929 12.975 1.00 0.00 ATOM 990 N LEU 124 67.246 25.087 12.386 1.00 0.00 ATOM 991 CA LEU 124 68.122 25.203 11.211 1.00 0.00 ATOM 992 CB LEU 124 67.309 25.506 9.956 1.00 0.00 ATOM 993 CG LEU 124 66.568 24.348 9.279 1.00 0.00 ATOM 994 CD1 LEU 124 65.400 24.867 8.485 1.00 0.00 ATOM 995 CD2 LEU 124 67.508 23.569 8.374 1.00 0.00 ATOM 996 O LEU 124 68.860 27.316 12.060 1.00 0.00 ATOM 997 C LEU 124 69.139 26.311 11.383 1.00 0.00 ATOM 998 N PRO 125 70.319 26.164 10.744 1.00 0.00 ATOM 999 CA PRO 125 71.346 27.181 10.922 1.00 0.00 ATOM 1000 CB PRO 125 72.432 26.761 9.924 1.00 0.00 ATOM 1001 CG PRO 125 72.276 25.293 9.826 1.00 0.00 ATOM 1002 CD PRO 125 70.776 25.095 9.833 1.00 0.00 ATOM 1003 O PRO 125 71.277 29.553 11.139 1.00 0.00 ATOM 1004 C PRO 125 70.815 28.559 10.582 1.00 0.00 ATOM 1005 N SER 126 69.824 28.605 9.697 1.00 0.00 ATOM 1006 CA SER 126 69.283 29.864 9.233 1.00 0.00 ATOM 1007 CB SER 126 68.530 29.657 7.918 1.00 0.00 ATOM 1008 OG SER 126 67.410 28.797 8.085 1.00 0.00 ATOM 1009 O SER 126 68.103 31.713 10.151 1.00 0.00 ATOM 1010 C SER 126 68.386 30.531 10.268 1.00 0.00 ATOM 1011 N GLY 127 67.946 29.771 11.274 1.00 0.00 ATOM 1012 CA GLY 127 66.974 30.252 12.260 1.00 0.00 ATOM 1013 O GLY 127 64.654 30.912 12.270 1.00 0.00 ATOM 1014 C GLY 127 65.548 30.257 11.721 1.00 0.00 ATOM 1015 N ARG 128 65.320 29.528 10.639 1.00 0.00 ATOM 1016 CA ARG 128 64.003 29.504 10.045 1.00 0.00 ATOM 1017 CB ARG 128 64.103 29.428 8.524 1.00 0.00 ATOM 1018 CG ARG 128 64.324 30.826 7.936 1.00 0.00 ATOM 1019 CD ARG 128 64.116 30.906 6.462 1.00 0.00 ATOM 1020 NE ARG 128 62.826 30.358 6.050 1.00 0.00 ATOM 1021 CZ ARG 128 62.536 30.039 4.796 1.00 0.00 ATOM 1022 NH1 ARG 128 61.366 29.524 4.508 1.00 0.00 ATOM 1023 NH2 ARG 128 63.424 30.241 3.820 1.00 0.00 ATOM 1024 O ARG 128 63.670 27.297 10.913 1.00 0.00 ATOM 1025 C ARG 128 63.166 28.397 10.649 1.00 0.00 ATOM 1026 N THR 129 61.900 28.704 10.915 1.00 0.00 ATOM 1027 CA THR 129 61.018 27.738 11.537 1.00 0.00 ATOM 1028 CB THR 129 59.824 28.403 12.264 1.00 0.00 ATOM 1029 CG2 THR 129 60.296 29.214 13.459 1.00 0.00 ATOM 1030 OG1 THR 129 59.131 29.273 11.356 1.00 0.00 ATOM 1031 O THR 129 60.480 27.177 9.271 1.00 0.00 ATOM 1032 C THR 129 60.499 26.817 10.454 1.00 0.00 ATOM 1033 N LEU 130 60.090 25.622 10.868 1.00 0.00 ATOM 1034 CA LEU 130 59.545 24.631 9.978 1.00 0.00 ATOM 1035 CB LEU 130 59.177 23.397 10.786 1.00 0.00 ATOM 1036 CG LEU 130 58.539 22.243 10.024 1.00 0.00 ATOM 1037 CD1 LEU 130 59.610 21.520 9.241 1.00 0.00 ATOM 1038 CD2 LEU 130 57.800 21.310 10.961 1.00 0.00 ATOM 1039 O LEU 130 58.164 24.944 8.027 1.00 0.00 ATOM 1040 C LEU 130 58.324 25.170 9.239 1.00 0.00 ATOM 1041 N ASP 131 57.481 25.896 9.966 1.00 0.00 ATOM 1042 CA ASP 131 56.246 26.422 9.419 1.00 0.00 ATOM 1043 CB ASP 131 55.434 27.078 10.541 1.00 0.00 ATOM 1044 CG ASP 131 53.955 26.802 10.429 1.00 0.00 ATOM 1045 OD1 ASP 131 53.399 26.053 11.271 1.00 0.00 ATOM 1046 OD2 ASP 131 53.340 27.338 9.486 1.00 0.00 ATOM 1047 O ASP 131 55.736 27.520 7.321 1.00 0.00 ATOM 1048 C ASP 131 56.528 27.395 8.256 1.00 0.00 ATOM 1049 N SER 132 57.671 28.060 8.302 1.00 0.00 ATOM 1050 CA SER 132 58.018 29.035 7.269 1.00 0.00 ATOM 1051 CB SER 132 59.179 29.917 7.741 1.00 0.00 ATOM 1052 OG SER 132 60.422 29.267 7.523 1.00 0.00 ATOM 1053 O SER 132 58.493 29.250 4.930 1.00 0.00 ATOM 1054 C SER 132 58.338 28.478 5.860 1.00 0.00 ATOM 1055 N PHE 133 58.466 27.163 5.696 1.00 0.00 ATOM 1056 CA PHE 133 58.746 26.592 4.359 1.00 0.00 ATOM 1057 CB PHE 133 59.733 25.428 4.438 1.00 0.00 ATOM 1058 CG PHE 133 61.113 25.826 4.875 1.00 0.00 ATOM 1059 CD1 PHE 133 62.077 26.190 3.944 1.00 0.00 ATOM 1060 CD2 PHE 133 61.454 25.827 6.225 1.00 0.00 ATOM 1061 CE1 PHE 133 63.376 26.571 4.368 1.00 0.00 ATOM 1062 CE2 PHE 133 62.724 26.197 6.645 1.00 0.00 ATOM 1063 CZ PHE 133 63.694 26.562 5.719 1.00 0.00 ATOM 1064 O PHE 133 57.493 25.831 2.462 1.00 0.00 ATOM 1065 C PHE 133 57.473 26.120 3.656 1.00 0.00 ATOM 1066 N PHE 134 56.369 26.032 4.382 1.00 0.00 ATOM 1067 CA PHE 134 55.173 25.437 3.807 1.00 0.00 ATOM 1068 CB PHE 134 54.834 24.141 4.551 1.00 0.00 ATOM 1069 CG PHE 134 56.009 23.205 4.640 1.00 0.00 ATOM 1070 CD1 PHE 134 56.360 22.404 3.558 1.00 0.00 ATOM 1071 CD2 PHE 134 56.812 23.179 5.765 1.00 0.00 ATOM 1072 CE1 PHE 134 57.461 21.563 3.610 1.00 0.00 ATOM 1073 CE2 PHE 134 57.916 22.326 5.823 1.00 0.00 ATOM 1074 CZ PHE 134 58.235 21.529 4.739 1.00 0.00 ATOM 1075 O PHE 134 53.987 27.347 4.624 1.00 0.00 ATOM 1076 C PHE 134 54.024 26.409 3.813 1.00 0.00 ATOM 1077 N ASP 135 53.099 26.207 2.885 1.00 0.00 ATOM 1078 CA ASP 135 51.867 26.956 2.937 1.00 0.00 ATOM 1079 CB ASP 135 51.076 26.804 1.642 1.00 0.00 ATOM 1080 CG ASP 135 51.780 27.486 0.476 1.00 0.00 ATOM 1081 OD1 ASP 135 51.834 28.736 0.448 1.00 0.00 ATOM 1082 OD2 ASP 135 52.330 26.781 -0.389 1.00 0.00 ATOM 1083 O ASP 135 50.553 27.368 4.891 1.00 0.00 ATOM 1084 C ASP 135 51.113 26.529 4.182 1.00 0.00 ATOM 1085 N LYS 136 51.170 25.237 4.480 1.00 0.00 ATOM 1086 CA LYS 136 50.660 24.702 5.739 1.00 0.00 ATOM 1087 CB LYS 136 49.136 24.548 5.700 1.00 0.00 ATOM 1088 CG LYS 136 48.519 24.307 7.067 1.00 0.00 ATOM 1089 CD LYS 136 47.149 24.955 7.170 1.00 0.00 ATOM 1090 CE LYS 136 46.515 24.713 8.520 1.00 0.00 ATOM 1091 NZ LYS 136 45.053 25.151 8.527 1.00 0.00 ATOM 1092 O LYS 136 51.678 22.540 5.373 1.00 0.00 ATOM 1093 C LYS 136 51.319 23.389 6.187 1.00 0.00 ATOM 1094 N VAL 137 51.445 23.263 7.507 1.00 0.00 ATOM 1095 CA VAL 137 51.917 22.072 8.192 1.00 0.00 ATOM 1096 CB VAL 137 52.935 22.459 9.298 1.00 0.00 ATOM 1097 CG1 VAL 137 53.317 21.256 10.151 1.00 0.00 ATOM 1098 CG2 VAL 137 54.186 23.072 8.644 1.00 0.00 ATOM 1099 O VAL 137 49.908 21.750 9.525 1.00 0.00 ATOM 1100 C VAL 137 50.744 21.253 8.754 1.00 0.00 ATOM 1101 N TYR 138 50.692 19.998 8.322 1.00 0.00 ATOM 1102 CA TYR 138 49.742 19.034 8.803 1.00 0.00 ATOM 1103 CB TYR 138 48.965 18.395 7.626 1.00 0.00 ATOM 1104 CG TYR 138 48.156 19.429 6.833 1.00 0.00 ATOM 1105 CD1 TYR 138 46.927 19.920 7.314 1.00 0.00 ATOM 1106 CD2 TYR 138 48.633 19.933 5.608 1.00 0.00 ATOM 1107 CE1 TYR 138 46.207 20.882 6.594 1.00 0.00 ATOM 1108 CE2 TYR 138 47.908 20.882 4.873 1.00 0.00 ATOM 1109 CZ TYR 138 46.709 21.356 5.361 1.00 0.00 ATOM 1110 OH TYR 138 46.023 22.313 4.621 1.00 0.00 ATOM 1111 O TYR 138 51.184 17.111 9.205 1.00 0.00 ATOM 1112 C TYR 138 50.463 18.014 9.690 1.00 0.00 ATOM 1113 N ALA 139 50.254 18.164 10.997 1.00 0.00 ATOM 1114 CA ALA 139 50.960 17.355 11.999 1.00 0.00 ATOM 1115 CB ALA 139 51.701 18.258 12.989 1.00 0.00 ATOM 1116 O ALA 139 49.070 16.966 13.382 1.00 0.00 ATOM 1117 C ALA 139 49.995 16.467 12.751 1.00 0.00 ATOM 1118 N SER 140 50.239 15.159 12.703 1.00 0.00 ATOM 1119 CA SER 140 49.377 14.168 13.338 1.00 0.00 ATOM 1120 CB SER 140 50.085 12.812 13.379 1.00 0.00 ATOM 1121 OG SER 140 51.199 12.853 14.238 1.00 0.00 ATOM 1122 O SER 140 47.669 14.545 14.991 1.00 0.00 ATOM 1123 C SER 140 48.874 14.560 14.735 1.00 0.00 ATOM 1124 N CYS 141 49.783 14.943 15.624 1.00 0.00 ATOM 1125 CA CYS 141 49.407 15.280 17.007 1.00 0.00 ATOM 1126 CB CYS 141 50.636 15.329 17.945 1.00 0.00 ATOM 1127 SG CYS 141 51.964 16.472 17.433 1.00 0.00 ATOM 1128 O CYS 141 47.891 16.755 18.122 1.00 0.00 ATOM 1129 C CYS 141 48.585 16.562 17.125 1.00 0.00 ATOM 1130 N GLN 142 48.653 17.436 16.124 1.00 0.00 ATOM 1131 CA GLN 142 47.789 18.620 16.149 1.00 0.00 ATOM 1132 CB GLN 142 48.413 19.772 15.349 1.00 0.00 ATOM 1133 CG GLN 142 49.770 20.199 15.886 1.00 0.00 ATOM 1134 CD GLN 142 50.376 21.417 15.183 1.00 0.00 ATOM 1135 OE1 GLN 142 50.496 21.472 13.947 1.00 0.00 ATOM 1136 NE2 GLN 142 50.780 22.398 15.985 1.00 0.00 ATOM 1137 O GLN 142 45.445 19.018 15.892 1.00 0.00 ATOM 1138 C GLN 142 46.381 18.291 15.637 1.00 0.00 ATOM 1139 N MET 143 46.239 17.185 14.914 1.00 0.00 ATOM 1140 CA MET 143 45.022 16.935 14.182 1.00 0.00 ATOM 1141 CB MET 143 45.370 16.561 12.746 1.00 0.00 ATOM 1142 CG MET 143 46.056 17.670 11.974 1.00 0.00 ATOM 1143 SD MET 143 46.827 17.032 10.292 1.00 0.00 ATOM 1144 CE MET 143 45.213 17.167 9.174 1.00 0.00 ATOM 1145 O MET 143 42.974 15.735 14.532 1.00 0.00 ATOM 1146 C MET 143 44.154 15.863 14.840 1.00 0.00 ATOM 1147 N GLY 144 44.748 15.117 15.765 1.00 0.00 ATOM 1148 CA GLY 144 44.118 13.937 16.314 1.00 0.00 ATOM 1149 O GLY 144 43.044 12.013 15.401 1.00 0.00 ATOM 1150 C GLY 144 43.961 12.818 15.283 1.00 0.00 ATOM 1151 N LYS 145 44.833 12.768 14.268 1.00 0.00 ATOM 1152 CA LYS 145 44.770 11.711 13.250 1.00 0.00 ATOM 1153 CB LYS 145 43.977 12.133 11.997 1.00 0.00 ATOM 1154 CG LYS 145 42.615 12.769 12.214 1.00 0.00 ATOM 1155 CD LYS 145 42.053 13.265 10.905 1.00 0.00 ATOM 1156 CE LYS 145 40.527 13.368 10.960 1.00 0.00 ATOM 1157 NZ LYS 145 39.998 14.672 11.431 1.00 0.00 ATOM 1158 O LYS 145 47.134 12.112 13.141 1.00 0.00 ATOM 1159 C LYS 145 46.199 11.363 12.840 1.00 0.00 ATOM 1160 N TYR 146 46.377 10.240 12.152 1.00 0.00 ATOM 1161 CA TYR 146 47.724 9.768 11.846 1.00 0.00 ATOM 1162 CB TYR 146 48.340 8.941 13.010 1.00 0.00 ATOM 1163 CG TYR 146 47.484 7.771 13.477 1.00 0.00 ATOM 1164 CD1 TYR 146 46.410 7.972 14.384 1.00 0.00 ATOM 1165 CD2 TYR 146 47.725 6.469 13.022 1.00 0.00 ATOM 1166 CE1 TYR 146 45.603 6.910 14.815 1.00 0.00 ATOM 1167 CE2 TYR 146 46.900 5.393 13.445 1.00 0.00 ATOM 1168 CZ TYR 146 45.854 5.631 14.343 1.00 0.00 ATOM 1169 OH TYR 146 45.048 4.582 14.775 1.00 0.00 ATOM 1170 O TYR 146 46.759 8.262 10.315 1.00 0.00 ATOM 1171 C TYR 146 47.703 8.970 10.588 1.00 0.00 ATOM 1172 N LYS 147 48.765 9.097 9.820 1.00 0.00 ATOM 1173 CA LYS 147 49.016 8.217 8.694 1.00 0.00 ATOM 1174 CB LYS 147 50.242 8.692 7.940 1.00 0.00 ATOM 1175 CG LYS 147 50.089 10.060 7.344 1.00 0.00 ATOM 1176 CD LYS 147 51.343 10.479 6.546 1.00 0.00 ATOM 1177 CE LYS 147 52.459 10.849 7.491 1.00 0.00 ATOM 1178 NZ LYS 147 53.697 11.151 6.751 1.00 0.00 ATOM 1179 O LYS 147 49.827 6.683 10.332 1.00 0.00 ATOM 1180 C LYS 147 49.269 6.815 9.253 1.00 0.00 ATOM 1181 N PRO 148 48.899 5.776 8.498 1.00 0.00 ATOM 1182 CA PRO 148 48.382 5.842 7.121 1.00 0.00 ATOM 1183 CB PRO 148 48.939 4.548 6.492 1.00 0.00 ATOM 1184 CG PRO 148 49.033 3.564 7.674 1.00 0.00 ATOM 1185 CD PRO 148 49.026 4.385 8.964 1.00 0.00 ATOM 1186 O PRO 148 46.366 5.577 5.869 1.00 0.00 ATOM 1187 C PRO 148 46.859 5.906 6.935 1.00 0.00 ATOM 1188 N ASN 149 46.112 6.324 7.946 1.00 0.00 ATOM 1189 CA ASN 149 44.663 6.421 7.790 1.00 0.00 ATOM 1190 CB ASN 149 43.994 6.794 9.101 1.00 0.00 ATOM 1191 CG ASN 149 44.192 5.753 10.172 1.00 0.00 ATOM 1192 ND2 ASN 149 44.427 6.192 11.417 1.00 0.00 ATOM 1193 OD1 ASN 149 44.133 4.567 9.889 1.00 0.00 ATOM 1194 O ASN 149 45.064 8.477 6.633 1.00 0.00 ATOM 1195 C ASN 149 44.345 7.473 6.750 1.00 0.00 ATOM 1196 N GLU 150 43.272 7.232 6.005 1.00 0.00 ATOM 1197 CA GLU 150 42.765 8.176 5.009 1.00 0.00 ATOM 1198 CB GLU 150 41.675 7.523 4.128 1.00 0.00 ATOM 1199 CG GLU 150 42.246 6.480 3.202 1.00 0.00 ATOM 1200 CD GLU 150 41.240 5.778 2.337 1.00 0.00 ATOM 1201 OE1 GLU 150 40.047 6.172 2.299 1.00 0.00 ATOM 1202 OE2 GLU 150 41.655 4.813 1.654 1.00 0.00 ATOM 1203 O GLU 150 42.391 10.527 5.023 1.00 0.00 ATOM 1204 C GLU 150 42.249 9.469 5.628 1.00 0.00 ATOM 1205 N ASP 151 41.689 9.409 6.836 1.00 0.00 ATOM 1206 CA ASP 151 41.154 10.632 7.436 1.00 0.00 ATOM 1207 CB ASP 151 40.399 10.434 8.771 1.00 0.00 ATOM 1208 CG ASP 151 41.233 9.795 9.894 1.00 0.00 ATOM 1209 OD1 ASP 151 40.563 9.279 10.830 1.00 0.00 ATOM 1210 OD2 ASP 151 42.490 9.800 9.889 1.00 0.00 ATOM 1211 O ASP 151 41.758 12.927 7.183 1.00 0.00 ATOM 1212 C ASP 151 42.145 11.799 7.461 1.00 0.00 ATOM 1213 N ILE 152 43.419 11.530 7.721 1.00 0.00 ATOM 1214 CA ILE 152 44.391 12.624 7.807 1.00 0.00 ATOM 1215 CB ILE 152 45.707 12.235 8.575 1.00 0.00 ATOM 1216 CG1 ILE 152 46.419 13.523 9.072 1.00 0.00 ATOM 1217 CG2 ILE 152 46.615 11.259 7.717 1.00 0.00 ATOM 1218 CD1 ILE 152 47.757 13.342 9.851 1.00 0.00 ATOM 1219 O ILE 152 44.737 14.442 6.247 1.00 0.00 ATOM 1220 C ILE 152 44.663 13.222 6.400 1.00 0.00 ATOM 1221 N PHE 153 44.776 12.370 5.385 1.00 0.00 ATOM 1222 CA PHE 153 44.805 12.832 3.993 1.00 0.00 ATOM 1223 CB PHE 153 44.954 11.657 3.038 1.00 0.00 ATOM 1224 CG PHE 153 46.315 10.978 3.120 1.00 0.00 ATOM 1225 CD1 PHE 153 47.335 11.327 2.240 1.00 0.00 ATOM 1226 CD2 PHE 153 46.564 10.004 4.082 1.00 0.00 ATOM 1227 CE1 PHE 153 48.599 10.703 2.302 1.00 0.00 ATOM 1228 CE2 PHE 153 47.835 9.357 4.172 1.00 0.00 ATOM 1229 CZ PHE 153 48.854 9.708 3.284 1.00 0.00 ATOM 1230 O PHE 153 43.713 14.702 2.921 1.00 0.00 ATOM 1231 C PHE 153 43.579 13.666 3.608 1.00 0.00 ATOM 1232 N LEU 154 42.397 13.218 4.039 1.00 0.00 ATOM 1233 CA LEU 154 41.169 13.886 3.657 1.00 0.00 ATOM 1234 CB LEU 154 39.945 12.975 3.884 1.00 0.00 ATOM 1235 CG LEU 154 39.915 11.625 3.126 1.00 0.00 ATOM 1236 CD1 LEU 154 38.634 10.889 3.431 1.00 0.00 ATOM 1237 CD2 LEU 154 39.988 11.797 1.648 1.00 0.00 ATOM 1238 O LEU 154 40.542 16.217 3.674 1.00 0.00 ATOM 1239 C LEU 154 41.003 15.272 4.320 1.00 0.00 ATOM 1240 N GLU 155 41.388 15.387 5.593 1.00 0.00 ATOM 1241 CA GLU 155 41.398 16.674 6.268 1.00 0.00 ATOM 1242 CB GLU 155 41.819 16.527 7.734 1.00 0.00 ATOM 1243 CG GLU 155 41.588 17.811 8.544 1.00 0.00 ATOM 1244 CD GLU 155 41.886 17.680 10.044 1.00 0.00 ATOM 1245 OE1 GLU 155 41.687 16.577 10.583 1.00 0.00 ATOM 1246 OE2 GLU 155 42.289 18.678 10.698 1.00 0.00 ATOM 1247 O GLU 155 41.881 18.782 5.197 1.00 0.00 ATOM 1248 C GLU 155 42.305 17.660 5.505 1.00 0.00 ATOM 1249 N MET 156 43.520 17.205 5.172 1.00 0.00 ATOM 1250 CA MET 156 44.489 17.953 4.371 1.00 0.00 ATOM 1251 CB MET 156 45.757 17.119 4.131 1.00 0.00 ATOM 1252 CG MET 156 46.714 17.795 3.157 1.00 0.00 ATOM 1253 SD MET 156 48.449 16.913 2.984 1.00 0.00 ATOM 1254 CE MET 156 47.842 15.359 1.926 1.00 0.00 ATOM 1255 O MET 156 44.034 19.649 2.718 1.00 0.00 ATOM 1256 C MET 156 43.936 18.459 3.029 1.00 0.00 ATOM 1257 N ILE 157 43.373 17.547 2.243 1.00 0.00 ATOM 1258 CA ILE 157 42.652 17.883 0.995 1.00 0.00 ATOM 1259 CB ILE 157 42.087 16.594 0.342 1.00 0.00 ATOM 1260 CG1 ILE 157 43.242 15.636 -0.051 1.00 0.00 ATOM 1261 CG2 ILE 157 41.155 16.886 -0.842 1.00 0.00 ATOM 1262 CD1 ILE 157 42.741 14.197 -0.367 1.00 0.00 ATOM 1263 O ILE 157 41.585 19.956 0.476 1.00 0.00 ATOM 1264 C ILE 157 41.578 18.943 1.184 1.00 0.00 ATOM 1265 N ALA 158 40.647 18.719 2.121 1.00 0.00 ATOM 1266 CA ALA 158 39.605 19.699 2.429 1.00 0.00 ATOM 1267 CB ALA 158 38.684 19.176 3.515 1.00 0.00 ATOM 1268 O ALA 158 39.748 22.109 2.332 1.00 0.00 ATOM 1269 C ALA 158 40.189 21.069 2.830 1.00 0.00 ATOM 1270 N ASP 159 41.197 21.063 3.708 1.00 0.00 ATOM 1271 CA ASP 159 41.727 22.313 4.239 1.00 0.00 ATOM 1272 CB ASP 159 42.547 22.075 5.516 1.00 0.00 ATOM 1273 CG ASP 159 43.117 23.383 6.107 1.00 0.00 ATOM 1274 OD1 ASP 159 42.343 24.173 6.686 1.00 0.00 ATOM 1275 OD2 ASP 159 44.336 23.631 5.982 1.00 0.00 ATOM 1276 O ASP 159 42.447 24.331 3.157 1.00 0.00 ATOM 1277 C ASP 159 42.547 23.103 3.213 1.00 0.00 ATOM 1278 N SER 160 43.333 22.398 2.401 1.00 0.00 ATOM 1279 CA SER 160 44.225 23.035 1.423 1.00 0.00 ATOM 1280 CB SER 160 45.476 22.170 1.202 1.00 0.00 ATOM 1281 OG SER 160 45.088 20.981 0.518 1.00 0.00 ATOM 1282 O SER 160 44.021 24.154 -0.678 1.00 0.00 ATOM 1283 C SER 160 43.585 23.271 0.066 1.00 0.00 ATOM 1284 N GLY 161 42.596 22.451 -0.272 1.00 0.00 ATOM 1285 CA GLY 161 42.003 22.443 -1.609 1.00 0.00 ATOM 1286 O GLY 161 42.626 22.044 -3.880 1.00 0.00 ATOM 1287 C GLY 161 42.861 21.818 -2.702 1.00 0.00 ATOM 1288 N MET 162 43.856 21.032 -2.318 1.00 0.00 ATOM 1289 CA MET 162 44.693 20.333 -3.286 1.00 0.00 ATOM 1290 CB MET 162 45.964 19.808 -2.615 1.00 0.00 ATOM 1291 CG MET 162 45.721 18.699 -1.597 1.00 0.00 ATOM 1292 SD MET 162 47.370 18.087 -0.743 1.00 0.00 ATOM 1293 CE MET 162 47.996 19.701 0.150 1.00 0.00 ATOM 1294 O MET 162 43.247 18.396 -3.318 1.00 0.00 ATOM 1295 C MET 162 43.940 19.192 -3.969 1.00 0.00 ATOM 1296 N LYS 163 44.051 19.144 -5.292 1.00 0.00 ATOM 1297 CA LYS 163 43.624 17.980 -6.072 1.00 0.00 ATOM 1298 CB LYS 163 43.337 18.390 -7.517 1.00 0.00 ATOM 1299 CG LYS 163 42.266 19.456 -7.632 1.00 0.00 ATOM 1300 CD LYS 163 41.831 19.688 -9.057 1.00 0.00 ATOM 1301 CE LYS 163 41.134 21.027 -9.184 1.00 0.00 ATOM 1302 NZ LYS 163 40.585 21.252 -10.559 1.00 0.00 ATOM 1303 O LYS 163 45.897 17.206 -6.324 1.00 0.00 ATOM 1304 C LYS 163 44.730 16.916 -6.006 1.00 0.00 ATOM 1305 N PRO 164 44.391 15.700 -5.539 1.00 0.00 ATOM 1306 CA PRO 164 45.400 14.617 -5.479 1.00 0.00 ATOM 1307 CB PRO 164 44.587 13.392 -5.038 1.00 0.00 ATOM 1308 CG PRO 164 43.418 13.977 -4.299 1.00 0.00 ATOM 1309 CD PRO 164 43.082 15.265 -5.006 1.00 0.00 ATOM 1310 O PRO 164 47.354 14.142 -6.797 1.00 0.00 ATOM 1311 C PRO 164 46.143 14.368 -6.799 1.00 0.00 ATOM 1312 N GLU 165 45.443 14.429 -7.933 1.00 0.00 ATOM 1313 CA GLU 165 46.125 14.179 -9.190 1.00 0.00 ATOM 1314 CB GLU 165 45.158 13.787 -10.296 1.00 0.00 ATOM 1315 CG GLU 165 44.327 14.931 -10.847 1.00 0.00 ATOM 1316 CD GLU 165 42.992 15.096 -10.125 1.00 0.00 ATOM 1317 OE1 GLU 165 42.030 15.530 -10.823 1.00 0.00 ATOM 1318 OE2 GLU 165 42.921 14.774 -8.884 1.00 0.00 ATOM 1319 O GLU 165 47.755 15.217 -10.612 1.00 0.00 ATOM 1320 C GLU 165 47.043 15.325 -9.620 1.00 0.00 ATOM 1321 N GLU 166 47.037 16.416 -8.871 1.00 0.00 ATOM 1322 CA GLU 166 47.941 17.520 -9.157 1.00 0.00 ATOM 1323 CB GLU 166 47.163 18.823 -9.259 1.00 0.00 ATOM 1324 CG GLU 166 46.150 18.856 -10.396 1.00 0.00 ATOM 1325 CD GLU 166 45.562 20.241 -10.591 1.00 0.00 ATOM 1326 OE1 GLU 166 45.656 21.068 -9.653 1.00 0.00 ATOM 1327 OE2 GLU 166 45.018 20.511 -11.687 1.00 0.00 ATOM 1328 O GLU 166 49.751 18.610 -8.030 1.00 0.00 ATOM 1329 C GLU 166 49.006 17.639 -8.076 1.00 0.00 ATOM 1330 N THR 167 49.072 16.644 -7.207 1.00 0.00 ATOM 1331 CA THR 167 49.916 16.725 -6.025 1.00 0.00 ATOM 1332 CB THR 167 49.057 16.666 -4.726 1.00 0.00 ATOM 1333 CG2 THR 167 49.899 16.946 -3.522 1.00 0.00 ATOM 1334 OG1 THR 167 48.001 17.643 -4.813 1.00 0.00 ATOM 1335 O THR 167 50.637 14.468 -6.270 1.00 0.00 ATOM 1336 C THR 167 50.961 15.621 -6.013 1.00 0.00 ATOM 1337 N LEU 168 52.211 15.983 -5.712 1.00 0.00 ATOM 1338 CA LEU 168 53.275 14.997 -5.515 1.00 0.00 ATOM 1339 CB LEU 168 54.551 15.448 -6.230 1.00 0.00 ATOM 1340 CG LEU 168 55.818 14.622 -6.056 1.00 0.00 ATOM 1341 CD1 LEU 168 55.623 13.199 -6.594 1.00 0.00 ATOM 1342 CD2 LEU 168 56.985 15.328 -6.762 1.00 0.00 ATOM 1343 O LEU 168 53.741 15.723 -3.292 1.00 0.00 ATOM 1344 C LEU 168 53.507 14.771 -4.021 1.00 0.00 ATOM 1345 N PHE 169 53.405 13.520 -3.566 1.00 0.00 ATOM 1346 CA PHE 169 53.524 13.159 -2.129 1.00 0.00 ATOM 1347 CB PHE 169 52.315 12.309 -1.691 1.00 0.00 ATOM 1348 CG PHE 169 52.384 11.794 -0.240 1.00 0.00 ATOM 1349 CD1 PHE 169 52.192 12.660 0.842 1.00 0.00 ATOM 1350 CD2 PHE 169 52.607 10.438 0.028 1.00 0.00 ATOM 1351 CE1 PHE 169 52.236 12.185 2.195 1.00 0.00 ATOM 1352 CE2 PHE 169 52.647 9.949 1.342 1.00 0.00 ATOM 1353 CZ PHE 169 52.463 10.824 2.440 1.00 0.00 ATOM 1354 O PHE 169 55.074 11.380 -2.521 1.00 0.00 ATOM 1355 C PHE 169 54.825 12.417 -1.895 1.00 0.00 ATOM 1356 N ILE 170 55.693 12.971 -1.040 1.00 0.00 ATOM 1357 CA ILE 170 57.055 12.428 -0.847 1.00 0.00 ATOM 1358 CB ILE 170 58.149 13.464 -1.210 1.00 0.00 ATOM 1359 CG1 ILE 170 57.925 14.016 -2.627 1.00 0.00 ATOM 1360 CG2 ILE 170 59.590 12.865 -1.047 1.00 0.00 ATOM 1361 CD1 ILE 170 58.719 15.308 -2.961 1.00 0.00 ATOM 1362 O ILE 170 57.202 12.681 1.542 1.00 0.00 ATOM 1363 C ILE 170 57.168 11.905 0.570 1.00 0.00 ATOM 1364 N ASP 171 57.175 10.578 0.701 1.00 0.00 ATOM 1365 CA ASP 171 57.148 9.928 2.027 1.00 0.00 ATOM 1366 CB ASP 171 55.708 9.676 2.487 1.00 0.00 ATOM 1367 CG ASP 171 55.572 9.410 4.004 1.00 0.00 ATOM 1368 OD1 ASP 171 56.396 8.686 4.590 1.00 0.00 ATOM 1369 OD2 ASP 171 54.600 9.904 4.635 1.00 0.00 ATOM 1370 O ASP 171 57.802 7.915 0.964 1.00 0.00 ATOM 1371 C ASP 171 57.928 8.623 1.938 1.00 0.00 ATOM 1372 N ASP 172 58.721 8.326 2.962 1.00 0.00 ATOM 1373 CA ASP 172 59.577 7.148 3.008 1.00 0.00 ATOM 1374 CB ASP 172 60.844 7.441 3.862 1.00 0.00 ATOM 1375 CG ASP 172 60.501 7.853 5.331 1.00 0.00 ATOM 1376 OD1 ASP 172 59.590 8.714 5.566 1.00 0.00 ATOM 1377 OD2 ASP 172 61.165 7.311 6.249 1.00 0.00 ATOM 1378 O ASP 172 59.362 4.851 3.640 1.00 0.00 ATOM 1379 C ASP 172 58.832 5.963 3.598 1.00 0.00 ATOM 1380 N GLY 173 57.619 6.222 4.079 1.00 0.00 ATOM 1381 CA GLY 173 56.748 5.204 4.654 1.00 0.00 ATOM 1382 O GLY 173 54.964 5.070 3.067 1.00 0.00 ATOM 1383 C GLY 173 55.919 4.492 3.617 1.00 0.00 ATOM 1384 N PRO 174 56.250 3.216 3.353 1.00 0.00 ATOM 1385 CA PRO 174 55.495 2.408 2.399 1.00 0.00 ATOM 1386 CB PRO 174 56.069 1.004 2.610 1.00 0.00 ATOM 1387 CG PRO 174 57.550 1.290 2.983 1.00 0.00 ATOM 1388 CD PRO 174 57.421 2.477 3.912 1.00 0.00 ATOM 1389 O PRO 174 53.251 2.583 1.603 1.00 0.00 ATOM 1390 C PRO 174 53.975 2.452 2.590 1.00 0.00 ATOM 1391 N ALA 175 53.487 2.323 3.832 1.00 0.00 ATOM 1392 CA ALA 175 52.028 2.359 4.101 1.00 0.00 ATOM 1393 CB ALA 175 51.710 1.911 5.553 1.00 0.00 ATOM 1394 O ALA 175 50.344 3.843 3.338 1.00 0.00 ATOM 1395 C ALA 175 51.438 3.733 3.820 1.00 0.00 ATOM 1396 N ASN 176 52.185 4.785 4.121 1.00 0.00 ATOM 1397 CA ASN 176 51.780 6.163 3.817 1.00 0.00 ATOM 1398 CB ASN 176 52.801 7.143 4.435 1.00 0.00 ATOM 1399 CG ASN 176 52.861 7.064 5.979 1.00 0.00 ATOM 1400 ND2 ASN 176 53.886 7.700 6.566 1.00 0.00 ATOM 1401 OD1 ASN 176 51.999 6.467 6.629 1.00 0.00 ATOM 1402 O ASN 176 50.636 6.939 1.830 1.00 0.00 ATOM 1403 C ASN 176 51.647 6.394 2.296 1.00 0.00 ATOM 1404 N VAL 177 52.675 5.980 1.547 1.00 0.00 ATOM 1405 CA VAL 177 52.646 5.965 0.079 1.00 0.00 ATOM 1406 CB VAL 177 54.007 5.446 -0.491 1.00 0.00 ATOM 1407 CG1 VAL 177 53.904 5.097 -1.951 1.00 0.00 ATOM 1408 CG2 VAL 177 55.082 6.459 -0.254 1.00 0.00 ATOM 1409 O VAL 177 50.769 5.671 -1.410 1.00 0.00 ATOM 1410 C VAL 177 51.481 5.178 -0.516 1.00 0.00 ATOM 1411 N ALA 178 51.276 3.953 -0.041 1.00 0.00 ATOM 1412 CA ALA 178 50.125 3.141 -0.483 1.00 0.00 ATOM 1413 CB ALA 178 50.108 1.790 0.240 1.00 0.00 ATOM 1414 O ALA 178 47.917 3.827 -1.159 1.00 0.00 ATOM 1415 C ALA 178 48.779 3.878 -0.294 1.00 0.00 ATOM 1416 N THR 179 48.610 4.581 0.821 1.00 0.00 ATOM 1417 CA THR 179 47.367 5.330 1.045 1.00 0.00 ATOM 1418 CB THR 179 47.220 5.793 2.530 1.00 0.00 ATOM 1419 CG2 THR 179 45.995 6.662 2.731 1.00 0.00 ATOM 1420 OG1 THR 179 47.116 4.645 3.375 1.00 0.00 ATOM 1421 O THR 179 46.156 6.799 -0.402 1.00 0.00 ATOM 1422 C THR 179 47.251 6.516 0.096 1.00 0.00 ATOM 1423 N ALA 180 48.361 7.210 -0.156 1.00 0.00 ATOM 1424 CA ALA 180 48.323 8.347 -1.097 1.00 0.00 ATOM 1425 CB ALA 180 49.572 9.176 -1.021 1.00 0.00 ATOM 1426 O ALA 180 47.279 8.575 -3.267 1.00 0.00 ATOM 1427 C ALA 180 48.037 7.903 -2.541 1.00 0.00 ATOM 1428 N GLU 181 48.606 6.765 -2.940 1.00 0.00 ATOM 1429 CA GLU 181 48.255 6.137 -4.231 1.00 0.00 ATOM 1430 CB GLU 181 49.038 4.835 -4.444 1.00 0.00 ATOM 1431 CG GLU 181 50.513 5.068 -4.834 1.00 0.00 ATOM 1432 CD GLU 181 50.700 5.654 -6.254 1.00 0.00 ATOM 1433 OE1 GLU 181 49.747 5.599 -7.106 1.00 0.00 ATOM 1434 OE2 GLU 181 51.824 6.157 -6.520 1.00 0.00 ATOM 1435 O GLU 181 46.164 6.143 -5.377 1.00 0.00 ATOM 1436 C GLU 181 46.765 5.848 -4.361 1.00 0.00 ATOM 1437 N ARG 182 46.196 5.277 -3.306 1.00 0.00 ATOM 1438 CA ARG 182 44.800 4.866 -3.243 1.00 0.00 ATOM 1439 CB ARG 182 44.584 4.297 -1.847 1.00 0.00 ATOM 1440 CG ARG 182 43.962 2.941 -1.715 1.00 0.00 ATOM 1441 CD ARG 182 44.196 2.498 -0.266 1.00 0.00 ATOM 1442 NE ARG 182 45.103 1.350 -0.107 1.00 0.00 ATOM 1443 CZ ARG 182 46.011 1.218 0.867 1.00 0.00 ATOM 1444 NH1 ARG 182 46.774 0.124 0.916 1.00 0.00 ATOM 1445 NH2 ARG 182 46.206 2.172 1.771 1.00 0.00 ATOM 1446 O ARG 182 42.861 6.021 -4.118 1.00 0.00 ATOM 1447 C ARG 182 43.886 6.094 -3.448 1.00 0.00 ATOM 1448 N LEU 183 44.303 7.225 -2.879 1.00 0.00 ATOM 1449 CA LEU 183 43.591 8.476 -2.966 1.00 0.00 ATOM 1450 CB LEU 183 43.900 9.311 -1.699 1.00 0.00 ATOM 1451 CG LEU 183 43.298 8.661 -0.443 1.00 0.00 ATOM 1452 CD1 LEU 183 43.749 9.407 0.793 1.00 0.00 ATOM 1453 CD2 LEU 183 41.742 8.532 -0.526 1.00 0.00 ATOM 1454 O LEU 183 43.213 10.341 -4.430 1.00 0.00 ATOM 1455 C LEU 183 43.839 9.291 -4.245 1.00 0.00 ATOM 1456 N GLY 184 44.764 8.838 -5.096 1.00 0.00 ATOM 1457 CA GLY 184 44.994 9.469 -6.386 1.00 0.00 ATOM 1458 O GLY 184 46.394 11.044 -7.507 1.00 0.00 ATOM 1459 C GLY 184 46.202 10.395 -6.470 1.00 0.00 ATOM 1460 N PHE 185 47.021 10.452 -5.408 1.00 0.00 ATOM 1461 CA PHE 185 48.292 11.203 -5.437 1.00 0.00 ATOM 1462 CB PHE 185 48.899 11.369 -4.032 1.00 0.00 ATOM 1463 CG PHE 185 48.057 12.190 -3.097 1.00 0.00 ATOM 1464 CD1 PHE 185 48.325 13.542 -2.906 1.00 0.00 ATOM 1465 CD2 PHE 185 46.997 11.610 -2.387 1.00 0.00 ATOM 1466 CE1 PHE 185 47.561 14.302 -2.045 1.00 0.00 ATOM 1467 CE2 PHE 185 46.223 12.361 -1.518 1.00 0.00 ATOM 1468 CZ PHE 185 46.485 13.714 -1.346 1.00 0.00 ATOM 1469 O PHE 185 49.391 9.377 -6.546 1.00 0.00 ATOM 1470 C PHE 185 49.357 10.592 -6.352 1.00 0.00 ATOM 1471 N HIS 186 50.196 11.464 -6.923 1.00 0.00 ATOM 1472 CA HIS 186 51.545 11.099 -7.378 1.00 0.00 ATOM 1473 CB HIS 186 52.146 12.180 -8.271 1.00 0.00 ATOM 1474 CG HIS 186 51.330 12.420 -9.496 1.00 0.00 ATOM 1475 CD2 HIS 186 50.337 13.306 -9.748 1.00 0.00 ATOM 1476 ND1 HIS 186 51.422 11.615 -10.613 1.00 0.00 ATOM 1477 CE1 HIS 186 50.541 12.017 -11.515 1.00 0.00 ATOM 1478 NE2 HIS 186 49.875 13.046 -11.019 1.00 0.00 ATOM 1479 O HIS 186 52.274 11.647 -5.186 1.00 0.00 ATOM 1480 C HIS 186 52.391 10.888 -6.145 1.00 0.00 ATOM 1481 N THR 187 53.185 9.822 -6.144 1.00 0.00 ATOM 1482 CA THR 187 54.001 9.532 -4.974 1.00 0.00 ATOM 1483 CB THR 187 53.524 8.282 -4.150 1.00 0.00 ATOM 1484 CG2 THR 187 52.104 8.461 -3.574 1.00 0.00 ATOM 1485 OG1 THR 187 53.583 7.106 -4.964 1.00 0.00 ATOM 1486 O THR 187 55.782 9.055 -6.515 1.00 0.00 ATOM 1487 C THR 187 55.456 9.361 -5.358 1.00 0.00 ATOM 1488 N TYR 188 56.324 9.610 -4.387 1.00 0.00 ATOM 1489 CA TYR 188 57.729 9.204 -4.482 1.00 0.00 ATOM 1490 CB TYR 188 58.621 10.336 -4.986 1.00 0.00 ATOM 1491 CG TYR 188 60.045 9.871 -5.169 1.00 0.00 ATOM 1492 CD1 TYR 188 60.443 9.241 -6.349 1.00 0.00 ATOM 1493 CD2 TYR 188 60.994 10.036 -4.150 1.00 0.00 ATOM 1494 CE1 TYR 188 61.734 8.793 -6.512 1.00 0.00 ATOM 1495 CE2 TYR 188 62.282 9.592 -4.296 1.00 0.00 ATOM 1496 CZ TYR 188 62.654 8.971 -5.479 1.00 0.00 ATOM 1497 OH TYR 188 63.950 8.529 -5.645 1.00 0.00 ATOM 1498 O TYR 188 57.853 9.336 -2.114 1.00 0.00 ATOM 1499 C TYR 188 58.174 8.712 -3.102 1.00 0.00 ATOM 1500 N CYS 189 58.859 7.569 -3.050 1.00 0.00 ATOM 1501 CA CYS 189 59.241 6.932 -1.782 1.00 0.00 ATOM 1502 CB CYS 189 58.680 5.509 -1.652 1.00 0.00 ATOM 1503 SG CYS 189 58.750 4.834 0.058 1.00 0.00 ATOM 1504 O CYS 189 61.421 5.980 -2.101 1.00 0.00 ATOM 1505 C CYS 189 60.760 6.914 -1.651 1.00 0.00 ATOM 1506 N PRO 190 61.318 7.961 -1.031 1.00 0.00 ATOM 1507 CA PRO 190 62.761 7.984 -0.830 1.00 0.00 ATOM 1508 CB PRO 190 63.042 9.442 -0.437 1.00 0.00 ATOM 1509 CG PRO 190 61.751 9.922 0.199 1.00 0.00 ATOM 1510 CD PRO 190 60.632 9.138 -0.452 1.00 0.00 ATOM 1511 O PRO 190 62.287 6.684 1.133 1.00 0.00 ATOM 1512 C PRO 190 63.140 7.057 0.316 1.00 0.00 ATOM 1513 N ASP 191 64.398 6.663 0.357 1.00 0.00 ATOM 1514 CA ASP 191 64.972 6.094 1.571 1.00 0.00 ATOM 1515 CB ASP 191 66.272 5.314 1.266 1.00 0.00 ATOM 1516 CG ASP 191 66.006 3.989 0.552 1.00 0.00 ATOM 1517 OD1 ASP 191 64.921 3.374 0.770 1.00 0.00 ATOM 1518 OD2 ASP 191 66.893 3.559 -0.225 1.00 0.00 ATOM 1519 O ASP 191 65.560 8.328 2.313 1.00 0.00 ATOM 1520 C ASP 191 65.262 7.170 2.630 1.00 0.00 ATOM 1521 N ASN 192 65.170 6.761 3.889 1.00 0.00 ATOM 1522 CA ASN 192 65.736 7.514 4.979 1.00 0.00 ATOM 1523 CB ASN 192 65.582 6.721 6.283 1.00 0.00 ATOM 1524 CG ASN 192 66.202 7.435 7.461 1.00 0.00 ATOM 1525 ND2 ASN 192 67.012 6.723 8.253 1.00 0.00 ATOM 1526 OD1 ASN 192 65.988 8.626 7.633 1.00 0.00 ATOM 1527 O ASN 192 68.058 6.899 4.591 1.00 0.00 ATOM 1528 C ASN 192 67.224 7.822 4.661 1.00 0.00 ATOM 1529 N GLY 193 67.525 9.109 4.434 1.00 0.00 ATOM 1530 CA GLY 193 68.878 9.574 4.140 1.00 0.00 ATOM 1531 O GLY 193 70.392 10.125 2.349 1.00 0.00 ATOM 1532 C GLY 193 69.263 9.727 2.666 1.00 0.00 ATOM 1533 N GLU 194 68.340 9.428 1.754 1.00 0.00 ATOM 1534 CA GLU 194 68.621 9.558 0.320 1.00 0.00 ATOM 1535 CB GLU 194 67.532 8.822 -0.455 1.00 0.00 ATOM 1536 CG GLU 194 67.815 8.605 -1.947 1.00 0.00 ATOM 1537 CD GLU 194 66.591 8.022 -2.665 1.00 0.00 ATOM 1538 OE1 GLU 194 66.364 8.356 -3.861 1.00 0.00 ATOM 1539 OE2 GLU 194 65.836 7.250 -2.022 1.00 0.00 ATOM 1540 O GLU 194 67.808 11.820 0.327 1.00 0.00 ATOM 1541 C GLU 194 68.654 11.039 -0.114 1.00 0.00 ATOM 1542 N ASN 195 69.594 11.424 -0.980 1.00 0.00 ATOM 1543 CA ASN 195 69.486 12.732 -1.641 1.00 0.00 ATOM 1544 CB ASN 195 70.812 13.340 -2.133 1.00 0.00 ATOM 1545 CG ASN 195 70.586 14.752 -2.750 1.00 0.00 ATOM 1546 ND2 ASN 195 71.503 15.209 -3.609 1.00 0.00 ATOM 1547 OD1 ASN 195 69.566 15.409 -2.444 1.00 0.00 ATOM 1548 O ASN 195 68.960 12.302 -3.925 1.00 0.00 ATOM 1549 C ASN 195 68.552 12.682 -2.822 1.00 0.00 ATOM 1550 N TRP 196 67.320 13.112 -2.604 1.00 0.00 ATOM 1551 CA TRP 196 66.287 12.974 -3.622 1.00 0.00 ATOM 1552 CB TRP 196 64.953 12.587 -2.988 1.00 0.00 ATOM 1553 CG TRP 196 64.575 13.379 -1.747 1.00 0.00 ATOM 1554 CD1 TRP 196 64.535 12.899 -0.468 1.00 0.00 ATOM 1555 CD2 TRP 196 64.177 14.757 -1.674 1.00 0.00 ATOM 1556 CE2 TRP 196 63.901 15.035 -0.310 1.00 0.00 ATOM 1557 CE3 TRP 196 64.035 15.786 -2.615 1.00 0.00 ATOM 1558 NE1 TRP 196 64.146 13.885 0.399 1.00 0.00 ATOM 1559 CZ2 TRP 196 63.486 16.321 0.138 1.00 0.00 ATOM 1560 CZ3 TRP 196 63.630 17.051 -2.182 1.00 0.00 ATOM 1561 CH2 TRP 196 63.371 17.312 -0.810 1.00 0.00 ATOM 1562 O TRP 196 65.205 14.231 -5.316 1.00 0.00 ATOM 1563 C TRP 196 66.092 14.216 -4.476 1.00 0.00 ATOM 1564 N ILE 197 66.881 15.260 -4.230 1.00 0.00 ATOM 1565 CA ILE 197 66.729 16.506 -4.957 1.00 0.00 ATOM 1566 CB ILE 197 67.727 17.609 -4.518 1.00 0.00 ATOM 1567 CG1 ILE 197 67.387 18.093 -3.105 1.00 0.00 ATOM 1568 CG2 ILE 197 67.704 18.776 -5.496 1.00 0.00 ATOM 1569 CD1 ILE 197 68.532 18.871 -2.444 1.00 0.00 ATOM 1570 O ILE 197 65.844 16.686 -7.148 1.00 0.00 ATOM 1571 C ILE 197 66.776 16.275 -6.464 1.00 0.00 ATOM 1572 N PRO 198 67.847 15.623 -6.993 1.00 0.00 ATOM 1573 CA PRO 198 67.841 15.392 -8.459 1.00 0.00 ATOM 1574 CB PRO 198 69.138 14.597 -8.699 1.00 0.00 ATOM 1575 CG PRO 198 70.059 15.030 -7.565 1.00 0.00 ATOM 1576 CD PRO 198 69.102 15.130 -6.376 1.00 0.00 ATOM 1577 O PRO 198 66.029 15.104 -10.021 1.00 0.00 ATOM 1578 C PRO 198 66.594 14.666 -9.013 1.00 0.00 ATOM 1579 N ALA 199 66.148 13.602 -8.340 1.00 0.00 ATOM 1580 CA ALA 199 64.984 12.818 -8.790 1.00 0.00 ATOM 1581 CB ALA 199 64.840 11.528 -7.975 1.00 0.00 ATOM 1582 O ALA 199 62.833 13.497 -9.646 1.00 0.00 ATOM 1583 C ALA 199 63.673 13.606 -8.744 1.00 0.00 ATOM 1584 N ILE 200 63.485 14.374 -7.674 1.00 0.00 ATOM 1585 CA ILE 200 62.300 15.224 -7.553 1.00 0.00 ATOM 1586 CB ILE 200 62.105 15.714 -6.093 1.00 0.00 ATOM 1587 CG1 ILE 200 61.864 14.537 -5.129 1.00 0.00 ATOM 1588 CG2 ILE 200 61.003 16.779 -5.977 1.00 0.00 ATOM 1589 CD1 ILE 200 60.814 13.502 -5.543 1.00 0.00 ATOM 1590 O ILE 200 61.317 16.633 -9.261 1.00 0.00 ATOM 1591 C ILE 200 62.329 16.376 -8.602 1.00 0.00 ATOM 1592 N THR 201 63.487 17.026 -8.772 1.00 0.00 ATOM 1593 CA THR 201 63.696 18.077 -9.789 1.00 0.00 ATOM 1594 CB THR 201 65.190 18.537 -9.845 1.00 0.00 ATOM 1595 CG2 THR 201 65.374 19.807 -10.680 1.00 0.00 ATOM 1596 OG1 THR 201 65.676 18.783 -8.521 1.00 0.00 ATOM 1597 O THR 201 62.795 18.339 -12.014 1.00 0.00 ATOM 1598 C THR 201 63.280 17.567 -11.172 1.00 0.00 ATOM 1599 N ARG 202 63.486 16.262 -11.382 1.00 0.00 ATOM 1600 CA ARG 202 63.100 15.547 -12.598 1.00 0.00 ATOM 1601 CB ARG 202 63.738 14.156 -12.623 1.00 0.00 ATOM 1602 CG ARG 202 64.740 13.911 -13.733 1.00 0.00 ATOM 1603 CD ARG 202 64.151 12.969 -14.793 1.00 0.00 ATOM 1604 NE ARG 202 65.170 12.362 -15.671 1.00 0.00 ATOM 1605 CZ ARG 202 65.792 11.207 -15.423 1.00 0.00 ATOM 1606 NH1 ARG 202 66.687 10.735 -16.278 1.00 0.00 ATOM 1607 NH2 ARG 202 65.513 10.514 -14.318 1.00 0.00 ATOM 1608 O ARG 202 61.014 15.676 -13.738 1.00 0.00 ATOM 1609 C ARG 202 61.596 15.387 -12.697 1.00 0.00 ATOM 1610 N LEU 203 60.970 14.909 -11.623 1.00 0.00 ATOM 1611 CA LEU 203 59.530 14.690 -11.625 1.00 0.00 ATOM 1612 CB LEU 203 59.032 14.117 -10.289 1.00 0.00 ATOM 1613 CG LEU 203 59.360 12.668 -9.902 1.00 0.00 ATOM 1614 CD1 LEU 203 58.664 12.308 -8.601 1.00 0.00 ATOM 1615 CD2 LEU 203 59.002 11.643 -10.985 1.00 0.00 ATOM 1616 O LEU 203 57.803 15.949 -12.685 1.00 0.00 ATOM 1617 C LEU 203 58.782 15.974 -11.943 1.00 0.00 ATOM 1618 N LEU 204 59.264 17.089 -11.398 1.00 0.00 ATOM 1619 CA LEU 204 58.597 18.380 -11.547 1.00 0.00 ATOM 1620 CB LEU 204 59.156 19.400 -10.548 1.00 0.00 ATOM 1621 CG LEU 204 59.052 18.984 -9.076 1.00 0.00 ATOM 1622 CD1 LEU 204 59.726 20.010 -8.186 1.00 0.00 ATOM 1623 CD2 LEU 204 57.593 18.751 -8.664 1.00 0.00 ATOM 1624 O LEU 204 57.813 19.710 -13.378 1.00 0.00 ATOM 1625 C LEU 204 58.653 18.908 -12.979 1.00 0.00 ATOM 1626 N ARG 205 59.625 18.431 -13.748 1.00 0.00 ATOM 1627 CA ARG 205 59.791 18.780 -15.171 1.00 0.00 ATOM 1628 CB ARG 205 61.120 18.234 -15.698 1.00 0.00 ATOM 1629 CG ARG 205 62.094 19.294 -16.145 1.00 0.00 ATOM 1630 CD ARG 205 63.373 18.670 -16.656 1.00 0.00 ATOM 1631 NE ARG 205 64.472 18.833 -15.707 1.00 0.00 ATOM 1632 CZ ARG 205 65.244 17.854 -15.248 1.00 0.00 ATOM 1633 NH1 ARG 205 65.074 16.606 -15.653 1.00 0.00 ATOM 1634 NH2 ARG 205 66.206 18.134 -14.394 1.00 0.00 ATOM 1635 O ARG 205 58.468 18.770 -17.185 1.00 0.00 ATOM 1636 C ARG 205 58.668 18.268 -16.075 1.00 0.00 ATOM 1637 N GLU 206 57.937 17.254 -15.608 1.00 0.00 ATOM 1638 CA GLU 206 56.977 16.559 -16.503 1.00 0.00 ATOM 1639 CB GLU 206 56.867 15.067 -16.164 1.00 0.00 ATOM 1640 CG GLU 206 55.880 14.724 -15.084 1.00 0.00 ATOM 1641 CD GLU 206 55.251 13.361 -15.327 1.00 0.00 ATOM 1642 OE1 GLU 206 55.147 12.592 -14.344 1.00 0.00 ATOM 1643 OE2 GLU 206 54.879 13.053 -16.493 1.00 0.00 ATOM 1644 O GLU 206 54.976 17.826 -15.888 1.00 0.00 ATOM 1645 C GLU 206 55.584 17.196 -16.761 1.00 0.00 ATOM 1646 N GLN 207 55.113 16.981 -17.988 1.00 0.00 ATOM 1647 CA GLN 207 53.918 17.626 -18.536 1.00 0.00 ATOM 1648 CB GLN 207 54.255 18.225 -19.904 1.00 0.00 ATOM 1649 CG GLN 207 55.609 18.947 -19.930 1.00 0.00 ATOM 1650 CD GLN 207 55.586 20.251 -19.145 1.00 0.00 ATOM 1651 OE1 GLN 207 55.123 21.276 -19.654 1.00 0.00 ATOM 1652 NE2 GLN 207 56.094 20.224 -17.914 1.00 0.00 ATOM 1653 O GLN 207 51.726 16.828 -17.968 1.00 0.00 ATOM 1654 C GLN 207 52.737 16.664 -18.650 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 T0379.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0379)F59.C and (T0379)R60.C only 0.000 apart, marking (T0379)R60.C as missing WARNING: atoms too close: (T0379)R60.N and (T0379)T61.N only 0.000 apart, marking (T0379)R60.N as missing WARNING: atoms too close: (T0379)R60.CA and (T0379)T61.CA only 0.000 apart, marking (T0379)R60.CA as missing WARNING: atoms too close: (T0379)S64.C and (T0379)R65.C only 0.000 apart, marking (T0379)R65.C as missing WARNING: atoms too close: (T0379)R65.N and (T0379)Y66.N only 0.000 apart, marking (T0379)R65.N as missing WARNING: atoms too close: (T0379)R65.CA and (T0379)Y66.CA only 0.000 apart, marking (T0379)R65.CA as missing WARNING: atoms too close: (T0379)R99.C and (T0379)D101.C only 0.000 apart, marking (T0379)D101.C as missing WARNING: atoms too close: (T0379)P100.N and (T0379)Y102.N only 0.000 apart, marking (T0379)P100.N as missing WARNING: atoms too close: (T0379)P100.CA and (T0379)Y102.CA only 0.000 apart, marking (T0379)P100.CA as missing WARNING: atoms too close: (T0379)F123.C and (T0379)T129.C only 0.000 apart, marking (T0379)T129.C as missing WARNING: atoms too close: (T0379)L124.N and (T0379)L130.N only 0.000 apart, marking (T0379)L124.N as missing WARNING: atoms too close: (T0379)L124.CA and (T0379)L130.CA only 0.000 apart, marking (T0379)L124.CA as missing # WARNING: incomplete conformation T0379 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 = 0.882 # GDT_score = -44.730 # GDT_score(maxd=8.000,maxw=2.900)= -44.613 # GDT_score(maxd=8.000,maxw=3.200)= -42.281 # GDT_score(maxd=8.000,maxw=3.500)= -40.029 # GDT_score(maxd=10.000,maxw=3.800)= -43.188 # GDT_score(maxd=10.000,maxw=4.000)= -41.714 # GDT_score(maxd=10.000,maxw=4.200)= -40.304 # GDT_score(maxd=12.000,maxw=4.300)= -43.857 # GDT_score(maxd=12.000,maxw=4.500)= -42.436 # GDT_score(maxd=12.000,maxw=4.700)= -41.109 # GDT_score(maxd=14.000,maxw=5.200)= -41.233 # GDT_score(maxd=14.000,maxw=5.500)= -39.352 # command:# ReadConformPDB reading from PDB file T0379.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0379)I14.C and (T0379)H15.C only 0.000 apart, marking (T0379)H15.C as missing WARNING: atoms too close: (T0379)H15.N and (T0379)L16.N only 0.000 apart, marking (T0379)H15.N as missing WARNING: atoms too close: (T0379)H15.CA and (T0379)L16.CA only 0.000 apart, marking (T0379)H15.CA as missing WARNING: atoms too close: (T0379)G44.C and (T0379)D48.C only 0.000 apart, marking (T0379)D48.C as missing WARNING: atoms too close: (T0379)L45.N and (T0379)L49.N only 0.000 apart, marking (T0379)L45.N as missing WARNING: atoms too close: (T0379)L45.CA and (T0379)L49.CA only 0.000 apart, marking (T0379)L45.CA as missing WARNING: atoms too close: (T0379)F123.C and (T0379)T129.C only 0.000 apart, marking (T0379)T129.C as missing WARNING: atoms too close: (T0379)L124.N and (T0379)L130.N only 0.000 apart, marking (T0379)L124.N as missing WARNING: atoms too close: (T0379)L124.CA and (T0379)L130.CA only 0.000 apart, marking (T0379)L124.CA as missing # WARNING: incomplete conformation T0379 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 = 0.946 # GDT_score = -52.819 # GDT_score(maxd=8.000,maxw=2.900)= -53.524 # GDT_score(maxd=8.000,maxw=3.200)= -50.991 # GDT_score(maxd=8.000,maxw=3.500)= -48.486 # GDT_score(maxd=10.000,maxw=3.800)= -51.320 # GDT_score(maxd=10.000,maxw=4.000)= -49.649 # GDT_score(maxd=10.000,maxw=4.200)= -48.023 # GDT_score(maxd=12.000,maxw=4.300)= -51.469 # GDT_score(maxd=12.000,maxw=4.500)= -49.847 # GDT_score(maxd=12.000,maxw=4.700)= -48.274 # GDT_score(maxd=14.000,maxw=5.200)= -47.979 # GDT_score(maxd=14.000,maxw=5.500)= -45.795 # command:# ReadConformPDB reading from PDB file T0379.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0379)Q75.C and (T0379)V76.C only 0.000 apart, marking (T0379)V76.C as missing WARNING: atoms too close: (T0379)V76.N and (T0379)Y77.N only 0.000 apart, marking (T0379)V76.N as missing WARNING: atoms too close: (T0379)V76.CA and (T0379)Y77.CA only 0.000 apart, marking (T0379)V76.CA as missing WARNING: atoms too close: (T0379)F123.C and (T0379)T129.C only 0.000 apart, marking (T0379)T129.C as missing WARNING: atoms too close: (T0379)L124.N and (T0379)L130.N only 0.000 apart, marking (T0379)L124.N as missing WARNING: atoms too close: (T0379)L124.CA and (T0379)L130.CA only 0.000 apart, marking (T0379)L124.CA as missing # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0379.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0379)F123.C and (T0379)T129.C only 0.000 apart, marking (T0379)T129.C as missing WARNING: atoms too close: (T0379)L124.N and (T0379)L130.N only 0.000 apart, marking (T0379)L124.N as missing WARNING: atoms too close: (T0379)L124.CA and (T0379)L130.CA only 0.000 apart, marking (T0379)L124.CA as missing # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0379.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0379)F123.C and (T0379)T129.C only 0.000 apart, marking (T0379)T129.C as missing WARNING: atoms too close: (T0379)L124.N and (T0379)L130.N only 0.000 apart, marking (T0379)L124.N as missing WARNING: atoms too close: (T0379)L124.CA and (T0379)L130.CA only 0.000 apart, marking (T0379)L124.CA as missing # WARNING: incomplete conformation T0379 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 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try1-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 172 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 172 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try10-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try11-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try11-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try11-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try12-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try12-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try13-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try13-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try13-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try14-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try14-opt1.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try14-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try14-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try14-opt2.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try14-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try15-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try15-opt1.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try15-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try15-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try15-opt2.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try15-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try16-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try16-opt1.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try16-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try16-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try16-opt2.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try16-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 148 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try17-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try17-opt1.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try17-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try17-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try17-opt2.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try17-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try18-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try18-opt1.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try18-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try18-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try18-opt2.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try18-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try19-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try19-opt1.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try19-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try19-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try19-opt2.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try19-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try2-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try20-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try20-opt1.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try20-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try20-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try20-opt2.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try20-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try21-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try21-opt1.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try21-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try21-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try21-opt2.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try21-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try22-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try22-opt1.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try22-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 172 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try22-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 172 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try22-opt2.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try22-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try23-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try23-opt1.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try23-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try23-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try23-opt2.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try23-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try24-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try24-opt1.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try24-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try24-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try24-opt2.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try24-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try25-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try25-opt1.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try25-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try25-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try25-opt2.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try25-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try26-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try26-opt1.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try26-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try26-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try26-opt2.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try26-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try27-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try27-opt1.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try27-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 29 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try27-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 29 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try27-opt2.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try27-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try28-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try28-opt1.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try28-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 29 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try28-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 29 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try28-opt2.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try28-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try29-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try29-opt1.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try29-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try29-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try29-opt2.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try29-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try3-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try4-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 189 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 187 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try5-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 187 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 201 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 201 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 204 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 204 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try6-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 T0379.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 204 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 204 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 7 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try7-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 7 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try8-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try9-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0379.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 194 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1433774194.pdb -s /var/tmp/to_scwrl_1433774194.seq -o /var/tmp/from_scwrl_1433774194.pdb > /var/tmp/scwrl_1433774194.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1433774194.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 T0379 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2073404560.pdb -s /var/tmp/to_scwrl_2073404560.seq -o /var/tmp/from_scwrl_2073404560.pdb > /var/tmp/scwrl_2073404560.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2073404560.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 T0379 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_29352694.pdb -s /var/tmp/to_scwrl_29352694.seq -o /var/tmp/from_scwrl_29352694.pdb > /var/tmp/scwrl_29352694.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_29352694.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 T0379 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_511804668.pdb -s /var/tmp/to_scwrl_511804668.seq -o /var/tmp/from_scwrl_511804668.pdb > /var/tmp/scwrl_511804668.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_511804668.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 T0379 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1523751519.pdb -s /var/tmp/to_scwrl_1523751519.seq -o /var/tmp/from_scwrl_1523751519.pdb > /var/tmp/scwrl_1523751519.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1523751519.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 T0379 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_473199443.pdb -s /var/tmp/to_scwrl_473199443.seq -o /var/tmp/from_scwrl_473199443.pdb > /var/tmp/scwrl_473199443.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_473199443.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 T0379 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_168673663.pdb -s /var/tmp/to_scwrl_168673663.seq -o /var/tmp/from_scwrl_168673663.pdb > /var/tmp/scwrl_168673663.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_168673663.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 T0379 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_838513830.pdb -s /var/tmp/to_scwrl_838513830.seq -o /var/tmp/from_scwrl_838513830.pdb > /var/tmp/scwrl_838513830.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_838513830.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 T0379 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_675614069.pdb -s /var/tmp/to_scwrl_675614069.seq -o /var/tmp/from_scwrl_675614069.pdb > /var/tmp/scwrl_675614069.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_675614069.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 T0379 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_624338086.pdb -s /var/tmp/to_scwrl_624338086.seq -o /var/tmp/from_scwrl_624338086.pdb > /var/tmp/scwrl_624338086.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_624338086.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 T0379 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_630949325.pdb -s /var/tmp/to_scwrl_630949325.seq -o /var/tmp/from_scwrl_630949325.pdb > /var/tmp/scwrl_630949325.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_630949325.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 T0379 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1368712971.pdb -s /var/tmp/to_scwrl_1368712971.seq -o /var/tmp/from_scwrl_1368712971.pdb > /var/tmp/scwrl_1368712971.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1368712971.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 T0379 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_707823029.pdb -s /var/tmp/to_scwrl_707823029.seq -o /var/tmp/from_scwrl_707823029.pdb > /var/tmp/scwrl_707823029.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_707823029.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 T0379 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1499530456.pdb -s /var/tmp/to_scwrl_1499530456.seq -o /var/tmp/from_scwrl_1499530456.pdb > /var/tmp/scwrl_1499530456.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1499530456.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 T0379 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1499375101.pdb -s /var/tmp/to_scwrl_1499375101.seq -o /var/tmp/from_scwrl_1499375101.pdb > /var/tmp/scwrl_1499375101.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1499375101.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 166 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_478157746.pdb -s /var/tmp/to_scwrl_478157746.seq -o /var/tmp/from_scwrl_478157746.pdb > /var/tmp/scwrl_478157746.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_478157746.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 137 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_122254635.pdb -s /var/tmp/to_scwrl_122254635.seq -o /var/tmp/from_scwrl_122254635.pdb > /var/tmp/scwrl_122254635.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_122254635.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 197 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_699288230.pdb -s /var/tmp/to_scwrl_699288230.seq -o /var/tmp/from_scwrl_699288230.pdb > /var/tmp/scwrl_699288230.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_699288230.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 111 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_404605294.pdb -s /var/tmp/to_scwrl_404605294.seq -o /var/tmp/from_scwrl_404605294.pdb > /var/tmp/scwrl_404605294.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_404605294.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 113 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_57816222.pdb -s /var/tmp/to_scwrl_57816222.seq -o /var/tmp/from_scwrl_57816222.pdb > /var/tmp/scwrl_57816222.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_57816222.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 166 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1245853503.pdb -s /var/tmp/to_scwrl_1245853503.seq -o /var/tmp/from_scwrl_1245853503.pdb > /var/tmp/scwrl_1245853503.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1245853503.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS2.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1032555041.pdb -s /var/tmp/to_scwrl_1032555041.seq -o /var/tmp/from_scwrl_1032555041.pdb > /var/tmp/scwrl_1032555041.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1032555041.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 200 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_163630119.pdb -s /var/tmp/to_scwrl_163630119.seq -o /var/tmp/from_scwrl_163630119.pdb > /var/tmp/scwrl_163630119.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_163630119.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 157 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1501202895.pdb -s /var/tmp/to_scwrl_1501202895.seq -o /var/tmp/from_scwrl_1501202895.pdb > /var/tmp/scwrl_1501202895.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1501202895.pdb # conformation set from SCWRL output # naming current conformation ABIpro_TS4-scwrl # ReadConformPDB reading from PDB file servers/ABIpro_TS5.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1484036010.pdb -s /var/tmp/to_scwrl_1484036010.seq -o /var/tmp/from_scwrl_1484036010.pdb > /var/tmp/scwrl_1484036010.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1484036010.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 128 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1083240878.pdb -s /var/tmp/to_scwrl_1083240878.seq -o /var/tmp/from_scwrl_1083240878.pdb > /var/tmp/scwrl_1083240878.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1083240878.pdb # conformation set from SCWRL output # naming current conformation BayesHH_TS1-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS1.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1260560275.pdb -s /var/tmp/to_scwrl_1260560275.seq -o /var/tmp/from_scwrl_1260560275.pdb > /var/tmp/scwrl_1260560275.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1260560275.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 165 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_383805306.pdb -s /var/tmp/to_scwrl_383805306.seq -o /var/tmp/from_scwrl_383805306.pdb > /var/tmp/scwrl_383805306.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_383805306.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS3.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1817719350.pdb -s /var/tmp/to_scwrl_1817719350.seq -o /var/tmp/from_scwrl_1817719350.pdb > /var/tmp/scwrl_1817719350.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1817719350.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 85 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_925906001.pdb -s /var/tmp/to_scwrl_925906001.seq -o /var/tmp/from_scwrl_925906001.pdb > /var/tmp/scwrl_925906001.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_925906001.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 18 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1073327947.pdb -s /var/tmp/to_scwrl_1073327947.seq -o /var/tmp/from_scwrl_1073327947.pdb > /var/tmp/scwrl_1073327947.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1073327947.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 205 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1104009897.pdb -s /var/tmp/to_scwrl_1104009897.seq -o /var/tmp/from_scwrl_1104009897.pdb > /var/tmp/scwrl_1104009897.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1104009897.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # Found a chain break before 196 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_851826914.pdb -s /var/tmp/to_scwrl_851826914.seq -o /var/tmp/from_scwrl_851826914.pdb > /var/tmp/scwrl_851826914.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_851826914.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # Found a chain break before 187 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1102680640.pdb -s /var/tmp/to_scwrl_1102680640.seq -o /var/tmp/from_scwrl_1102680640.pdb > /var/tmp/scwrl_1102680640.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1102680640.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 T0379 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1615814566.pdb -s /var/tmp/to_scwrl_1615814566.seq -o /var/tmp/from_scwrl_1615814566.pdb > /var/tmp/scwrl_1615814566.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1615814566.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # Found a chain break before 190 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_228094787.pdb -s /var/tmp/to_scwrl_228094787.seq -o /var/tmp/from_scwrl_228094787.pdb > /var/tmp/scwrl_228094787.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_228094787.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 T0379 can't currently be optimized by undertaker # naming current conformation CPHmodels_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1575880083.pdb -s /var/tmp/to_scwrl_1575880083.seq -o /var/tmp/from_scwrl_1575880083.pdb > /var/tmp/scwrl_1575880083.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1575880083.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 T0379 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1784488229.pdb -s /var/tmp/to_scwrl_1784488229.seq -o /var/tmp/from_scwrl_1784488229.pdb > /var/tmp/scwrl_1784488229.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1784488229.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 # Found a chain break before 129 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1066608617.pdb -s /var/tmp/to_scwrl_1066608617.seq -o /var/tmp/from_scwrl_1066608617.pdb > /var/tmp/scwrl_1066608617.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1066608617.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 # Found a chain break before 186 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_104010505.pdb -s /var/tmp/to_scwrl_104010505.seq -o /var/tmp/from_scwrl_104010505.pdb > /var/tmp/scwrl_104010505.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_104010505.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS3-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS4.pdb.gz looking for model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_261342668.pdb -s /var/tmp/to_scwrl_261342668.seq -o /var/tmp/from_scwrl_261342668.pdb > /var/tmp/scwrl_261342668.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_261342668.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 T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1697557941.pdb -s /var/tmp/to_scwrl_1697557941.seq -o /var/tmp/from_scwrl_1697557941.pdb > /var/tmp/scwrl_1697557941.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1697557941.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 T0379 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1472723477.pdb -s /var/tmp/to_scwrl_1472723477.seq -o /var/tmp/from_scwrl_1472723477.pdb > /var/tmp/scwrl_1472723477.log Error: Couldn't open file /var/tmp/from_scwrl_1472723477.pdb or /var/tmp/from_scwrl_1472723477.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1472723477_b.pdb or decoys//var/tmp/from_scwrl_1472723477_b.pdb.gz for input Trying /var/tmp/from_scwrl_1472723477_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1472723477_b.pdb or /var/tmp/from_scwrl_1472723477_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1472723477_a.pdb or decoys//var/tmp/from_scwrl_1472723477_a.pdb.gz for input Trying /var/tmp/from_scwrl_1472723477_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1472723477_a.pdb or /var/tmp/from_scwrl_1472723477_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1472723477.pdb or /var/tmp/from_scwrl_1472723477_b.pdb or /var/tmp/from_scwrl_1472723477_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 T0379 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_969165697.pdb -s /var/tmp/to_scwrl_969165697.seq -o /var/tmp/from_scwrl_969165697.pdb > /var/tmp/scwrl_969165697.log Error: Couldn't open file /var/tmp/from_scwrl_969165697.pdb or /var/tmp/from_scwrl_969165697.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_969165697_b.pdb or decoys//var/tmp/from_scwrl_969165697_b.pdb.gz for input Trying /var/tmp/from_scwrl_969165697_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_969165697_b.pdb or /var/tmp/from_scwrl_969165697_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_969165697_a.pdb or decoys//var/tmp/from_scwrl_969165697_a.pdb.gz for input Trying /var/tmp/from_scwrl_969165697_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_969165697_a.pdb or /var/tmp/from_scwrl_969165697_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_969165697.pdb or /var/tmp/from_scwrl_969165697_b.pdb or /var/tmp/from_scwrl_969165697_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 T0379 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1049604751.pdb -s /var/tmp/to_scwrl_1049604751.seq -o /var/tmp/from_scwrl_1049604751.pdb > /var/tmp/scwrl_1049604751.log Error: Couldn't open file /var/tmp/from_scwrl_1049604751.pdb or /var/tmp/from_scwrl_1049604751.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1049604751_b.pdb or decoys//var/tmp/from_scwrl_1049604751_b.pdb.gz for input Trying /var/tmp/from_scwrl_1049604751_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1049604751_b.pdb or /var/tmp/from_scwrl_1049604751_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1049604751_a.pdb or decoys//var/tmp/from_scwrl_1049604751_a.pdb.gz for input Trying /var/tmp/from_scwrl_1049604751_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1049604751_a.pdb or /var/tmp/from_scwrl_1049604751_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1049604751.pdb or /var/tmp/from_scwrl_1049604751_b.pdb or /var/tmp/from_scwrl_1049604751_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 T0379 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_824614932.pdb -s /var/tmp/to_scwrl_824614932.seq -o /var/tmp/from_scwrl_824614932.pdb > /var/tmp/scwrl_824614932.log Error: Couldn't open file /var/tmp/from_scwrl_824614932.pdb or /var/tmp/from_scwrl_824614932.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_824614932_b.pdb or decoys//var/tmp/from_scwrl_824614932_b.pdb.gz for input Trying /var/tmp/from_scwrl_824614932_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_824614932_b.pdb or /var/tmp/from_scwrl_824614932_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_824614932_a.pdb or decoys//var/tmp/from_scwrl_824614932_a.pdb.gz for input Trying /var/tmp/from_scwrl_824614932_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_824614932_a.pdb or /var/tmp/from_scwrl_824614932_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_824614932.pdb or /var/tmp/from_scwrl_824614932_b.pdb or /var/tmp/from_scwrl_824614932_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 T0379 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1447323442.pdb -s /var/tmp/to_scwrl_1447323442.seq -o /var/tmp/from_scwrl_1447323442.pdb > /var/tmp/scwrl_1447323442.log Error: Couldn't open file /var/tmp/from_scwrl_1447323442.pdb or /var/tmp/from_scwrl_1447323442.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1447323442_b.pdb or decoys//var/tmp/from_scwrl_1447323442_b.pdb.gz for input Trying /var/tmp/from_scwrl_1447323442_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1447323442_b.pdb or /var/tmp/from_scwrl_1447323442_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1447323442_a.pdb or decoys//var/tmp/from_scwrl_1447323442_a.pdb.gz for input Trying /var/tmp/from_scwrl_1447323442_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1447323442_a.pdb or /var/tmp/from_scwrl_1447323442_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1447323442.pdb or /var/tmp/from_scwrl_1447323442_b.pdb or /var/tmp/from_scwrl_1447323442_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 123 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1171859385.pdb -s /var/tmp/to_scwrl_1171859385.seq -o /var/tmp/from_scwrl_1171859385.pdb > /var/tmp/scwrl_1171859385.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1171859385.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 T0379 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1523903162.pdb -s /var/tmp/to_scwrl_1523903162.seq -o /var/tmp/from_scwrl_1523903162.pdb > /var/tmp/scwrl_1523903162.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1523903162.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 T0379 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1851928736.pdb -s /var/tmp/to_scwrl_1851928736.seq -o /var/tmp/from_scwrl_1851928736.pdb > /var/tmp/scwrl_1851928736.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1851928736.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 T0379 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1229675607.pdb -s /var/tmp/to_scwrl_1229675607.seq -o /var/tmp/from_scwrl_1229675607.pdb > /var/tmp/scwrl_1229675607.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1229675607.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 T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_622273019.pdb -s /var/tmp/to_scwrl_622273019.seq -o /var/tmp/from_scwrl_622273019.pdb > /var/tmp/scwrl_622273019.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_622273019.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 198 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_737000130.pdb -s /var/tmp/to_scwrl_737000130.seq -o /var/tmp/from_scwrl_737000130.pdb > /var/tmp/scwrl_737000130.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_737000130.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1393305727.pdb -s /var/tmp/to_scwrl_1393305727.seq -o /var/tmp/from_scwrl_1393305727.pdb > /var/tmp/scwrl_1393305727.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1393305727.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # Found a chain break before 190 # copying to AlignedFragments data structure # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2123475914.pdb -s /var/tmp/to_scwrl_2123475914.seq -o /var/tmp/from_scwrl_2123475914.pdb > /var/tmp/scwrl_2123475914.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2123475914.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 205 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_73552493.pdb -s /var/tmp/to_scwrl_73552493.seq -o /var/tmp/from_scwrl_73552493.pdb > /var/tmp/scwrl_73552493.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_73552493.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 187 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_329062959.pdb -s /var/tmp/to_scwrl_329062959.seq -o /var/tmp/from_scwrl_329062959.pdb > /var/tmp/scwrl_329062959.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_329062959.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 114 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1236552542.pdb -s /var/tmp/to_scwrl_1236552542.seq -o /var/tmp/from_scwrl_1236552542.pdb > /var/tmp/scwrl_1236552542.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1236552542.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 113 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_457357799.pdb -s /var/tmp/to_scwrl_457357799.seq -o /var/tmp/from_scwrl_457357799.pdb > /var/tmp/scwrl_457357799.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_457357799.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 197 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2146782310.pdb -s /var/tmp/to_scwrl_2146782310.seq -o /var/tmp/from_scwrl_2146782310.pdb > /var/tmp/scwrl_2146782310.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2146782310.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 173 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_14974896.pdb -s /var/tmp/to_scwrl_14974896.seq -o /var/tmp/from_scwrl_14974896.pdb > /var/tmp/scwrl_14974896.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_14974896.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 194 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1530685745.pdb -s /var/tmp/to_scwrl_1530685745.seq -o /var/tmp/from_scwrl_1530685745.pdb > /var/tmp/scwrl_1530685745.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1530685745.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 T0379 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1103308560.pdb -s /var/tmp/to_scwrl_1103308560.seq -o /var/tmp/from_scwrl_1103308560.pdb > /var/tmp/scwrl_1103308560.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1103308560.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL2.pdb.gz looking for model 1 Skipped atom 11, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 304, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_866801811.pdb -s /var/tmp/to_scwrl_866801811.seq -o /var/tmp/from_scwrl_866801811.pdb > /var/tmp/scwrl_866801811.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_866801811.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 Skipped atom 806, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 808, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 810, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 812, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_485882740.pdb -s /var/tmp/to_scwrl_485882740.seq -o /var/tmp/from_scwrl_485882740.pdb > /var/tmp/scwrl_485882740.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_485882740.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 T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_571639480.pdb -s /var/tmp/to_scwrl_571639480.seq -o /var/tmp/from_scwrl_571639480.pdb > /var/tmp/scwrl_571639480.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_571639480.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL4-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL5.pdb.gz looking for model 1 Skipped atom 34, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 36, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 98, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 100, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 190, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 192, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 194, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 196, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 246, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 248, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 250, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 252, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 486, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 488, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 490, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 492, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1094896597.pdb -s /var/tmp/to_scwrl_1094896597.seq -o /var/tmp/from_scwrl_1094896597.pdb > /var/tmp/scwrl_1094896597.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1094896597.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL5-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL1.pdb.gz looking for model 1 Skipped atom 11, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 304, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2061762823.pdb -s /var/tmp/to_scwrl_2061762823.seq -o /var/tmp/from_scwrl_2061762823.pdb > /var/tmp/scwrl_2061762823.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2061762823.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 T0379 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_208644062.pdb -s /var/tmp/to_scwrl_208644062.seq -o /var/tmp/from_scwrl_208644062.pdb > /var/tmp/scwrl_208644062.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_208644062.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 Skipped atom 34, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 36, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 98, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 100, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 190, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 192, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 194, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 196, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 246, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 248, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 250, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 252, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 486, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 488, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 490, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 492, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_14021567.pdb -s /var/tmp/to_scwrl_14021567.seq -o /var/tmp/from_scwrl_14021567.pdb > /var/tmp/scwrl_14021567.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_14021567.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 T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_18289682.pdb -s /var/tmp/to_scwrl_18289682.seq -o /var/tmp/from_scwrl_18289682.pdb > /var/tmp/scwrl_18289682.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_18289682.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 T0379 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_469986730.pdb -s /var/tmp/to_scwrl_469986730.seq -o /var/tmp/from_scwrl_469986730.pdb > /var/tmp/scwrl_469986730.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_469986730.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 170 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1711579509.pdb -s /var/tmp/to_scwrl_1711579509.seq -o /var/tmp/from_scwrl_1711579509.pdb > /var/tmp/scwrl_1711579509.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1711579509.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 200 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1491013159.pdb -s /var/tmp/to_scwrl_1491013159.seq -o /var/tmp/from_scwrl_1491013159.pdb > /var/tmp/scwrl_1491013159.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1491013159.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 129 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1439152426.pdb -s /var/tmp/to_scwrl_1439152426.seq -o /var/tmp/from_scwrl_1439152426.pdb > /var/tmp/scwrl_1439152426.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1439152426.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 166 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_613700613.pdb -s /var/tmp/to_scwrl_613700613.seq -o /var/tmp/from_scwrl_613700613.pdb > /var/tmp/scwrl_613700613.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_613700613.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 194 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_168144444.pdb -s /var/tmp/to_scwrl_168144444.seq -o /var/tmp/from_scwrl_168144444.pdb > /var/tmp/scwrl_168144444.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_168144444.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 T0379 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_738992223.pdb -s /var/tmp/to_scwrl_738992223.seq -o /var/tmp/from_scwrl_738992223.pdb > /var/tmp/scwrl_738992223.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_738992223.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1785559999.pdb -s /var/tmp/to_scwrl_1785559999.seq -o /var/tmp/from_scwrl_1785559999.pdb > /var/tmp/scwrl_1785559999.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1785559999.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1692047606.pdb -s /var/tmp/to_scwrl_1692047606.seq -o /var/tmp/from_scwrl_1692047606.pdb > /var/tmp/scwrl_1692047606.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1692047606.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # Found a chain break before 49 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_443437312.pdb -s /var/tmp/to_scwrl_443437312.seq -o /var/tmp/from_scwrl_443437312.pdb > /var/tmp/scwrl_443437312.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_443437312.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 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_867751960.pdb -s /var/tmp/to_scwrl_867751960.seq -o /var/tmp/from_scwrl_867751960.pdb > /var/tmp/scwrl_867751960.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_867751960.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 T0379 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_166836978.pdb -s /var/tmp/to_scwrl_166836978.seq -o /var/tmp/from_scwrl_166836978.pdb > /var/tmp/scwrl_166836978.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_166836978.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 T0379 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1180437442.pdb -s /var/tmp/to_scwrl_1180437442.seq -o /var/tmp/from_scwrl_1180437442.pdb > /var/tmp/scwrl_1180437442.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1180437442.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 T0379 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_113574040.pdb -s /var/tmp/to_scwrl_113574040.seq -o /var/tmp/from_scwrl_113574040.pdb > /var/tmp/scwrl_113574040.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_113574040.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 T0379 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_142829245.pdb -s /var/tmp/to_scwrl_142829245.seq -o /var/tmp/from_scwrl_142829245.pdb > /var/tmp/scwrl_142829245.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_142829245.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL4-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1253989935.pdb -s /var/tmp/to_scwrl_1253989935.seq -o /var/tmp/from_scwrl_1253989935.pdb > /var/tmp/scwrl_1253989935.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1253989935.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 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_442637000.pdb -s /var/tmp/to_scwrl_442637000.seq -o /var/tmp/from_scwrl_442637000.pdb > /var/tmp/scwrl_442637000.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_442637000.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 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1379381788.pdb -s /var/tmp/to_scwrl_1379381788.seq -o /var/tmp/from_scwrl_1379381788.pdb > /var/tmp/scwrl_1379381788.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1379381788.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 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1711347735.pdb -s /var/tmp/to_scwrl_1711347735.seq -o /var/tmp/from_scwrl_1711347735.pdb > /var/tmp/scwrl_1711347735.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1711347735.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 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_441935663.pdb -s /var/tmp/to_scwrl_441935663.seq -o /var/tmp/from_scwrl_441935663.pdb > /var/tmp/scwrl_441935663.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_441935663.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 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1394356684.pdb -s /var/tmp/to_scwrl_1394356684.seq -o /var/tmp/from_scwrl_1394356684.pdb > /var/tmp/scwrl_1394356684.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1394356684.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 118 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1094549833.pdb -s /var/tmp/to_scwrl_1094549833.seq -o /var/tmp/from_scwrl_1094549833.pdb > /var/tmp/scwrl_1094549833.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1094549833.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 174 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1545244223.pdb -s /var/tmp/to_scwrl_1545244223.seq -o /var/tmp/from_scwrl_1545244223.pdb > /var/tmp/scwrl_1545244223.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1545244223.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 100 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_113674848.pdb -s /var/tmp/to_scwrl_113674848.seq -o /var/tmp/from_scwrl_113674848.pdb > /var/tmp/scwrl_113674848.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_113674848.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 176 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1580432573.pdb -s /var/tmp/to_scwrl_1580432573.seq -o /var/tmp/from_scwrl_1580432573.pdb > /var/tmp/scwrl_1580432573.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1580432573.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 115 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2116883704.pdb -s /var/tmp/to_scwrl_2116883704.seq -o /var/tmp/from_scwrl_2116883704.pdb > /var/tmp/scwrl_2116883704.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2116883704.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 T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1208571445.pdb -s /var/tmp/to_scwrl_1208571445.seq -o /var/tmp/from_scwrl_1208571445.pdb > /var/tmp/scwrl_1208571445.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1208571445.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 T0379 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1494711750.pdb -s /var/tmp/to_scwrl_1494711750.seq -o /var/tmp/from_scwrl_1494711750.pdb > /var/tmp/scwrl_1494711750.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1494711750.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_178044119.pdb -s /var/tmp/to_scwrl_178044119.seq -o /var/tmp/from_scwrl_178044119.pdb > /var/tmp/scwrl_178044119.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_178044119.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 T0379 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1222593013.pdb -s /var/tmp/to_scwrl_1222593013.seq -o /var/tmp/from_scwrl_1222593013.pdb > /var/tmp/scwrl_1222593013.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1222593013.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 82 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1513001432.pdb -s /var/tmp/to_scwrl_1513001432.seq -o /var/tmp/from_scwrl_1513001432.pdb > /var/tmp/scwrl_1513001432.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1513001432.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 49 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_648030850.pdb -s /var/tmp/to_scwrl_648030850.seq -o /var/tmp/from_scwrl_648030850.pdb > /var/tmp/scwrl_648030850.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_648030850.pdb # conformation set from SCWRL output # naming current conformation HHpred2_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred3_TS1.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_786688876.pdb -s /var/tmp/to_scwrl_786688876.seq -o /var/tmp/from_scwrl_786688876.pdb > /var/tmp/scwrl_786688876.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_786688876.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 T0379 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_856530945.pdb -s /var/tmp/to_scwrl_856530945.seq -o /var/tmp/from_scwrl_856530945.pdb > /var/tmp/scwrl_856530945.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_856530945.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 T0379 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2087183276.pdb -s /var/tmp/to_scwrl_2087183276.seq -o /var/tmp/from_scwrl_2087183276.pdb > /var/tmp/scwrl_2087183276.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2087183276.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 T0379 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1400389488.pdb -s /var/tmp/to_scwrl_1400389488.seq -o /var/tmp/from_scwrl_1400389488.pdb > /var/tmp/scwrl_1400389488.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1400389488.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 T0379 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1024675389.pdb -s /var/tmp/to_scwrl_1024675389.seq -o /var/tmp/from_scwrl_1024675389.pdb > /var/tmp/scwrl_1024675389.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1024675389.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 T0379 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_678691852.pdb -s /var/tmp/to_scwrl_678691852.seq -o /var/tmp/from_scwrl_678691852.pdb > /var/tmp/scwrl_678691852.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_678691852.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 T0379 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1038465841.pdb -s /var/tmp/to_scwrl_1038465841.seq -o /var/tmp/from_scwrl_1038465841.pdb > /var/tmp/scwrl_1038465841.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1038465841.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 T0379 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_569239349.pdb -s /var/tmp/to_scwrl_569239349.seq -o /var/tmp/from_scwrl_569239349.pdb > /var/tmp/scwrl_569239349.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_569239349.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 T0379 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1122129164.pdb -s /var/tmp/to_scwrl_1122129164.seq -o /var/tmp/from_scwrl_1122129164.pdb > /var/tmp/scwrl_1122129164.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1122129164.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 T0379 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1906217801.pdb -s /var/tmp/to_scwrl_1906217801.seq -o /var/tmp/from_scwrl_1906217801.pdb > /var/tmp/scwrl_1906217801.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1906217801.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 T0379 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_736076327.pdb -s /var/tmp/to_scwrl_736076327.seq -o /var/tmp/from_scwrl_736076327.pdb > /var/tmp/scwrl_736076327.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_736076327.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 T0379 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_155082960.pdb -s /var/tmp/to_scwrl_155082960.seq -o /var/tmp/from_scwrl_155082960.pdb > /var/tmp/scwrl_155082960.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_155082960.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 198 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2019791841.pdb -s /var/tmp/to_scwrl_2019791841.seq -o /var/tmp/from_scwrl_2019791841.pdb > /var/tmp/scwrl_2019791841.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2019791841.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 197 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_878905573.pdb -s /var/tmp/to_scwrl_878905573.seq -o /var/tmp/from_scwrl_878905573.pdb > /var/tmp/scwrl_878905573.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_878905573.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 202 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1409072895.pdb -s /var/tmp/to_scwrl_1409072895.seq -o /var/tmp/from_scwrl_1409072895.pdb > /var/tmp/scwrl_1409072895.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1409072895.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 197 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_314945194.pdb -s /var/tmp/to_scwrl_314945194.seq -o /var/tmp/from_scwrl_314945194.pdb > /var/tmp/scwrl_314945194.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_314945194.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 118 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_110803714.pdb -s /var/tmp/to_scwrl_110803714.seq -o /var/tmp/from_scwrl_110803714.pdb > /var/tmp/scwrl_110803714.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_110803714.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 147 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_972936984.pdb -s /var/tmp/to_scwrl_972936984.seq -o /var/tmp/from_scwrl_972936984.pdb > /var/tmp/scwrl_972936984.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_972936984.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 202 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_756880857.pdb -s /var/tmp/to_scwrl_756880857.seq -o /var/tmp/from_scwrl_756880857.pdb > /var/tmp/scwrl_756880857.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_756880857.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 131 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1505160398.pdb -s /var/tmp/to_scwrl_1505160398.seq -o /var/tmp/from_scwrl_1505160398.pdb > /var/tmp/scwrl_1505160398.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1505160398.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS4.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2067486818.pdb -s /var/tmp/to_scwrl_2067486818.seq -o /var/tmp/from_scwrl_2067486818.pdb > /var/tmp/scwrl_2067486818.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2067486818.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 128 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_154641434.pdb -s /var/tmp/to_scwrl_154641434.seq -o /var/tmp/from_scwrl_154641434.pdb > /var/tmp/scwrl_154641434.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_154641434.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 190 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1618835247.pdb -s /var/tmp/to_scwrl_1618835247.seq -o /var/tmp/from_scwrl_1618835247.pdb > /var/tmp/scwrl_1618835247.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1618835247.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 190 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1500435744.pdb -s /var/tmp/to_scwrl_1500435744.seq -o /var/tmp/from_scwrl_1500435744.pdb > /var/tmp/scwrl_1500435744.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1500435744.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS2-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS3.pdb.gz looking for model 1 # Found a chain break before 205 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_124041491.pdb -s /var/tmp/to_scwrl_124041491.seq -o /var/tmp/from_scwrl_124041491.pdb > /var/tmp/scwrl_124041491.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_124041491.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS3-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS4.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_679923046.pdb -s /var/tmp/to_scwrl_679923046.seq -o /var/tmp/from_scwrl_679923046.pdb > /var/tmp/scwrl_679923046.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_679923046.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS4-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS5.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_847663848.pdb -s /var/tmp/to_scwrl_847663848.seq -o /var/tmp/from_scwrl_847663848.pdb > /var/tmp/scwrl_847663848.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_847663848.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS5-scwrl # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_302085610.pdb -s /var/tmp/to_scwrl_302085610.seq -o /var/tmp/from_scwrl_302085610.pdb > /var/tmp/scwrl_302085610.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_302085610.pdb # conformation set from SCWRL output # naming current conformation NN_PUT_lab_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1902516059.pdb -s /var/tmp/to_scwrl_1902516059.seq -o /var/tmp/from_scwrl_1902516059.pdb > /var/tmp/scwrl_1902516059.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1902516059.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 # Found a chain break before 135 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_213181633.pdb -s /var/tmp/to_scwrl_213181633.seq -o /var/tmp/from_scwrl_213181633.pdb > /var/tmp/scwrl_213181633.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_213181633.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 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_950116460.pdb -s /var/tmp/to_scwrl_950116460.seq -o /var/tmp/from_scwrl_950116460.pdb > /var/tmp/scwrl_950116460.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_950116460.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 # Found a chain break before 120 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_541721288.pdb -s /var/tmp/to_scwrl_541721288.seq -o /var/tmp/from_scwrl_541721288.pdb > /var/tmp/scwrl_541721288.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_541721288.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 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1069712578.pdb -s /var/tmp/to_scwrl_1069712578.seq -o /var/tmp/from_scwrl_1069712578.pdb > /var/tmp/scwrl_1069712578.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1069712578.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 135 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_889816090.pdb -s /var/tmp/to_scwrl_889816090.seq -o /var/tmp/from_scwrl_889816090.pdb > /var/tmp/scwrl_889816090.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_889816090.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 198 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1942110777.pdb -s /var/tmp/to_scwrl_1942110777.seq -o /var/tmp/from_scwrl_1942110777.pdb > /var/tmp/scwrl_1942110777.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1942110777.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 189 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2094387967.pdb -s /var/tmp/to_scwrl_2094387967.seq -o /var/tmp/from_scwrl_2094387967.pdb > /var/tmp/scwrl_2094387967.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2094387967.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 133 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1568507941.pdb -s /var/tmp/to_scwrl_1568507941.seq -o /var/tmp/from_scwrl_1568507941.pdb > /var/tmp/scwrl_1568507941.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1568507941.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 200 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_833092971.pdb -s /var/tmp/to_scwrl_833092971.seq -o /var/tmp/from_scwrl_833092971.pdb > /var/tmp/scwrl_833092971.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_833092971.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 T0379 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_516143669.pdb -s /var/tmp/to_scwrl_516143669.seq -o /var/tmp/from_scwrl_516143669.pdb > /var/tmp/scwrl_516143669.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_516143669.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 T0379 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_543153459.pdb -s /var/tmp/to_scwrl_543153459.seq -o /var/tmp/from_scwrl_543153459.pdb > /var/tmp/scwrl_543153459.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_543153459.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 T0379 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_591827125.pdb -s /var/tmp/to_scwrl_591827125.seq -o /var/tmp/from_scwrl_591827125.pdb > /var/tmp/scwrl_591827125.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_591827125.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 T0379 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1252219995.pdb -s /var/tmp/to_scwrl_1252219995.seq -o /var/tmp/from_scwrl_1252219995.pdb > /var/tmp/scwrl_1252219995.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1252219995.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 T0379 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_698236419.pdb -s /var/tmp/to_scwrl_698236419.seq -o /var/tmp/from_scwrl_698236419.pdb > /var/tmp/scwrl_698236419.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_698236419.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 T0379 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_464135320.pdb -s /var/tmp/to_scwrl_464135320.seq -o /var/tmp/from_scwrl_464135320.pdb > /var/tmp/scwrl_464135320.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_464135320.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 T0379 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 188 ; scwrl3 -i /var/tmp/to_scwrl_2131125568.pdb -s /var/tmp/to_scwrl_2131125568.seq -o /var/tmp/from_scwrl_2131125568.pdb > /var/tmp/scwrl_2131125568.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2131125568.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2107309315.pdb -s /var/tmp/to_scwrl_2107309315.seq -o /var/tmp/from_scwrl_2107309315.pdb > /var/tmp/scwrl_2107309315.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2107309315.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # Found a chain break before 195 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_779080514.pdb -s /var/tmp/to_scwrl_779080514.seq -o /var/tmp/from_scwrl_779080514.pdb > /var/tmp/scwrl_779080514.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_779080514.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_94445635.pdb -s /var/tmp/to_scwrl_94445635.seq -o /var/tmp/from_scwrl_94445635.pdb > /var/tmp/scwrl_94445635.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_94445635.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 T0379 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 188 ; scwrl3 -i /var/tmp/to_scwrl_932762652.pdb -s /var/tmp/to_scwrl_932762652.seq -o /var/tmp/from_scwrl_932762652.pdb > /var/tmp/scwrl_932762652.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_932762652.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 118 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1535961371.pdb -s /var/tmp/to_scwrl_1535961371.seq -o /var/tmp/from_scwrl_1535961371.pdb > /var/tmp/scwrl_1535961371.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1535961371.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 118 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1599606034.pdb -s /var/tmp/to_scwrl_1599606034.seq -o /var/tmp/from_scwrl_1599606034.pdb > /var/tmp/scwrl_1599606034.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1599606034.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 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_852765823.pdb -s /var/tmp/to_scwrl_852765823.seq -o /var/tmp/from_scwrl_852765823.pdb > /var/tmp/scwrl_852765823.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_852765823.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1690602805.pdb -s /var/tmp/to_scwrl_1690602805.seq -o /var/tmp/from_scwrl_1690602805.pdb > /var/tmp/scwrl_1690602805.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1690602805.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 T0379 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1070957635.pdb -s /var/tmp/to_scwrl_1070957635.seq -o /var/tmp/from_scwrl_1070957635.pdb > /var/tmp/scwrl_1070957635.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1070957635.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 147 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_205717921.pdb -s /var/tmp/to_scwrl_205717921.seq -o /var/tmp/from_scwrl_205717921.pdb > /var/tmp/scwrl_205717921.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_205717921.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 147 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1814644296.pdb -s /var/tmp/to_scwrl_1814644296.seq -o /var/tmp/from_scwrl_1814644296.pdb > /var/tmp/scwrl_1814644296.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1814644296.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS3.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1750880680.pdb -s /var/tmp/to_scwrl_1750880680.seq -o /var/tmp/from_scwrl_1750880680.pdb > /var/tmp/scwrl_1750880680.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1750880680.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 # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1053381769.pdb -s /var/tmp/to_scwrl_1053381769.seq -o /var/tmp/from_scwrl_1053381769.pdb > /var/tmp/scwrl_1053381769.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1053381769.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 175 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2116729906.pdb -s /var/tmp/to_scwrl_2116729906.seq -o /var/tmp/from_scwrl_2116729906.pdb > /var/tmp/scwrl_2116729906.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2116729906.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 189 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1505913093.pdb -s /var/tmp/to_scwrl_1505913093.seq -o /var/tmp/from_scwrl_1505913093.pdb > /var/tmp/scwrl_1505913093.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1505913093.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 147 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1266563402.pdb -s /var/tmp/to_scwrl_1266563402.seq -o /var/tmp/from_scwrl_1266563402.pdb > /var/tmp/scwrl_1266563402.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1266563402.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 2 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_919362720.pdb -s /var/tmp/to_scwrl_919362720.seq -o /var/tmp/from_scwrl_919362720.pdb > /var/tmp/scwrl_919362720.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_919362720.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS4.pdb.gz looking for model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2047634381.pdb -s /var/tmp/to_scwrl_2047634381.seq -o /var/tmp/from_scwrl_2047634381.pdb > /var/tmp/scwrl_2047634381.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2047634381.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 197 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_188792333.pdb -s /var/tmp/to_scwrl_188792333.seq -o /var/tmp/from_scwrl_188792333.pdb > /var/tmp/scwrl_188792333.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_188792333.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 199 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1809178809.pdb -s /var/tmp/to_scwrl_1809178809.seq -o /var/tmp/from_scwrl_1809178809.pdb > /var/tmp/scwrl_1809178809.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1809178809.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS2.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1842261511.pdb -s /var/tmp/to_scwrl_1842261511.seq -o /var/tmp/from_scwrl_1842261511.pdb > /var/tmp/scwrl_1842261511.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1842261511.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 199 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_135696653.pdb -s /var/tmp/to_scwrl_135696653.seq -o /var/tmp/from_scwrl_135696653.pdb > /var/tmp/scwrl_135696653.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_135696653.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 130 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1230203103.pdb -s /var/tmp/to_scwrl_1230203103.seq -o /var/tmp/from_scwrl_1230203103.pdb > /var/tmp/scwrl_1230203103.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1230203103.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS4-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS5.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_527870836.pdb -s /var/tmp/to_scwrl_527870836.seq -o /var/tmp/from_scwrl_527870836.pdb > /var/tmp/scwrl_527870836.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_527870836.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 118 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_651840322.pdb -s /var/tmp/to_scwrl_651840322.seq -o /var/tmp/from_scwrl_651840322.pdb > /var/tmp/scwrl_651840322.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_651840322.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 114 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1773356563.pdb -s /var/tmp/to_scwrl_1773356563.seq -o /var/tmp/from_scwrl_1773356563.pdb > /var/tmp/scwrl_1773356563.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1773356563.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 118 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1119697960.pdb -s /var/tmp/to_scwrl_1119697960.seq -o /var/tmp/from_scwrl_1119697960.pdb > /var/tmp/scwrl_1119697960.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1119697960.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 118 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1904060318.pdb -s /var/tmp/to_scwrl_1904060318.seq -o /var/tmp/from_scwrl_1904060318.pdb > /var/tmp/scwrl_1904060318.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1904060318.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 118 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_324109335.pdb -s /var/tmp/to_scwrl_324109335.seq -o /var/tmp/from_scwrl_324109335.pdb > /var/tmp/scwrl_324109335.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_324109335.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 132 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1583833280.pdb -s /var/tmp/to_scwrl_1583833280.seq -o /var/tmp/from_scwrl_1583833280.pdb > /var/tmp/scwrl_1583833280.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1583833280.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 184 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1887702239.pdb -s /var/tmp/to_scwrl_1887702239.seq -o /var/tmp/from_scwrl_1887702239.pdb > /var/tmp/scwrl_1887702239.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1887702239.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 40 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_283935003.pdb -s /var/tmp/to_scwrl_283935003.seq -o /var/tmp/from_scwrl_283935003.pdb > /var/tmp/scwrl_283935003.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_283935003.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 192 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_215430148.pdb -s /var/tmp/to_scwrl_215430148.seq -o /var/tmp/from_scwrl_215430148.pdb > /var/tmp/scwrl_215430148.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_215430148.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 40 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1982147875.pdb -s /var/tmp/to_scwrl_1982147875.seq -o /var/tmp/from_scwrl_1982147875.pdb > /var/tmp/scwrl_1982147875.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1982147875.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1216697655.pdb -s /var/tmp/to_scwrl_1216697655.seq -o /var/tmp/from_scwrl_1216697655.pdb > /var/tmp/scwrl_1216697655.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1216697655.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 T0379 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1751391519.pdb -s /var/tmp/to_scwrl_1751391519.seq -o /var/tmp/from_scwrl_1751391519.pdb > /var/tmp/scwrl_1751391519.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1751391519.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 T0379 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1434270262.pdb -s /var/tmp/to_scwrl_1434270262.seq -o /var/tmp/from_scwrl_1434270262.pdb > /var/tmp/scwrl_1434270262.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1434270262.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 310, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 312, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 314, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 316, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 362, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 364, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 366, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 368, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 382, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 384, 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 388, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 390, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 392, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 394, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 396, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 666, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 668, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 670, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz Skipped atom 672, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL4.pdb.gz # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2069463478.pdb -s /var/tmp/to_scwrl_2069463478.seq -o /var/tmp/from_scwrl_2069463478.pdb > /var/tmp/scwrl_2069463478.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2069463478.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 T0379 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1294510677.pdb -s /var/tmp/to_scwrl_1294510677.seq -o /var/tmp/from_scwrl_1294510677.pdb > /var/tmp/scwrl_1294510677.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1294510677.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 T0379 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_357744250.pdb -s /var/tmp/to_scwrl_357744250.seq -o /var/tmp/from_scwrl_357744250.pdb > /var/tmp/scwrl_357744250.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_357744250.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 T0379 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_127697752.pdb -s /var/tmp/to_scwrl_127697752.seq -o /var/tmp/from_scwrl_127697752.pdb > /var/tmp/scwrl_127697752.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_127697752.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 T0379 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_961671327.pdb -s /var/tmp/to_scwrl_961671327.seq -o /var/tmp/from_scwrl_961671327.pdb > /var/tmp/scwrl_961671327.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_961671327.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 T0379 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2108624930.pdb -s /var/tmp/to_scwrl_2108624930.seq -o /var/tmp/from_scwrl_2108624930.pdb > /var/tmp/scwrl_2108624930.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2108624930.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1181079521.pdb -s /var/tmp/to_scwrl_1181079521.seq -o /var/tmp/from_scwrl_1181079521.pdb > /var/tmp/scwrl_1181079521.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1181079521.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 206 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_930917586.pdb -s /var/tmp/to_scwrl_930917586.seq -o /var/tmp/from_scwrl_930917586.pdb > /var/tmp/scwrl_930917586.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_930917586.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 T0379 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1467054376.pdb -s /var/tmp/to_scwrl_1467054376.seq -o /var/tmp/from_scwrl_1467054376.pdb > /var/tmp/scwrl_1467054376.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1467054376.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 T0379 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_300159277.pdb -s /var/tmp/to_scwrl_300159277.seq -o /var/tmp/from_scwrl_300159277.pdb > /var/tmp/scwrl_300159277.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_300159277.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 T0379 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1850280305.pdb -s /var/tmp/to_scwrl_1850280305.seq -o /var/tmp/from_scwrl_1850280305.pdb > /var/tmp/scwrl_1850280305.log sh: line 1: 4723 Killed scwrl3 -i /var/tmp/to_scwrl_1850280305.pdb -s /var/tmp/to_scwrl_1850280305.seq -o /var/tmp/from_scwrl_1850280305.pdb >/var/tmp/scwrl_1850280305.log Error: Couldn't open file /var/tmp/from_scwrl_1850280305.pdb or /var/tmp/from_scwrl_1850280305.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1850280305_b.pdb or decoys//var/tmp/from_scwrl_1850280305_b.pdb.gz for input Trying /var/tmp/from_scwrl_1850280305_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1850280305_b.pdb or /var/tmp/from_scwrl_1850280305_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1850280305_a.pdb or decoys//var/tmp/from_scwrl_1850280305_a.pdb.gz for input Trying /var/tmp/from_scwrl_1850280305_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1850280305_a.pdb or /var/tmp/from_scwrl_1850280305_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1850280305.pdb or /var/tmp/from_scwrl_1850280305_b.pdb or /var/tmp/from_scwrl_1850280305_a.pdb Error: no new SCWRL conformation added # naming current conformation SAM_T06_server_TS4-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1367205111.pdb -s /var/tmp/to_scwrl_1367205111.seq -o /var/tmp/from_scwrl_1367205111.pdb > /var/tmp/scwrl_1367205111.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1367205111.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 147 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_488951610.pdb -s /var/tmp/to_scwrl_488951610.seq -o /var/tmp/from_scwrl_488951610.pdb > /var/tmp/scwrl_488951610.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_488951610.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 72 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1511975467.pdb -s /var/tmp/to_scwrl_1511975467.seq -o /var/tmp/from_scwrl_1511975467.pdb > /var/tmp/scwrl_1511975467.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1511975467.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 203 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1061982976.pdb -s /var/tmp/to_scwrl_1061982976.seq -o /var/tmp/from_scwrl_1061982976.pdb > /var/tmp/scwrl_1061982976.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1061982976.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 85 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_624648264.pdb -s /var/tmp/to_scwrl_624648264.seq -o /var/tmp/from_scwrl_624648264.pdb > /var/tmp/scwrl_624648264.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_624648264.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 184 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_594694925.pdb -s /var/tmp/to_scwrl_594694925.seq -o /var/tmp/from_scwrl_594694925.pdb > /var/tmp/scwrl_594694925.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_594694925.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 188 ; scwrl3 -i /var/tmp/to_scwrl_1589853811.pdb -s /var/tmp/to_scwrl_1589853811.seq -o /var/tmp/from_scwrl_1589853811.pdb > /var/tmp/scwrl_1589853811.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1589853811.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 42 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1276488585.pdb -s /var/tmp/to_scwrl_1276488585.seq -o /var/tmp/from_scwrl_1276488585.pdb > /var/tmp/scwrl_1276488585.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1276488585.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 199 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_220567841.pdb -s /var/tmp/to_scwrl_220567841.seq -o /var/tmp/from_scwrl_220567841.pdb > /var/tmp/scwrl_220567841.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_220567841.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 85 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_562068126.pdb -s /var/tmp/to_scwrl_562068126.seq -o /var/tmp/from_scwrl_562068126.pdb > /var/tmp/scwrl_562068126.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_562068126.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 184 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1033065257.pdb -s /var/tmp/to_scwrl_1033065257.seq -o /var/tmp/from_scwrl_1033065257.pdb > /var/tmp/scwrl_1033065257.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1033065257.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 147 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_544677176.pdb -s /var/tmp/to_scwrl_544677176.seq -o /var/tmp/from_scwrl_544677176.pdb > /var/tmp/scwrl_544677176.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_544677176.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 54 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2145901406.pdb -s /var/tmp/to_scwrl_2145901406.seq -o /var/tmp/from_scwrl_2145901406.pdb > /var/tmp/scwrl_2145901406.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2145901406.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 31 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_773283850.pdb -s /var/tmp/to_scwrl_773283850.seq -o /var/tmp/from_scwrl_773283850.pdb > /var/tmp/scwrl_773283850.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_773283850.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 128 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_828612180.pdb -s /var/tmp/to_scwrl_828612180.seq -o /var/tmp/from_scwrl_828612180.pdb > /var/tmp/scwrl_828612180.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_828612180.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 58 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_213847907.pdb -s /var/tmp/to_scwrl_213847907.seq -o /var/tmp/from_scwrl_213847907.pdb > /var/tmp/scwrl_213847907.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_213847907.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 T0379 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_607948078.pdb -s /var/tmp/to_scwrl_607948078.seq -o /var/tmp/from_scwrl_607948078.pdb > /var/tmp/scwrl_607948078.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_607948078.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 T0379 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2045309835.pdb -s /var/tmp/to_scwrl_2045309835.seq -o /var/tmp/from_scwrl_2045309835.pdb > /var/tmp/scwrl_2045309835.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2045309835.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 T0379 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1965239426.pdb -s /var/tmp/to_scwrl_1965239426.seq -o /var/tmp/from_scwrl_1965239426.pdb > /var/tmp/scwrl_1965239426.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1965239426.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 T0379 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2042218340.pdb -s /var/tmp/to_scwrl_2042218340.seq -o /var/tmp/from_scwrl_2042218340.pdb > /var/tmp/scwrl_2042218340.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2042218340.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 T0379 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1967289666.pdb -s /var/tmp/to_scwrl_1967289666.seq -o /var/tmp/from_scwrl_1967289666.pdb > /var/tmp/scwrl_1967289666.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1967289666.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 T0379 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 188 ; scwrl3 -i /var/tmp/to_scwrl_1112266456.pdb -s /var/tmp/to_scwrl_1112266456.seq -o /var/tmp/from_scwrl_1112266456.pdb > /var/tmp/scwrl_1112266456.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1112266456.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 T0379 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_252478943.pdb -s /var/tmp/to_scwrl_252478943.seq -o /var/tmp/from_scwrl_252478943.pdb > /var/tmp/scwrl_252478943.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_252478943.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 T0379 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2094987419.pdb -s /var/tmp/to_scwrl_2094987419.seq -o /var/tmp/from_scwrl_2094987419.pdb > /var/tmp/scwrl_2094987419.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2094987419.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 T0379 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2073937783.pdb -s /var/tmp/to_scwrl_2073937783.seq -o /var/tmp/from_scwrl_2073937783.pdb > /var/tmp/scwrl_2073937783.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2073937783.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL3-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_213620226.pdb -s /var/tmp/to_scwrl_213620226.seq -o /var/tmp/from_scwrl_213620226.pdb > /var/tmp/scwrl_213620226.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_213620226.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 T0379 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1128583293.pdb -s /var/tmp/to_scwrl_1128583293.seq -o /var/tmp/from_scwrl_1128583293.pdb > /var/tmp/scwrl_1128583293.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1128583293.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 123 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_857371723.pdb -s /var/tmp/to_scwrl_857371723.seq -o /var/tmp/from_scwrl_857371723.pdb > /var/tmp/scwrl_857371723.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_857371723.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 125 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1680674603.pdb -s /var/tmp/to_scwrl_1680674603.seq -o /var/tmp/from_scwrl_1680674603.pdb > /var/tmp/scwrl_1680674603.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1680674603.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 125 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1428742570.pdb -s /var/tmp/to_scwrl_1428742570.seq -o /var/tmp/from_scwrl_1428742570.pdb > /var/tmp/scwrl_1428742570.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1428742570.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS3-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS4.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_560168381.pdb -s /var/tmp/to_scwrl_560168381.seq -o /var/tmp/from_scwrl_560168381.pdb > /var/tmp/scwrl_560168381.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_560168381.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 205 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_900396068.pdb -s /var/tmp/to_scwrl_900396068.seq -o /var/tmp/from_scwrl_900396068.pdb > /var/tmp/scwrl_900396068.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_900396068.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS5-scwrl # ReadConformPDB reading from PDB file servers/beautshot_TS1.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1917694180.pdb -s /var/tmp/to_scwrl_1917694180.seq -o /var/tmp/from_scwrl_1917694180.pdb > /var/tmp/scwrl_1917694180.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1917694180.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 T0379 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2072143849.pdb -s /var/tmp/to_scwrl_2072143849.seq -o /var/tmp/from_scwrl_2072143849.pdb > /var/tmp/scwrl_2072143849.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2072143849.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 T0379 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1962379043.pdb -s /var/tmp/to_scwrl_1962379043.seq -o /var/tmp/from_scwrl_1962379043.pdb > /var/tmp/scwrl_1962379043.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1962379043.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 Skipped atom 766, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 768, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 770, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 772, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 774, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 776, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 778, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 780, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_394858797.pdb -s /var/tmp/to_scwrl_394858797.seq -o /var/tmp/from_scwrl_394858797.pdb > /var/tmp/scwrl_394858797.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_394858797.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL2-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_519355127.pdb -s /var/tmp/to_scwrl_519355127.seq -o /var/tmp/from_scwrl_519355127.pdb > /var/tmp/scwrl_519355127.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_519355127.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 T0379 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 188 ; scwrl3 -i /var/tmp/to_scwrl_1404749208.pdb -s /var/tmp/to_scwrl_1404749208.seq -o /var/tmp/from_scwrl_1404749208.pdb > /var/tmp/scwrl_1404749208.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1404749208.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 T0379 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1671347383.pdb -s /var/tmp/to_scwrl_1671347383.seq -o /var/tmp/from_scwrl_1671347383.pdb > /var/tmp/scwrl_1671347383.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1671347383.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 199 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_739922968.pdb -s /var/tmp/to_scwrl_739922968.seq -o /var/tmp/from_scwrl_739922968.pdb > /var/tmp/scwrl_739922968.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_739922968.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 164 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1966817334.pdb -s /var/tmp/to_scwrl_1966817334.seq -o /var/tmp/from_scwrl_1966817334.pdb > /var/tmp/scwrl_1966817334.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1966817334.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 199 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_556928993.pdb -s /var/tmp/to_scwrl_556928993.seq -o /var/tmp/from_scwrl_556928993.pdb > /var/tmp/scwrl_556928993.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_556928993.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 194 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1284600143.pdb -s /var/tmp/to_scwrl_1284600143.seq -o /var/tmp/from_scwrl_1284600143.pdb > /var/tmp/scwrl_1284600143.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1284600143.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 206 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1965235093.pdb -s /var/tmp/to_scwrl_1965235093.seq -o /var/tmp/from_scwrl_1965235093.pdb > /var/tmp/scwrl_1965235093.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1965235093.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0379)E57.O and (T0379)E58.N only 0.000 apart, marking (T0379)E58.N as missing WARNING: atoms too close: (T0379)M119.O and (T0379)S120.N only 0.000 apart, marking (T0379)S120.N as missing # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1330212842.pdb -s /var/tmp/to_scwrl_1330212842.seq -o /var/tmp/from_scwrl_1330212842.pdb > /var/tmp/scwrl_1330212842.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1330212842.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: (T0379)E86.O and (T0379)I87.N only 0.000 apart, marking (T0379)I87.N as missing # WARNING: incomplete conformation T0379 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 188 ; scwrl3 -i /var/tmp/to_scwrl_2113212323.pdb -s /var/tmp/to_scwrl_2113212323.seq -o /var/tmp/from_scwrl_2113212323.pdb > /var/tmp/scwrl_2113212323.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2113212323.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 205 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_31599354.pdb -s /var/tmp/to_scwrl_31599354.seq -o /var/tmp/from_scwrl_31599354.pdb > /var/tmp/scwrl_31599354.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_31599354.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: (T0379)E86.O and (T0379)I87.N only 0.000 apart, marking (T0379)I87.N as missing # WARNING: incomplete conformation T0379 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 188 ; scwrl3 -i /var/tmp/to_scwrl_1938160920.pdb -s /var/tmp/to_scwrl_1938160920.seq -o /var/tmp/from_scwrl_1938160920.pdb > /var/tmp/scwrl_1938160920.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1938160920.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS5.pdb.gz looking for model 1 WARNING: atoms too close: (T0379)N149.O and (T0379)E150.N only 0.000 apart, marking (T0379)E150.N as missing # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_2011038511.pdb -s /var/tmp/to_scwrl_2011038511.seq -o /var/tmp/from_scwrl_2011038511.pdb > /var/tmp/scwrl_2011038511.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2011038511.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 # Found a chain break before 196 # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1996838780.pdb -s /var/tmp/to_scwrl_1996838780.seq -o /var/tmp/from_scwrl_1996838780.pdb > /var/tmp/scwrl_1996838780.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1996838780.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1832895613.pdb -s /var/tmp/to_scwrl_1832895613.seq -o /var/tmp/from_scwrl_1832895613.pdb > /var/tmp/scwrl_1832895613.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1832895613.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 T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1830844531.pdb -s /var/tmp/to_scwrl_1830844531.seq -o /var/tmp/from_scwrl_1830844531.pdb > /var/tmp/scwrl_1830844531.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1830844531.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 T0379 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_961621591.pdb -s /var/tmp/to_scwrl_961621591.seq -o /var/tmp/from_scwrl_961621591.pdb > /var/tmp/scwrl_961621591.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_961621591.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 188 ; scwrl3 -i /var/tmp/to_scwrl_2085374556.pdb -s /var/tmp/to_scwrl_2085374556.seq -o /var/tmp/from_scwrl_2085374556.pdb > /var/tmp/scwrl_2085374556.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2085374556.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 188 ; scwrl3 -i /var/tmp/to_scwrl_1778348303.pdb -s /var/tmp/to_scwrl_1778348303.seq -o /var/tmp/from_scwrl_1778348303.pdb > /var/tmp/scwrl_1778348303.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1778348303.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_888075727.pdb -s /var/tmp/to_scwrl_888075727.seq -o /var/tmp/from_scwrl_888075727.pdb > /var/tmp/scwrl_888075727.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_888075727.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 188 ; scwrl3 -i /var/tmp/to_scwrl_151511136.pdb -s /var/tmp/to_scwrl_151511136.seq -o /var/tmp/from_scwrl_151511136.pdb > /var/tmp/scwrl_151511136.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_151511136.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # Found a chain break before 120 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_759447950.pdb -s /var/tmp/to_scwrl_759447950.seq -o /var/tmp/from_scwrl_759447950.pdb > /var/tmp/scwrl_759447950.log sh: line 1: 5004 Killed scwrl3 -i /var/tmp/to_scwrl_759447950.pdb -s /var/tmp/to_scwrl_759447950.seq -o /var/tmp/from_scwrl_759447950.pdb >/var/tmp/scwrl_759447950.log Error: Couldn't open file /var/tmp/from_scwrl_759447950.pdb or /var/tmp/from_scwrl_759447950.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_759447950_b.pdb or decoys//var/tmp/from_scwrl_759447950_b.pdb.gz for input Trying /var/tmp/from_scwrl_759447950_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_759447950_b.pdb or /var/tmp/from_scwrl_759447950_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_759447950_a.pdb or decoys//var/tmp/from_scwrl_759447950_a.pdb.gz for input Trying /var/tmp/from_scwrl_759447950_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_759447950_a.pdb or /var/tmp/from_scwrl_759447950_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_759447950.pdb or /var/tmp/from_scwrl_759447950_b.pdb or /var/tmp/from_scwrl_759447950_a.pdb Error: no new SCWRL conformation added # naming current conformation keasar-server_TS5-scwrl # ReadConformPDB reading from PDB file servers/mGen-3D_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1745447449.pdb -s /var/tmp/to_scwrl_1745447449.seq -o /var/tmp/from_scwrl_1745447449.pdb > /var/tmp/scwrl_1745447449.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1745447449.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 T0379 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1832185739.pdb -s /var/tmp/to_scwrl_1832185739.seq -o /var/tmp/from_scwrl_1832185739.pdb > /var/tmp/scwrl_1832185739.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1832185739.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 T0379 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_40706873.pdb -s /var/tmp/to_scwrl_40706873.seq -o /var/tmp/from_scwrl_40706873.pdb > /var/tmp/scwrl_40706873.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_40706873.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 T0379 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_158132184.pdb -s /var/tmp/to_scwrl_158132184.seq -o /var/tmp/from_scwrl_158132184.pdb > /var/tmp/scwrl_158132184.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_158132184.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 T0379 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_585098160.pdb -s /var/tmp/to_scwrl_585098160.seq -o /var/tmp/from_scwrl_585098160.pdb > /var/tmp/scwrl_585098160.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_585098160.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 T0379 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_1958401053.pdb -s /var/tmp/to_scwrl_1958401053.seq -o /var/tmp/from_scwrl_1958401053.pdb > /var/tmp/scwrl_1958401053.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1958401053.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: (T0379)E86.N and (T0379)N111.N only 0.000 apart, marking (T0379)N111.N as missing WARNING: atoms too close: (T0379)E86.CA and (T0379)N111.CA only 0.000 apart, marking (T0379)N111.CA as missing WARNING: atoms too close: (T0379)E86.CB and (T0379)N111.CB only 0.000 apart, marking (T0379)N111.CB as missing WARNING: atoms too close: (T0379)E86.CG and (T0379)N111.CG only 0.000 apart, marking (T0379)N111.CG as missing WARNING: atoms too close: (T0379)E86.O and (T0379)N111.O only 0.000 apart, marking (T0379)N111.O as missing WARNING: atoms too close: (T0379)E86.C and (T0379)N111.C only 0.000 apart, marking (T0379)N111.C as missing WARNING: atoms too close: (T0379)N111.N and (T0379)P112.N only 0.000 apart, marking (T0379)N111.N as missing WARNING: atoms too close: (T0379)E86.N and (T0379)P112.N only 0.000 apart, marking (T0379)P112.N as missing WARNING: atoms too close: (T0379)N111.CA and (T0379)P112.CA only 0.000 apart, marking (T0379)P112.CA as missing WARNING: atoms too close: (T0379)E86.CA and (T0379)P112.CA only 0.000 apart, marking (T0379)P112.CA as missing WARNING: atoms too close: (T0379)N111.CB and (T0379)P112.CB only 0.000 apart, marking (T0379)P112.CB as missing WARNING: atoms too close: (T0379)E86.CB and (T0379)P112.CB only 0.000 apart, marking (T0379)P112.CB as missing WARNING: atoms too close: (T0379)N111.O and (T0379)P112.O only 0.000 apart, marking (T0379)P112.O as missing WARNING: atoms too close: (T0379)E86.O and (T0379)P112.O only 0.000 apart, marking (T0379)P112.O as missing WARNING: atoms too close: (T0379)N111.C and (T0379)P112.C only 0.000 apart, marking (T0379)P112.C as missing WARNING: atoms too close: (T0379)E86.C and (T0379)P112.C only 0.000 apart, marking (T0379)P112.C as missing # WARNING: incomplete conformation T0379 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_82792386.pdb -s /var/tmp/to_scwrl_82792386.seq -o /var/tmp/from_scwrl_82792386.pdb > /var/tmp/scwrl_82792386.log Error: Couldn't open file /var/tmp/from_scwrl_82792386.pdb or /var/tmp/from_scwrl_82792386.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_82792386_b.pdb or decoys//var/tmp/from_scwrl_82792386_b.pdb.gz for input Trying /var/tmp/from_scwrl_82792386_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_82792386_b.pdb or /var/tmp/from_scwrl_82792386_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_82792386_a.pdb or decoys//var/tmp/from_scwrl_82792386_a.pdb.gz for input Trying /var/tmp/from_scwrl_82792386_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_82792386_a.pdb or /var/tmp/from_scwrl_82792386_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_82792386.pdb or /var/tmp/from_scwrl_82792386_b.pdb or /var/tmp/from_scwrl_82792386_a.pdb Error: no new SCWRL conformation added # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # Found a chain break before 205 # copying to AlignedFragments data structure # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 188 ; scwrl3 -i /var/tmp/to_scwrl_399993556.pdb -s /var/tmp/to_scwrl_399993556.seq -o /var/tmp/from_scwrl_399993556.pdb > /var/tmp/scwrl_399993556.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_399993556.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 95.937 sec, elapsed time= 1546.345 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 68.469 real_cost = -52.603 shub_TS1 costs 68.469 real_cost = -33.575 panther2_TS1-scwrl costs 60.717 real_cost = -25.032 nFOLD_TS5-scwrl costs 82.024 real_cost = 154.205 nFOLD_TS5 costs 82.073 real_cost = 250.509 nFOLD_TS4-scwrl costs 66.142 real_cost = 113.458 nFOLD_TS4 costs 66.111 real_cost = 218.459 nFOLD_TS3-scwrl costs 62.971 real_cost = 122.001 nFOLD_TS3 costs 62.966 real_cost = 230.616 nFOLD_TS2-scwrl costs 59.740 real_cost = 59.509 nFOLD_TS2 costs 59.733 real_cost = 172.877 nFOLD_TS1-scwrl costs 59.309 real_cost = -61.295 nFOLD_TS1 costs 59.313 real_cost = 60.227 mGen-3D_TS1-scwrl costs 57.525 real_cost = -62.827 mGen-3D_TS1 costs 57.722 real_cost = 61.002 keasar-server_TS5-scwrl costs 76.009 real_cost = 86.716 keasar-server_TS4-scwrl costs 61.471 real_cost = -43.596 keasar-server_TS4 costs 61.471 real_cost = -34.305 keasar-server_TS3-scwrl costs 65.440 real_cost = 29.312 keasar-server_TS3 costs 65.440 real_cost = 33.195 keasar-server_TS2-scwrl costs 51.823 real_cost = -65.655 keasar-server_TS2 costs 51.823 real_cost = -61.920 keasar-server_TS1-scwrl costs 60.047 real_cost = 25.707 keasar-server_TS1 costs 60.047 real_cost = 29.729 karypis.srv_TS5-scwrl costs 56.752 real_cost = 76.487 karypis.srv_TS5 costs 56.752 real_cost = 74.504 karypis.srv_TS4-scwrl costs 59.517 real_cost = 42.933 karypis.srv_TS4 costs 59.517 real_cost = 42.935 karypis.srv_TS3-scwrl costs 60.214 real_cost = 20.218 karypis.srv_TS3 costs 60.214 real_cost = 20.202 karypis.srv_TS1-scwrl costs 67.573 real_cost = 25.815 karypis.srv_TS1 costs 67.573 real_cost = 25.838 karypis.srv.4_TS5-scwrl costs 130.682 real_cost = 327.238 karypis.srv.4_TS5 costs 130.682 real_cost = 327.431 karypis.srv.4_TS4-scwrl costs 131.467 real_cost = 263.210 karypis.srv.4_TS4 costs 131.467 real_cost = 262.396 karypis.srv.4_TS3-scwrl costs 136.778 real_cost = 309.631 karypis.srv.4_TS3 costs 136.778 real_cost = 309.628 karypis.srv.4_TS2-scwrl costs 134.168 real_cost = 263.837 karypis.srv.4_TS2 costs 134.168 real_cost = 263.835 karypis.srv.4_TS1-scwrl costs 143.014 real_cost = 294.076 karypis.srv.4_TS1 costs 143.014 real_cost = 297.863 karypis.srv.2_TS5-scwrl costs 51.972 real_cost = 29.258 karypis.srv.2_TS5 costs 51.972 real_cost = 29.750 karypis.srv.2_TS4-scwrl costs 61.925 real_cost = -21.245 karypis.srv.2_TS4 costs 61.925 real_cost = -21.245 karypis.srv.2_TS3-scwrl costs 74.135 real_cost = 36.569 karypis.srv.2_TS3 costs 74.135 real_cost = 35.795 karypis.srv.2_TS2-scwrl costs 58.667 real_cost = 39.090 karypis.srv.2_TS2 costs 58.667 real_cost = 38.102 karypis.srv.2_TS1-scwrl costs 50.489 real_cost = -7.037 karypis.srv.2_TS1 costs 50.489 real_cost = -7.037 forecast-s_AL5-scwrl costs 63.792 real_cost = 65.530 forecast-s_AL5 costs 63.807 real_cost = 213.441 forecast-s_AL4-scwrl costs 61.142 real_cost = -47.219 forecast-s_AL4 costs 61.142 real_cost = 119.850 forecast-s_AL3-scwrl costs 68.958 real_cost = 80.428 forecast-s_AL3 costs 68.965 real_cost = 232.157 forecast-s_AL2-scwrl costs 59.862 real_cost = 66.266 forecast-s_AL2 costs 59.877 real_cost = 218.082 forecast-s_AL1-scwrl costs 62.064 real_cost = 38.108 forecast-s_AL1 costs 62.073 real_cost = 177.270 beautshotbase_TS1-scwrl costs 54.364 real_cost = -82.012 beautshotbase_TS1 costs 54.358 real_cost = -77.109 beautshot_TS1-scwrl costs 59.301 real_cost = -63.799 beautshot_TS1 costs 59.301 real_cost = -64.685 Zhang-Server_TS5-scwrl costs 58.964 real_cost = -97.633 Zhang-Server_TS5 costs 58.964 real_cost = -97.633 Zhang-Server_TS4-scwrl costs 52.151 real_cost = -106.372 Zhang-Server_TS4 costs 52.151 real_cost = -106.372 Zhang-Server_TS3-scwrl costs 57.014 real_cost = -111.151 Zhang-Server_TS3 costs 57.014 real_cost = -112.229 Zhang-Server_TS2-scwrl costs 53.012 real_cost = -112.413 Zhang-Server_TS2 costs 53.012 real_cost = -112.413 Zhang-Server_TS1-scwrl costs 56.006 real_cost = -104.282 Zhang-Server_TS1 costs 56.006 real_cost = -103.730 UNI-EID_sfst_AL5-scwrl costs 54.393 real_cost = 41.978 UNI-EID_sfst_AL5 costs 54.463 real_cost = 177.759 UNI-EID_sfst_AL4-scwrl costs 56.682 real_cost = 68.428 UNI-EID_sfst_AL4 costs 56.767 real_cost = 207.038 UNI-EID_sfst_AL3-scwrl costs 57.560 real_cost = 6.384 UNI-EID_sfst_AL3 costs 57.638 real_cost = 154.184 UNI-EID_sfst_AL2-scwrl costs 54.100 real_cost = 62.748 UNI-EID_sfst_AL2 costs 54.189 real_cost = 201.336 UNI-EID_sfst_AL1-scwrl costs 58.373 real_cost = -75.389 UNI-EID_sfst_AL1 costs 58.394 real_cost = 82.491 UNI-EID_expm_TS1-scwrl costs 89.792 real_cost = 47.935 UNI-EID_expm_TS1 costs 89.792 real_cost = 40.118 UNI-EID_bnmx_TS5-scwrl costs 55.559 real_cost = 29.362 UNI-EID_bnmx_TS5 costs 55.628 real_cost = 173.155 UNI-EID_bnmx_TS4-scwrl costs 55.624 real_cost = 83.281 UNI-EID_bnmx_TS4 costs 55.708 real_cost = 228.453 UNI-EID_bnmx_TS3-scwrl costs 53.188 real_cost = 17.575 UNI-EID_bnmx_TS3 costs 53.259 real_cost = 165.620 UNI-EID_bnmx_TS2-scwrl costs 53.413 real_cost = 66.622 UNI-EID_bnmx_TS2 costs 53.547 real_cost = 210.712 UNI-EID_bnmx_TS1-scwrl costs 58.373 real_cost = -75.389 UNI-EID_bnmx_TS1 costs 58.394 real_cost = 82.491 SPARKS2_TS5-scwrl costs 43.742 real_cost = 18.569 SPARKS2_TS5 costs 43.742 real_cost = 22.512 SPARKS2_TS4-scwrl costs 68.806 real_cost = 60.375 SPARKS2_TS4 costs 68.806 real_cost = 61.366 SPARKS2_TS3-scwrl costs 60.883 real_cost = 43.961 SPARKS2_TS3 costs 60.883 real_cost = 46.049 SPARKS2_TS2-scwrl costs 44.054 real_cost = -4.845 SPARKS2_TS2 costs 44.054 real_cost = 0.657 SPARKS2_TS1-scwrl costs 55.427 real_cost = -91.821 SPARKS2_TS1 costs 55.427 real_cost = -81.463 SP4_TS5-scwrl costs 63.866 real_cost = 41.345 SP4_TS5 costs 63.866 real_cost = 46.752 SP4_TS4-scwrl costs 43.744 real_cost = 5.708 SP4_TS4 costs 43.744 real_cost = 8.985 SP4_TS3-scwrl costs 49.619 real_cost = -7.069 SP4_TS3 costs 49.619 real_cost = 1.733 SP4_TS2-scwrl costs 48.033 real_cost = -22.109 SP4_TS2 costs 48.033 real_cost = -14.725 SP4_TS1-scwrl costs 58.324 real_cost = -93.344 SP4_TS1 costs 58.324 real_cost = -88.242 SP3_TS5-scwrl costs 62.475 real_cost = 56.099 SP3_TS5 costs 62.475 real_cost = 57.273 SP3_TS4-scwrl costs 43.744 real_cost = 5.708 SP3_TS4 costs 43.744 real_cost = 8.985 SP3_TS3-scwrl costs 49.811 real_cost = -5.442 SP3_TS3 costs 49.811 real_cost = 4.523 SP3_TS2-scwrl costs 45.952 real_cost = -17.766 SP3_TS2 costs 45.952 real_cost = -7.329 SP3_TS1-scwrl costs 56.719 real_cost = -90.101 SP3_TS1 costs 56.719 real_cost = -85.855 SAM_T06_server_TS5-scwrl costs 54.117 real_cost = 75.649 SAM_T06_server_TS5 costs 54.105 real_cost = 48.311 SAM_T06_server_TS4-scwrl costs 61.957 real_cost = 52.022 SAM_T06_server_TS3-scwrl costs 70.486 real_cost = 176.576 SAM_T06_server_TS3 costs 70.642 real_cost = 133.840 SAM_T06_server_TS2-scwrl costs 70.755 real_cost = 185.212 SAM_T06_server_TS2 costs 70.810 real_cost = 136.995 SAM_T06_server_TS1-scwrl costs 73.980 real_cost = -32.456 SAM_T06_server_TS1 costs 73.980 real_cost = -32.769 SAM-T99_AL5-scwrl costs 54.453 real_cost = 53.310 SAM-T99_AL5 costs 54.529 real_cost = 188.287 SAM-T99_AL4-scwrl costs 55.382 real_cost = 43.130 SAM-T99_AL4 costs 55.466 real_cost = 176.642 SAM-T99_AL3-scwrl costs 63.811 real_cost = -40.538 SAM-T99_AL3 costs 63.826 real_cost = 101.455 SAM-T99_AL2-scwrl costs 53.042 real_cost = 43.918 SAM-T99_AL2 costs 53.127 real_cost = 184.471 SAM-T99_AL1-scwrl costs 54.337 real_cost = 48.146 SAM-T99_AL1 costs 54.421 real_cost = 190.031 SAM-T02_AL5-scwrl costs 65.758 real_cost = -2.553 SAM-T02_AL5 costs 65.747 real_cost = 147.882 SAM-T02_AL4-scwrl costs 61.046 real_cost = 112.910 SAM-T02_AL4 costs 61.055 real_cost = 234.874 SAM-T02_AL3-scwrl costs 54.074 real_cost = 59.912 SAM-T02_AL3 costs 54.094 real_cost = 193.111 SAM-T02_AL2-scwrl costs 55.113 real_cost = 43.709 SAM-T02_AL2 costs 55.119 real_cost = 184.124 SAM-T02_AL1-scwrl costs 59.577 real_cost = -54.591 SAM-T02_AL1 costs 59.555 real_cost = 90.201 ROKKY_TS5-scwrl costs 59.928 real_cost = 10.267 ROKKY_TS5 costs 59.928 real_cost = 22.160 ROKKY_TS4-scwrl costs 58.583 real_cost = 57.268 ROKKY_TS4 costs 58.583 real_cost = 58.562 ROKKY_TS3-scwrl costs 57.259 real_cost = 12.574 ROKKY_TS3 costs 57.259 real_cost = 19.825 ROKKY_TS2-scwrl costs 56.288 real_cost = 73.604 ROKKY_TS2 costs 56.288 real_cost = 75.862 ROKKY_TS1-scwrl costs 56.371 real_cost = -86.802 ROKKY_TS1 costs 56.371 real_cost = -77.904 ROBETTA_TS5-scwrl costs 46.475 real_cost = -85.265 ROBETTA_TS5 costs 46.475 real_cost = -80.906 ROBETTA_TS4-scwrl costs 46.422 real_cost = -112.675 ROBETTA_TS4 costs 46.422 real_cost = -110.425 ROBETTA_TS3-scwrl costs 45.481 real_cost = -114.080 ROBETTA_TS3 costs 45.481 real_cost = -113.107 ROBETTA_TS2-scwrl costs 50.045 real_cost = -88.182 ROBETTA_TS2 costs 50.045 real_cost = -87.677 ROBETTA_TS1-scwrl costs 45.402 real_cost = -97.852 ROBETTA_TS1 costs 45.402 real_cost = -97.888 RAPTOR_TS5-scwrl costs 67.370 real_cost = 70.075 RAPTOR_TS5 costs 67.370 real_cost = 69.899 RAPTOR_TS4-scwrl costs 55.776 real_cost = -12.211 RAPTOR_TS4 costs 55.776 real_cost = -9.724 RAPTOR_TS3-scwrl costs 44.025 real_cost = -23.378 RAPTOR_TS3 costs 44.025 real_cost = -11.386 RAPTOR_TS2-scwrl costs 51.687 real_cost = 17.335 RAPTOR_TS2 costs 51.687 real_cost = 26.115 RAPTOR_TS1-scwrl costs 54.962 real_cost = 17.174 RAPTOR_TS1 costs 54.962 real_cost = 18.447 RAPTORESS_TS5-scwrl costs 72.257 real_cost = 66.326 RAPTORESS_TS5 costs 72.257 real_cost = 70.165 RAPTORESS_TS4-scwrl costs 63.378 real_cost = 7.073 RAPTORESS_TS4 costs 63.378 real_cost = 14.712 RAPTORESS_TS3-scwrl costs 53.233 real_cost = 1.515 RAPTORESS_TS3 costs 53.233 real_cost = 11.171 RAPTORESS_TS2-scwrl costs 57.446 real_cost = 26.906 RAPTORESS_TS2 costs 57.446 real_cost = 38.658 RAPTORESS_TS1-scwrl costs 61.813 real_cost = 32.054 RAPTORESS_TS1 costs 61.813 real_cost = 40.339 RAPTOR-ACE_TS5-scwrl costs 56.546 real_cost = 48.690 RAPTOR-ACE_TS5 costs 56.546 real_cost = 52.712 RAPTOR-ACE_TS4-scwrl costs 55.856 real_cost = -89.524 RAPTOR-ACE_TS4 costs 55.856 real_cost = -83.004 RAPTOR-ACE_TS3-scwrl costs 54.379 real_cost = -91.005 RAPTOR-ACE_TS3 costs 54.379 real_cost = -82.094 RAPTOR-ACE_TS2-scwrl costs 55.150 real_cost = -86.219 RAPTOR-ACE_TS2 costs 55.150 real_cost = -78.554 RAPTOR-ACE_TS1-scwrl costs 57.295 real_cost = -89.145 RAPTOR-ACE_TS1 costs 57.295 real_cost = -70.464 Pmodeller6_TS5-scwrl costs 47.879 real_cost = 68.514 Pmodeller6_TS5 costs 47.875 real_cost = 63.384 Pmodeller6_TS4-scwrl costs 47.244 real_cost = -61.166 Pmodeller6_TS4 costs 47.235 real_cost = -67.181 Pmodeller6_TS3-scwrl costs 46.611 real_cost = -100.046 Pmodeller6_TS3 costs 46.605 real_cost = -101.688 Pmodeller6_TS2-scwrl costs 46.475 real_cost = -85.265 Pmodeller6_TS2 costs 46.475 real_cost = -80.906 Pmodeller6_TS1-scwrl costs 46.422 real_cost = -112.675 Pmodeller6_TS1 costs 46.422 real_cost = -110.425 Phyre-2_TS5-scwrl costs 58.583 real_cost = 13.576 Phyre-2_TS5 costs 58.583 real_cost = 15.989 Phyre-2_TS4-scwrl costs 58.640 real_cost = 4.381 Phyre-2_TS4 costs 58.640 real_cost = 3.017 Phyre-2_TS3-scwrl costs 58.734 real_cost = 0.762 Phyre-2_TS3 costs 58.734 real_cost = -2.428 Phyre-2_TS2-scwrl costs 58.496 real_cost = -4.874 Phyre-2_TS2 costs 58.496 real_cost = -3.495 Phyre-2_TS1-scwrl costs 57.212 real_cost = -91.956 Phyre-2_TS1 costs 57.212 real_cost = -91.660 Phyre-1_TS1-scwrl costs 56.042 real_cost = -35.616 Phyre-1_TS1 costs 56.036 real_cost = -47.559 Pcons6_TS5-scwrl costs 51.466 real_cost = -6.189 Pcons6_TS5 costs 51.449 real_cost = -16.622 Pcons6_TS4-scwrl costs 49.911 real_cost = 34.845 Pcons6_TS4 costs 49.906 real_cost = 30.335 Pcons6_TS3-scwrl costs 47.223 real_cost = -74.474 Pcons6_TS3 costs 47.206 real_cost = -85.078 Pcons6_TS2-scwrl costs 45.891 real_cost = -91.936 Pcons6_TS2 costs 45.885 real_cost = -94.614 Pcons6_TS1-scwrl costs 44.989 real_cost = -97.640 Pcons6_TS1 costs 44.984 real_cost = -100.615 PROTINFO_TS5-scwrl costs 58.301 real_cost = -111.409 PROTINFO_TS5 costs 58.301 real_cost = -106.956 PROTINFO_TS4-scwrl costs 58.619 real_cost = 89.028 PROTINFO_TS4 costs 58.619 real_cost = 93.313 PROTINFO_TS3-scwrl costs 62.125 real_cost = 24.723 PROTINFO_TS3 costs 62.125 real_cost = 24.375 PROTINFO_TS2-scwrl costs 53.248 real_cost = -6.678 PROTINFO_TS2 costs 53.248 real_cost = -6.579 PROTINFO_TS1-scwrl costs 62.008 real_cost = -27.197 PROTINFO_TS1 costs 62.008 real_cost = -22.865 PROTINFO-AB_TS5-scwrl costs 58.619 real_cost = 89.028 PROTINFO-AB_TS5 costs 58.619 real_cost = 93.313 PROTINFO-AB_TS4-scwrl costs 62.489 real_cost = -29.017 PROTINFO-AB_TS4 costs 62.489 real_cost = -23.243 PROTINFO-AB_TS3-scwrl costs 63.373 real_cost = -26.992 PROTINFO-AB_TS3 costs 63.373 real_cost = -27.175 PROTINFO-AB_TS2-scwrl costs 62.290 real_cost = -26.856 PROTINFO-AB_TS2 costs 62.290 real_cost = -24.324 PROTINFO-AB_TS1-scwrl costs 62.577 real_cost = -27.729 PROTINFO-AB_TS1 costs 62.577 real_cost = -24.066 NN_PUT_lab_TS1-scwrl costs 55.594 real_cost = -48.910 NN_PUT_lab_TS1 costs 55.572 real_cost = -52.488 MetaTasser_TS5-scwrl costs 57.367 real_cost = 24.641 MetaTasser_TS5 costs 57.367 real_cost = 31.267 MetaTasser_TS4-scwrl costs 75.888 real_cost = 26.525 MetaTasser_TS4 costs 75.888 real_cost = 21.517 MetaTasser_TS3-scwrl costs 54.756 real_cost = -16.885 MetaTasser_TS3 costs 54.756 real_cost = -14.490 MetaTasser_TS2-scwrl costs 59.455 real_cost = -74.624 MetaTasser_TS2 costs 59.455 real_cost = -73.553 MetaTasser_TS1-scwrl costs 61.976 real_cost = -56.563 MetaTasser_TS1 costs 61.976 real_cost = -53.753 Ma-OPUS-server_TS5-scwrl costs 55.156 real_cost = 54.435 Ma-OPUS-server_TS5 costs 55.156 real_cost = 52.501 Ma-OPUS-server_TS4-scwrl costs 55.583 real_cost = 41.600 Ma-OPUS-server_TS4 costs 55.583 real_cost = 44.575 Ma-OPUS-server_TS3-scwrl costs 54.223 real_cost = -21.107 Ma-OPUS-server_TS3 costs 54.223 real_cost = -16.716 Ma-OPUS-server_TS2-scwrl costs 59.420 real_cost = -67.490 Ma-OPUS-server_TS2 costs 59.420 real_cost = -57.657 Ma-OPUS-server_TS1-scwrl costs 56.601 real_cost = -80.063 Ma-OPUS-server_TS1 costs 56.601 real_cost = -72.422 Ma-OPUS-server2_TS5-scwrl costs 52.739 real_cost = -23.879 Ma-OPUS-server2_TS5 costs 52.739 real_cost = -8.806 Ma-OPUS-server2_TS4-scwrl costs 50.748 real_cost = -71.814 Ma-OPUS-server2_TS4 costs 50.748 real_cost = -69.362 Ma-OPUS-server2_TS3-scwrl costs 59.420 real_cost = -67.490 Ma-OPUS-server2_TS3 costs 59.420 real_cost = -57.657 Ma-OPUS-server2_TS2-scwrl costs 52.054 real_cost = -65.174 Ma-OPUS-server2_TS2 costs 52.054 real_cost = -60.684 Ma-OPUS-server2_TS1-scwrl costs 55.907 real_cost = -81.548 Ma-OPUS-server2_TS1 costs 55.907 real_cost = -66.838 MIG_FROST_AL1-scwrl costs 171.356 real_cost = 533.653 MIG_FROST_AL1 costs 171.453 real_cost = 489.074 LOOPP_TS5-scwrl costs 53.974 real_cost = 32.630 LOOPP_TS5 costs 53.979 real_cost = 33.347 LOOPP_TS4-scwrl costs 50.700 real_cost = 35.257 LOOPP_TS4 costs 50.694 real_cost = 46.259 LOOPP_TS3-scwrl costs 60.808 real_cost = 52.876 LOOPP_TS3 costs 60.814 real_cost = 50.098 LOOPP_TS2-scwrl costs 57.080 real_cost = -5.870 LOOPP_TS2 costs 57.076 real_cost = -12.383 LOOPP_TS1-scwrl costs 55.594 real_cost = -48.910 LOOPP_TS1 costs 55.572 real_cost = -52.488 Huber-Torda-Server_TS5-scwrl costs 63.619 real_cost = 27.479 Huber-Torda-Server_TS5 costs 63.619 real_cost = 124.275 Huber-Torda-Server_TS4-scwrl costs 63.082 real_cost = 112.874 Huber-Torda-Server_TS4 costs 62.956 real_cost = 196.223 Huber-Torda-Server_TS3-scwrl costs 65.376 real_cost = 180.339 Huber-Torda-Server_TS3 costs 65.235 real_cost = 249.894 Huber-Torda-Server_TS2-scwrl costs 65.873 real_cost = 152.687 Huber-Torda-Server_TS2 costs 65.815 real_cost = 245.466 Huber-Torda-Server_TS1-scwrl costs 58.751 real_cost = -9.106 Huber-Torda-Server_TS1 costs 58.792 real_cost = 92.390 HHpred3_TS1-scwrl costs 64.182 real_cost = -14.593 HHpred3_TS1 costs 64.182 real_cost = -3.242 HHpred2_TS1-scwrl costs 56.324 real_cost = -33.832 HHpred2_TS1 costs 56.324 real_cost = -24.225 HHpred1_TS1-scwrl costs 56.130 real_cost = -80.054 HHpred1_TS1 costs 56.130 real_cost = -79.029 GeneSilicoMetaServer_TS5-scwrl costs 54.085 real_cost = -75.072 GeneSilicoMetaServer_TS5 costs 54.062 real_cost = -68.629 GeneSilicoMetaServer_TS4-scwrl costs 56.395 real_cost = -79.237 GeneSilicoMetaServer_TS4 costs 56.395 real_cost = -74.115 GeneSilicoMetaServer_TS2-scwrl costs 55.701 real_cost = -90.195 GeneSilicoMetaServer_TS2 costs 55.701 real_cost = -77.669 GeneSilicoMetaServer_TS1-scwrl costs 57.221 real_cost = -75.964 GeneSilicoMetaServer_TS1 costs 57.221 real_cost = -73.762 Frankenstein_TS5-scwrl costs 99.784 real_cost = 248.404 Frankenstein_TS5 costs 99.784 real_cost = 243.621 Frankenstein_TS4-scwrl costs 92.442 real_cost = 252.596 Frankenstein_TS4 costs 92.442 real_cost = 250.793 Frankenstein_TS3-scwrl costs 127.561 real_cost = 300.873 Frankenstein_TS3 costs 127.561 real_cost = 306.118 Frankenstein_TS2-scwrl costs 123.459 real_cost = 321.309 Frankenstein_TS2 costs 123.459 real_cost = 328.475 Frankenstein_TS1-scwrl costs 70.889 real_cost = 132.754 Frankenstein_TS1 costs 70.889 real_cost = 136.103 FUNCTION_TS5-scwrl costs 71.726 real_cost = 0.477 FUNCTION_TS5 costs 71.726 real_cost = 9.637 FUNCTION_TS4-scwrl costs 63.451 real_cost = -47.160 FUNCTION_TS4 costs 63.445 real_cost = -61.142 FUNCTION_TS3-scwrl costs 63.812 real_cost = -30.861 FUNCTION_TS3 costs 63.812 real_cost = -26.397 FUNCTION_TS2-scwrl costs 64.311 real_cost = -47.672 FUNCTION_TS2 costs 64.298 real_cost = -48.476 FUNCTION_TS1-scwrl costs 64.400 real_cost = -28.274 FUNCTION_TS1 costs 64.400 real_cost = -27.174 FUGUE_AL5-scwrl costs 75.384 real_cost = 103.002 FUGUE_AL5 costs 75.378 real_cost = 241.397 FUGUE_AL4-scwrl costs 68.729 real_cost = 146.752 FUGUE_AL4 costs 68.897 real_cost = 276.157 FUGUE_AL3-scwrl costs 49.389 real_cost = 36.580 FUGUE_AL3 costs 49.408 real_cost = 175.456 FUGUE_AL2-scwrl costs 58.905 real_cost = 94.768 FUGUE_AL2 costs 58.901 real_cost = 246.466 FUGUE_AL1-scwrl costs 56.230 real_cost = -72.339 FUGUE_AL1 costs 56.230 real_cost = 86.011 FUGMOD_TS5-scwrl costs 72.415 real_cost = 87.588 FUGMOD_TS5 costs 72.415 real_cost = 89.276 FUGMOD_TS4-scwrl costs 60.378 real_cost = 89.198 FUGMOD_TS4 costs 60.378 real_cost = 88.891 FUGMOD_TS3-scwrl costs 50.578 real_cost = 31.625 FUGMOD_TS3 costs 50.578 real_cost = 41.778 FUGMOD_TS2-scwrl costs 54.589 real_cost = 88.498 FUGMOD_TS2 costs 54.589 real_cost = 92.691 FUGMOD_TS1-scwrl costs 51.671 real_cost = -99.754 FUGMOD_TS1 costs 51.676 real_cost = -96.186 FPSOLVER-SERVER_TS5-scwrl costs 159.545 real_cost = 323.244 FPSOLVER-SERVER_TS5 costs 159.545 real_cost = 328.811 FPSOLVER-SERVER_TS4-scwrl costs 134.677 real_cost = 302.580 FPSOLVER-SERVER_TS4 costs 134.677 real_cost = 307.628 FPSOLVER-SERVER_TS3-scwrl costs 140.137 real_cost = 294.941 FPSOLVER-SERVER_TS3 costs 140.137 real_cost = 300.121 FPSOLVER-SERVER_TS2-scwrl costs 133.544 real_cost = 318.049 FPSOLVER-SERVER_TS2 costs 133.544 real_cost = 322.137 FPSOLVER-SERVER_TS1-scwrl costs 148.053 real_cost = 341.528 FPSOLVER-SERVER_TS1 costs 148.053 real_cost = 342.545 FORTE2_AL5-scwrl costs 66.288 real_cost = 138.281 FORTE2_AL5 costs 66.304 real_cost = 276.504 FORTE2_AL4-scwrl costs 105.945 real_cost = 294.458 FORTE2_AL4 costs 105.945 real_cost = 462.711 FORTE2_AL3-scwrl costs 65.563 real_cost = 74.781 FORTE2_AL3 costs 65.630 real_cost = 221.925 FORTE2_AL2-scwrl costs 64.759 real_cost = 47.622 FORTE2_AL2 costs 64.751 real_cost = 200.516 FORTE2_AL1-scwrl costs 65.721 real_cost = 113.876 FORTE2_AL1 costs 65.748 real_cost = 257.279 FORTE1_AL5-scwrl costs 65.563 real_cost = 74.781 FORTE1_AL5 costs 65.630 real_cost = 221.925 FORTE1_AL4-scwrl costs 105.945 real_cost = 294.458 FORTE1_AL4 costs 105.945 real_cost = 462.711 FORTE1_AL3-scwrl costs 64.678 real_cost = 82.903 FORTE1_AL3 costs 64.671 real_cost = 240.235 FORTE1_AL2-scwrl costs 65.721 real_cost = 113.876 FORTE1_AL2 costs 65.748 real_cost = 257.279 FORTE1_AL1-scwrl costs 62.996 real_cost = 43.183 FORTE1_AL1 costs 62.988 real_cost = 196.185 FOLDpro_TS5-scwrl costs 61.920 real_cost = -10.594 FOLDpro_TS5 costs 61.920 real_cost = -14.305 FOLDpro_TS4-scwrl costs 64.413 real_cost = -13.696 FOLDpro_TS4 costs 64.413 real_cost = -15.171 FOLDpro_TS3-scwrl costs 66.578 real_cost = -22.762 FOLDpro_TS3 costs 66.578 real_cost = -20.732 FOLDpro_TS2-scwrl costs 62.830 real_cost = -45.968 FOLDpro_TS2 costs 62.830 real_cost = -30.786 FOLDpro_TS1-scwrl costs 56.518 real_cost = -59.559 FOLDpro_TS1 costs 56.518 real_cost = -55.440 FAMS_TS5-scwrl costs 50.309 real_cost = 9.191 FAMS_TS5 costs 50.309 real_cost = 12.719 FAMS_TS4-scwrl costs 54.573 real_cost = -4.736 FAMS_TS4 costs 54.573 real_cost = 0.029 FAMS_TS3-scwrl costs 66.091 real_cost = 87.859 FAMS_TS3 costs 66.091 real_cost = 91.184 FAMS_TS2-scwrl costs 56.176 real_cost = -71.322 FAMS_TS2 costs 56.190 real_cost = -67.824 FAMS_TS1-scwrl costs 58.531 real_cost = -77.669 FAMS_TS1 costs 58.531 real_cost = -78.351 FAMSD_TS5-scwrl costs 57.911 real_cost = -1.962 FAMSD_TS5 costs 57.911 real_cost = 6.330 FAMSD_TS4-scwrl costs 62.301 real_cost = -47.061 FAMSD_TS4 costs 62.293 real_cost = -47.199 FAMSD_TS3-scwrl costs 54.992 real_cost = -85.318 FAMSD_TS3 costs 54.997 real_cost = -74.323 FAMSD_TS2-scwrl costs 52.690 real_cost = -75.029 FAMSD_TS2 costs 52.695 real_cost = -77.084 FAMSD_TS1-scwrl costs 54.494 real_cost = -84.554 FAMSD_TS1 costs 54.494 real_cost = -75.353 Distill_TS5-scwrl costs 242.286 real_cost = 430.957 Distill_TS4-scwrl costs 239.758 real_cost = 431.745 Distill_TS3-scwrl costs 238.772 real_cost = 413.671 Distill_TS2-scwrl costs 244.438 real_cost = 416.098 Distill_TS1-scwrl costs 241.572 real_cost = 404.658 CaspIta-FOX_TS5-scwrl costs 51.722 real_cost = 4.652 CaspIta-FOX_TS5 costs 51.722 real_cost = 7.921 CaspIta-FOX_TS4-scwrl costs 66.318 real_cost = 74.144 CaspIta-FOX_TS4 costs 66.318 real_cost = 73.231 CaspIta-FOX_TS3-scwrl costs 59.552 real_cost = 114.176 CaspIta-FOX_TS3 costs 59.552 real_cost = 113.054 CaspIta-FOX_TS2-scwrl costs 60.584 real_cost = 58.149 CaspIta-FOX_TS2 costs 60.584 real_cost = 57.820 CaspIta-FOX_TS1-scwrl costs 56.893 real_cost = -81.425 CaspIta-FOX_TS1 costs 56.902 real_cost = -84.668 CPHmodels_TS1-scwrl costs 64.269 real_cost = 15.567 CPHmodels_TS1 costs 64.260 real_cost = 7.896 CIRCLE_TS5-scwrl costs 66.091 real_cost = 87.859 CIRCLE_TS5 costs 66.091 real_cost = 91.184 CIRCLE_TS4-scwrl costs 56.176 real_cost = -71.322 CIRCLE_TS4 costs 56.190 real_cost = -67.824 CIRCLE_TS3-scwrl costs 50.309 real_cost = 9.191 CIRCLE_TS3 costs 50.309 real_cost = 12.719 CIRCLE_TS2-scwrl costs 51.220 real_cost = 4.053 CIRCLE_TS2 costs 51.220 real_cost = -2.723 CIRCLE_TS1-scwrl costs 54.573 real_cost = -4.736 CIRCLE_TS1 costs 54.573 real_cost = 0.029 Bilab-ENABLE_TS5-scwrl costs 54.117 real_cost = 17.840 Bilab-ENABLE_TS5 costs 54.117 real_cost = 17.840 Bilab-ENABLE_TS4-scwrl costs 49.914 real_cost = 15.542 Bilab-ENABLE_TS4 costs 49.914 real_cost = 15.542 Bilab-ENABLE_TS3-scwrl costs 59.606 real_cost = 38.006 Bilab-ENABLE_TS3 costs 59.606 real_cost = 36.900 Bilab-ENABLE_TS2-scwrl costs 75.075 real_cost = 96.250 Bilab-ENABLE_TS2 costs 75.075 real_cost = 96.273 Bilab-ENABLE_TS1-scwrl costs 54.223 real_cost = -81.267 Bilab-ENABLE_TS1 costs 54.223 real_cost = -81.265 BayesHH_TS1-scwrl costs 49.059 real_cost = -28.876 BayesHH_TS1 costs 49.059 real_cost = -24.613 ABIpro_TS5-scwrl costs 74.713 real_cost = 243.874 ABIpro_TS5 costs 74.713 real_cost = 244.723 ABIpro_TS4-scwrl costs 62.223 real_cost = 213.480 ABIpro_TS4 costs 62.223 real_cost = 213.484 ABIpro_TS3-scwrl costs 69.617 real_cost = 235.187 ABIpro_TS3 costs 69.617 real_cost = 235.187 ABIpro_TS2-scwrl costs 65.134 real_cost = 239.107 ABIpro_TS2 costs 65.134 real_cost = 240.830 ABIpro_TS1-scwrl costs 69.357 real_cost = 205.382 ABIpro_TS1 costs 69.357 real_cost = 206.184 3Dpro_TS5-scwrl costs 60.800 real_cost = -27.277 3Dpro_TS5 costs 60.800 real_cost = -26.563 3Dpro_TS4-scwrl costs 55.867 real_cost = -47.110 3Dpro_TS4 costs 55.867 real_cost = -38.783 3Dpro_TS3-scwrl costs 61.039 real_cost = -31.247 3Dpro_TS3 costs 61.039 real_cost = -25.088 3Dpro_TS2-scwrl costs 56.081 real_cost = -50.436 3Dpro_TS2 costs 56.081 real_cost = -39.032 3Dpro_TS1-scwrl costs 53.172 real_cost = -56.676 3Dpro_TS1 costs 53.172 real_cost = -42.749 3D-JIGSAW_TS5-scwrl costs 65.315 real_cost = 39.151 3D-JIGSAW_TS5 costs 65.316 real_cost = 36.243 3D-JIGSAW_TS4-scwrl costs 66.684 real_cost = 44.890 3D-JIGSAW_TS4 costs 66.685 real_cost = 43.634 3D-JIGSAW_TS3-scwrl costs 60.751 real_cost = 40.995 3D-JIGSAW_TS3 costs 60.752 real_cost = 44.453 3D-JIGSAW_TS2-scwrl costs 65.040 real_cost = 48.416 3D-JIGSAW_TS2 costs 65.041 real_cost = 57.121 3D-JIGSAW_TS1-scwrl costs 59.649 real_cost = -5.869 3D-JIGSAW_TS1 costs 59.641 real_cost = -15.400 3D-JIGSAW_RECOM_TS5-scwrl costs 62.551 real_cost = 43.501 3D-JIGSAW_RECOM_TS5 costs 62.551 real_cost = 38.181 3D-JIGSAW_RECOM_TS4-scwrl costs 64.456 real_cost = 42.298 3D-JIGSAW_RECOM_TS4 costs 64.457 real_cost = 40.218 3D-JIGSAW_RECOM_TS3-scwrl costs 64.933 real_cost = 40.383 3D-JIGSAW_RECOM_TS3 costs 64.955 real_cost = 34.121 3D-JIGSAW_RECOM_TS2-scwrl costs 61.244 real_cost = 14.440 3D-JIGSAW_RECOM_TS2 costs 61.237 real_cost = 6.934 3D-JIGSAW_RECOM_TS1-scwrl costs 60.494 real_cost = 16.213 3D-JIGSAW_RECOM_TS1 costs 60.486 real_cost = 13.224 3D-JIGSAW_POPULUS_TS5-scwrl costs 59.831 real_cost = 65.243 3D-JIGSAW_POPULUS_TS5 costs 59.832 real_cost = 59.830 3D-JIGSAW_POPULUS_TS4-scwrl costs 62.416 real_cost = 25.968 3D-JIGSAW_POPULUS_TS4 costs 62.430 real_cost = 18.089 3D-JIGSAW_POPULUS_TS3-scwrl costs 57.110 real_cost = -16.814 3D-JIGSAW_POPULUS_TS3 costs 57.101 real_cost = -26.953 3D-JIGSAW_POPULUS_TS2-scwrl costs 57.130 real_cost = -11.293 3D-JIGSAW_POPULUS_TS2 costs 57.121 real_cost = -22.154 3D-JIGSAW_POPULUS_TS1-scwrl costs 59.471 real_cost = 11.375 3D-JIGSAW_POPULUS_TS1 costs 59.463 real_cost = 2.206 T0379.try9-opt2.repack-nonPC.pdb.gz costs 58.100 real_cost = 50.490 T0379.try9-opt2.pdb.gz costs 58.100 real_cost = 51.698 T0379.try9-opt2.gromacs0.repack-nonPC.pdb.gz costs 49.369 real_cost = 51.248 T0379.try9-opt2.gromacs0.pdb.gz costs 49.369 real_cost = 55.258 T0379.try9-opt1.pdb.gz costs 58.063 real_cost = 51.625 T0379.try9-opt1-scwrl.pdb.gz costs 58.063 real_cost = 48.354 T0379.try8-opt2.repack-nonPC.pdb.gz costs 56.186 real_cost = 51.640 T0379.try8-opt2.pdb.gz costs 56.186 real_cost = 53.059 T0379.try8-opt2.gromacs0.repack-nonPC.pdb.gz costs 49.658 real_cost = 51.743 T0379.try8-opt2.gromacs0.pdb.gz costs 49.658 real_cost = 56.355 T0379.try8-opt1.pdb.gz costs 58.370 real_cost = 53.398 T0379.try8-opt1-scwrl.pdb.gz costs 58.370 real_cost = 49.037 T0379.try7-opt2.repack-nonPC.pdb.gz costs 58.183 real_cost = 53.758 T0379.try7-opt2.pdb.gz costs 58.183 real_cost = 52.622 T0379.try7-opt2.gromacs0.repack-nonPC.pdb.gz costs 49.527 real_cost = 53.952 T0379.try7-opt2.gromacs0.pdb.gz costs 49.527 real_cost = 54.790 T0379.try7-opt1.pdb.gz costs 58.619 real_cost = 58.420 T0379.try7-opt1-scwrl.pdb.gz costs 58.619 real_cost = 58.941 T0379.try6-opt2.repack-nonPC.pdb.gz costs 70.144 real_cost = 72.436 T0379.try6-opt2.pdb.gz costs 70.144 real_cost = 67.721 T0379.try6-opt2.gromacs0.repack-nonPC.pdb.gz costs 51.147 real_cost = 70.322 T0379.try6-opt2.gromacs0.pdb.gz costs 51.147 real_cost = 69.019 T0379.try6-opt1.pdb.gz costs 64.936 real_cost = 70.059 T0379.try6-opt1-scwrl.pdb.gz costs 64.936 real_cost = 70.263 T0379.try5-opt2.repack-nonPC.pdb.gz costs 61.511 real_cost = 50.367 T0379.try5-opt2.pdb.gz costs 61.511 real_cost = 45.801 T0379.try5-opt2.gromacs0.repack-nonPC.pdb.gz costs 48.982 real_cost = 49.213 T0379.try5-opt2.gromacs0.pdb.gz costs 48.982 real_cost = 45.211 T0379.try5-opt1.pdb.gz costs 57.223 real_cost = 46.006 T0379.try5-opt1-scwrl.pdb.gz costs 57.223 real_cost = 47.030 T0379.try4-opt2.repack-nonPC.pdb.gz costs 68.185 real_cost = 26.705 T0379.try4-opt2.pdb.gz costs 68.185 real_cost = 28.379 T0379.try4-opt2.gromacs0.repack-nonPC.pdb.gz costs 45.703 real_cost = 23.320 T0379.try4-opt2.gromacs0.pdb.gz costs 45.703 real_cost = 26.572 T0379.try4-opt1.pdb.gz costs 62.153 real_cost = 30.972 T0379.try4-opt1-scwrl.pdb.gz costs 62.153 real_cost = 29.996 T0379.try3-opt2.repack-nonPC.pdb.gz costs 65.078 real_cost = -85.973 T0379.try3-opt2.pdb.gz costs 65.078 real_cost = -86.710 T0379.try3-opt2.gromacs0.repack-nonPC.pdb.gz costs 48.610 real_cost = -86.165 T0379.try3-opt2.gromacs0.pdb.gz costs 48.610 real_cost = -86.797 T0379.try3-opt1.pdb.gz costs 60.248 real_cost = -82.916 T0379.try3-opt1-scwrl.pdb.gz costs 60.248 real_cost = -83.675 T0379.try29-opt2.repack-nonPC.pdb.gz costs 73.284 real_cost = 84.524 T0379.try29-opt2.pdb.gz costs 73.284 real_cost = 83.734 T0379.try29-opt2.gromacs0.repack-nonPC.pdb.gz costs 56.354 real_cost = 87.219 T0379.try29-opt2.gromacs0.pdb.gz costs 56.354 real_cost = 86.812 T0379.try29-opt1.pdb.gz costs 63.193 real_cost = 80.278 T0379.try29-opt1-scwrl.pdb.gz costs 63.193 real_cost = 81.270 T0379.try28-opt2.repack-nonPC.pdb.gz costs 59.406 real_cost = -110.166 T0379.try28-opt2.pdb.gz costs 59.406 real_cost = -111.584 T0379.try28-opt2.gromacs0.repack-nonPC.pdb.gz costs 49.031 real_cost = -108.994 T0379.try28-opt2.gromacs0.pdb.gz costs 49.031 real_cost = -110.098 T0379.try28-opt1.pdb.gz costs 59.846 real_cost = -112.004 T0379.try28-opt1-scwrl.pdb.gz costs 59.846 real_cost = -109.740 T0379.try27-opt2.repack-nonPC.pdb.gz costs 61.851 real_cost = -109.896 T0379.try27-opt2.pdb.gz costs 61.851 real_cost = -111.837 T0379.try27-opt2.gromacs0.repack-nonPC.pdb.gz costs 49.153 real_cost = -107.728 T0379.try27-opt2.gromacs0.pdb.gz costs 49.153 real_cost = -110.498 T0379.try27-opt1.pdb.gz costs 60.647 real_cost = -110.262 T0379.try27-opt1-scwrl.pdb.gz costs 60.647 real_cost = -109.703 T0379.try26-opt2.repack-nonPC.pdb.gz costs 60.647 real_cost = -108.750 T0379.try26-opt2.pdb.gz costs 60.647 real_cost = -108.835 T0379.try26-opt2.gromacs0.repack-nonPC.pdb.gz costs 50.163 real_cost = -105.081 T0379.try26-opt2.gromacs0.pdb.gz costs 50.163 real_cost = -109.114 T0379.try26-opt1.pdb.gz costs 60.386 real_cost = -109.426 T0379.try26-opt1-scwrl.pdb.gz costs 60.386 real_cost = -109.366 T0379.try25-opt2.repack-nonPC.pdb.gz costs 53.762 real_cost = -100.906 T0379.try25-opt2.pdb.gz costs 53.762 real_cost = -102.264 T0379.try25-opt2.gromacs0.repack-nonPC.pdb.gz costs 46.355 real_cost = -100.489 T0379.try25-opt2.gromacs0.pdb.gz costs 46.355 real_cost = -98.331 T0379.try25-opt1.pdb.gz costs 53.143 real_cost = -98.095 T0379.try25-opt1-scwrl.pdb.gz costs 53.143 real_cost = -98.641 T0379.try24-opt2.repack-nonPC.pdb.gz costs 59.869 real_cost = -108.305 T0379.try24-opt2.pdb.gz costs 59.869 real_cost = -110.735 T0379.try24-opt2.gromacs0.repack-nonPC.pdb.gz costs 49.790 real_cost = -109.634 T0379.try24-opt2.gromacs0.pdb.gz costs 49.790 real_cost = -109.685 T0379.try24-opt1.pdb.gz costs 59.503 real_cost = -109.403 T0379.try24-opt1-scwrl.pdb.gz costs 59.503 real_cost = -109.738 T0379.try23-opt2.repack-nonPC.pdb.gz costs 53.785 real_cost = -101.329 T0379.try23-opt2.pdb.gz costs 53.785 real_cost = -100.890 T0379.try23-opt2.gromacs0.repack-nonPC.pdb.gz costs 46.613 real_cost = -101.611 T0379.try23-opt2.gromacs0.pdb.gz costs 46.613 real_cost = -100.994 T0379.try23-opt1.pdb.gz costs 53.432 real_cost = -100.417 T0379.try23-opt1-scwrl.pdb.gz costs 53.432 real_cost = -100.427 T0379.try22-opt2.repack-nonPC.pdb.gz costs 53.991 real_cost = -103.331 T0379.try22-opt2.pdb.gz costs 53.991 real_cost = -101.576 T0379.try22-opt2.gromacs0.repack-nonPC.pdb.gz costs 46.639 real_cost = -101.771 T0379.try22-opt2.gromacs0.pdb.gz costs 46.639 real_cost = -101.496 T0379.try22-opt1.pdb.gz costs 54.033 real_cost = -101.834 T0379.try22-opt1-scwrl.pdb.gz costs 54.033 real_cost = -99.189 T0379.try21-opt2.repack-nonPC.pdb.gz costs 60.626 real_cost = -107.357 T0379.try21-opt2.pdb.gz costs 60.626 real_cost = -109.028 T0379.try21-opt2.gromacs0.repack-nonPC.pdb.gz costs 49.859 real_cost = -107.092 T0379.try21-opt2.gromacs0.pdb.gz costs 49.859 real_cost = -108.191 T0379.try21-opt1.pdb.gz costs 60.982 real_cost = -107.870 T0379.try21-opt1-scwrl.pdb.gz costs 60.982 real_cost = -109.891 T0379.try20-opt2.repack-nonPC.pdb.gz costs 61.212 real_cost = -105.669 T0379.try20-opt2.pdb.gz costs 61.212 real_cost = -106.961 T0379.try20-opt2.gromacs0.repack-nonPC.pdb.gz costs 49.403 real_cost = -105.547 T0379.try20-opt2.gromacs0.pdb.gz costs 49.403 real_cost = -104.339 T0379.try20-opt1.pdb.gz costs 61.212 real_cost = -106.983 T0379.try20-opt1-scwrl.pdb.gz costs 61.212 real_cost = -107.169 T0379.try2-opt2.repack-nonPC.pdb.gz costs 59.456 real_cost = -105.160 T0379.try2-opt2.pdb.gz costs 59.456 real_cost = -103.102 T0379.try2-opt2.gromacs0.repack-nonPC.pdb.gz costs 49.235 real_cost = -103.422 T0379.try2-opt2.gromacs0.pdb.gz costs 49.235 real_cost = -102.947 T0379.try2-opt1.pdb.gz costs 57.092 real_cost = -102.569 T0379.try2-opt1-scwrl.pdb.gz costs 57.092 real_cost = -100.316 T0379.try19-opt2.repack-nonPC.pdb.gz costs 55.363 real_cost = -104.039 T0379.try19-opt2.pdb.gz costs 55.363 real_cost = -102.272 T0379.try19-opt2.gromacs0.repack-nonPC.pdb.gz costs 45.876 real_cost = -102.461 T0379.try19-opt2.gromacs0.pdb.gz costs 45.876 real_cost = -100.921 T0379.try19-opt1.pdb.gz costs 53.947 real_cost = -99.810 T0379.try19-opt1-scwrl.pdb.gz costs 53.947 real_cost = -100.243 T0379.try18-opt2.repack-nonPC.pdb.gz costs 58.205 real_cost = 48.445 T0379.try18-opt2.pdb.gz costs 58.205 real_cost = 48.965 T0379.try18-opt2.gromacs0.repack-nonPC.pdb.gz costs 49.168 real_cost = 47.955 T0379.try18-opt2.gromacs0.pdb.gz costs 49.168 real_cost = 53.430 T0379.try18-opt1.pdb.gz costs 57.548 real_cost = 50.272 T0379.try18-opt1-scwrl.pdb.gz costs 57.548 real_cost = 47.497 T0379.try17-opt2.repack-nonPC.pdb.gz costs 60.648 real_cost = -102.320 T0379.try17-opt2.pdb.gz costs 60.648 real_cost = -106.386 T0379.try17-opt2.gromacs0.repack-nonPC.pdb.gz costs 49.426 real_cost = -101.484 T0379.try17-opt2.gromacs0.pdb.gz costs 49.426 real_cost = -105.880 T0379.try17-opt1.pdb.gz costs 59.836 real_cost = -105.553 T0379.try17-opt1-scwrl.pdb.gz costs 59.836 real_cost = -106.436 T0379.try16-opt2.repack-nonPC.pdb.gz costs 59.059 real_cost = -94.313 T0379.try16-opt2.pdb.gz costs 59.059 real_cost = -96.978 T0379.try16-opt2.gromacs0.repack-nonPC.pdb.gz costs 47.272 real_cost = -98.394 T0379.try16-opt2.gromacs0.pdb.gz costs 47.272 real_cost = -94.926 T0379.try16-opt1.pdb.gz costs 57.635 real_cost = -96.051 T0379.try16-opt1-scwrl.pdb.gz costs 57.635 real_cost = -100.472 T0379.try15-opt2.repack-nonPC.pdb.gz costs 56.369 real_cost = 49.650 T0379.try15-opt2.pdb.gz costs 56.369 real_cost = 49.968 T0379.try15-opt2.gromacs0.repack-nonPC.pdb.gz costs 49.779 real_cost = 50.494 T0379.try15-opt2.gromacs0.pdb.gz costs 49.779 real_cost = 53.695 T0379.try15-opt1.pdb.gz costs 56.223 real_cost = 51.041 T0379.try15-opt1-scwrl.pdb.gz costs 56.223 real_cost = 47.552 T0379.try14-opt2.repack-nonPC.pdb.gz costs 57.257 real_cost = -92.903 T0379.try14-opt2.pdb.gz costs 57.257 real_cost = -93.085 T0379.try14-opt2.gromacs0.repack-nonPC.pdb.gz costs 49.430 real_cost = -98.568 T0379.try14-opt2.gromacs0.pdb.gz costs 49.430 real_cost = -93.687 T0379.try14-opt1.pdb.gz costs 56.903 real_cost = -95.219 T0379.try14-opt1-scwrl.pdb.gz costs 56.903 real_cost = -96.165 T0379.try13-opt2.repack-nonPC.pdb.gz costs 56.171 real_cost = -96.697 T0379.try13-opt2.pdb.gz costs 56.171 real_cost = -95.522 T0379.try13-opt2.gromacs0.repack-nonPC.pdb.gz costs 50.043 real_cost = -98.203 T0379.try13-opt2.gromacs0.pdb.gz costs 50.043 real_cost = -96.448 T0379.try13-opt1.pdb.gz costs 56.871 real_cost = -94.591 T0379.try13-opt1-scwrl.pdb.gz costs 56.871 real_cost = -93.891 T0379.try12-opt2.repack-nonPC.pdb.gz costs 61.175 real_cost = -85.100 T0379.try12-opt2.pdb.gz costs 61.175 real_cost = -83.245 T0379.try12-opt2.gromacs0.repack-nonPC.pdb.gz costs 55.319 real_cost = -80.467 T0379.try12-opt2.gromacs0.pdb.gz costs 55.319 real_cost = -80.771 T0379.try12-opt1.pdb.gz costs 63.367 real_cost = -82.293 T0379.try12-opt1-scwrl.pdb.gz costs 63.367 real_cost = -84.568 T0379.try11-opt2.repack-nonPC.pdb.gz costs 57.529 real_cost = -85.303 T0379.try11-opt2.pdb.gz costs 57.529 real_cost = -87.556 T0379.try11-opt2.gromacs0.repack-nonPC.pdb.gz costs 48.995 real_cost = -89.897 T0379.try11-opt2.gromacs0.pdb.gz costs 48.995 real_cost = -91.616 T0379.try11-opt1.pdb.gz costs 53.324 real_cost = -80.342 T0379.try11-opt1-scwrl.pdb.gz costs 53.324 real_cost = -85.181 T0379.try10-opt2.repack-nonPC.pdb.gz costs 67.865 real_cost = -26.242 T0379.try10-opt2.pdb.gz costs 67.865 real_cost = -32.185 T0379.try10-opt2.gromacs0.repack-nonPC.pdb.gz costs 48.682 real_cost = -30.765 T0379.try10-opt2.gromacs0.pdb.gz costs 48.682 real_cost = -33.764 T0379.try10-opt1.pdb.gz costs 60.456 real_cost = -27.596 T0379.try10-opt1-scwrl.pdb.gz costs 60.456 real_cost = -25.546 T0379.try1-opt2.repack-nonPC.pdb.gz costs 59.798 real_cost = -94.583 T0379.try1-opt2.pdb.gz costs 59.798 real_cost = -97.414 T0379.try1-opt2.gromacs0.repack-nonPC.pdb.gz costs 48.250 real_cost = -98.959 T0379.try1-opt2.gromacs0.pdb.gz costs 48.250 real_cost = -96.698 T0379.try1-opt1.pdb.gz costs 54.027 real_cost = -94.569 T0379.try1-opt1-scwrl.pdb.gz costs 54.027 real_cost = -94.976 ../model5.ts-submitted costs 73.284 real_cost = 83.760 ../model4.ts-submitted costs 58.205 real_cost = 48.955 ../model3.ts-submitted costs 57.257 real_cost = -93.082 ../model2.ts-submitted costs 53.785 real_cost = -100.796 ../model1.ts-submitted costs 59.266 real_cost = -111.089 align5 costs 75.373 real_cost = 117.599 align4 costs 50.862 real_cost = 30.490 align3 costs 51.445 real_cost = 55.498 align2 costs 50.576 real_cost = 57.124 align1 costs 67.425 real_cost = 136.196 T0379.try1-opt2.pdb costs 59.798 real_cost = -97.415 model5-scwrl costs 73.284 real_cost = 84.330 model5.ts-submitted costs 73.284 real_cost = 83.760 model4-scwrl costs 58.205 real_cost = 43.798 model4.ts-submitted costs 58.205 real_cost = 48.955 model3-scwrl costs 57.257 real_cost = -94.512 model3.ts-submitted costs 57.257 real_cost = -93.082 model2-scwrl costs 53.785 real_cost = -99.974 model2.ts-submitted costs 53.785 real_cost = -100.796 model1-scwrl costs 59.406 real_cost = -109.873 model1.ts-submitted costs 59.266 real_cost = -111.089 2i6xA costs 39.700 real_cost = -887.400 # command:CPU_time= 2251.722 sec, elapsed time= 3709.480 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/T0379'