make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0297' /projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0297.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/T0297.} ;\ 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/T0297/ -e s/START_COL/1/ \ -e s/COSTFCN/anglevector/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2hsjA/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1182644825 # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/atoms-inputs/ # command:# reading monomeric-50pc.atoms # #computed average backbone with maximum peptide_sq_deviance = 0.002 # computed average trans backbone unit from 8101 examples # computed average cis backbone unit from 20 examples # computed average trans backbone unit before proline from 332 examples # trans (non-proline) backbone unit: # CA= -2.2101 1.0129 -0.0033 # O= -0.1508 2.2440 0.0016 # C= -0.6897 1.1364 -0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4583 -0.0000 -0.0000 # cis backbone unit: # CA= -0.1438 2.4522 0.0007 # O= -2.0283 0.9702 0.0005 # C= -0.8017 1.0759 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4664 -0.0000 0.0000 # trans backbone unit before proline: # CA= -2.2110 1.0636 -0.0014 # O= -0.1234 2.2469 0.0075 # C= -0.6877 1.1518 0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4665 0.0000 0.0000 # After reading monomeric-50pc.atoms have 448 chains in training database # Count of chains,residues,atoms: 448,112605,876684 # 111048 residues have no bad marker # 665 residues lack atoms needed to compute omega # 322 residues have cis peptide # number of each bad type: # NON_STANDARD_RESIDUE 6 # HAS_OXT 325 # TOO_MANY_ATOMS 1 # TOO_FEW_ATOMS 523 # HAS_UNKNOWN_ATOMS 2 # HAS_DUPLICATE_ATOMS 0 # CHAIN_BREAK_BEFORE 208 # NON_PLANAR_PEPTIDE 143 # BAD_PEPTIDE 685 # Note: may sum to more than number of residues, # because one residue may have multiple problems # command:# Reading rotamer library from dunbrack-1332.rot # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # command:# ReadAtomType exp-pdb.types Read AtomType exp-pdb with 49 types. # command:# ReadClashTable exp-pdb-2191-2symm.clash # Read ClashTable exp-pdb-2191-2symm checking bonds symmetric at MaxSep 2 # command:# command:CPU_time= 7.001 sec, elapsed time= 7.041 sec. # command:# Reading spots from monomeric-50pc-dry-5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-5.hist # created burial cost function dry5 with radius 5.000 with spots at monomeric-50pc-dry-5.spot # command:# Reading spots from monomeric-50pc-wet-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-wet-6.5.hist # created burial cost function wet6.5 with radius 6.500 with spots at monomeric-50pc-wet-6.5.spot # command:# Reading spots from monomeric-50pc-dry-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-6.5.hist # created burial cost function dry6.5 with radius 6.500 with spots at monomeric-50pc-dry-6.5.spot # command:# Reading spots from monomeric-50pc-generic-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-generic-6.5.hist # created burial cost function gen6.5 with radius 6.500 with spots at monomeric-50pc-generic-6.5.spot # command:# Reading spots from near-backbone-center.spot # reading histogram from smoothed-near-backbone-2spot.hist # Reading spots from near-backbone-count.spot # created burial cost function near_backbone with radius 9.650 with spots at near-backbone-center.spot counting only near-backbone-count.spot # command:# Reading spots from way-back-center.spot # reading histogram from smoothed-way-back-2spot.hist # Reading spots from way-back-count.spot # created burial cost function way_back with radius 8.900 with spots at way-back-center.spot counting only way-back-count.spot # command:# Reading spots from monomeric-50pc-dry-8.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-8.hist # created burial cost function dry8 with radius 8.000 with spots at monomeric-50pc-dry-8.spot # command:# Reading spots from monomeric-50pc-dry-10.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-10.hist # created burial cost function dry10 with radius 10.000 with spots at monomeric-50pc-dry-10.spot # command:# Reading spots from monomeric-50pc-dry-12.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-12.hist # created burial cost function dry12 with radius 12.000 with spots at monomeric-50pc-dry-12.spot # command:# reading histogram from dunbrack-2191-alpha.hist # created alpha cost function alpha with offset 0 and 360 bins # command:# reading histogram from dunbrack-2191-alpha-1.hist # created alpha cost function alpha_prev with offset -1 and 360 bins # command:# Prefix for input files set to /projects/compbio/lib/alphabet/ # command:# Read 3 alphabets from alpha.alphabet # command:CPU_time= 7.083 sec, elapsed time= 7.143 sec. # command:# Prefix for input files set to # command:# Making conformation for sequence T0297 numbered 1 through 211 Created new target T0297 from T0297.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2hsjA expands to /projects/compbio/data/pdb/2hsj.pdb.gz 2hsjA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2, because occupancy 0.5 <= existing 0.500 in 2hsjA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 4, because occupancy 0.500 <= existing 0.500 in 2hsjA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 6, because occupancy 0.500 <= existing 0.500 in 2hsjA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 8, because occupancy 0.500 <= existing 0.500 in 2hsjA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 10, because occupancy 0.500 <= existing 0.500 in 2hsjA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 12, because occupancy 0.500 <= existing 0.500 in 2hsjA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 14, because occupancy 0.500 <= existing 0.500 in 2hsjA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 16, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 72, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 74, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 76, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 78, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 80, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 82, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 84, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 86, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 88, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 90, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 92, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 94, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 96, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 98, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 305, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 307, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 309, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 311, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 313, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 315, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 317, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 319, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 360, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 362, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 364, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 366, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 368, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 370, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1156, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1158, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1160, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1162, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1164, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1166, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1168, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1170, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1172, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1240, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1242, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1244, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1246, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1248, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1250, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1252, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1254, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1256, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1362, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1364, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1366, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1368, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1370, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1372, because occupancy 0.500 <= existing 0.500 in 2hsjA 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 1557, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1559, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1561, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1563, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1565, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1567, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1569, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1571, because occupancy 0.500 <= existing 0.500 in 2hsjA Skipped atom 1573, because occupancy 0.500 <= existing 0.500 in 2hsjA Read 211 residues and 1703 atoms. # command:# Saving current conformation as real # command:# Prefix for output files set to decoys/ # command:# SetRealCost created real_cost = # ( 50.000 * real_hbond + 50.000 * real_hbond_u + 50.000 * decoy_hbond + 50.000 * decoy_hbond_u + 10.000 * real_NO_hbond + 10.000 * real_NO_hbond_u + 10.000 * decoy_NO_hbond + 10.000 * decoy_NO_hbond_u + 10.000 * knot + 200.000 * clens + 0.000 * rmsd + 35.000 * log_rmsd + 0.000 * rmsd_ca + 30.000 * log_rmsd_ca + 1.000 * GDT + 1.000 * smooth_GDT + 0.200 * missing_atoms ) # command:# SetCost created cost = # ) # command:# reading script from file anglevector.costfcn # Prefix for input files set to /projects/compbio/lib/alphabet/ # Read 2 alphabets from anglevector.alphabet # Prefix for input files set to # CreateCombinedNNet created CombinedNNet bys_t2k # CreateCombinedNNet created CombinedNNet bys_t04 # CreateCombinedNNet created CombinedNNet bys_t06 # CreateCombinedNNet created CombinedNNet bys_mean # created predicted AngleVectorPredCostFcn pred_bys_t2k # created predicted AngleVectorPredCostFcn pred_bys_t04 # created predicted AngleVectorPredCostFcn pred_bys_t06 # created predicted AngleVectorPredCostFcn pred_bys_mean # CreateCombinedNNet created CombinedNNet pb_t2k # CreateCombinedNNet created CombinedNNet pb_t04 # CreateCombinedNNet created CombinedNNet pb_t06 # CreateCombinedNNet created CombinedNNet pb_mean # created predicted AngleVectorPredCostFcn pred_pb_t2k # created predicted AngleVectorPredCostFcn pred_pb_t04 # created predicted AngleVectorPredCostFcn pred_pb_t06 # created predicted AngleVectorPredCostFcn pred_pb_mean # SetCost created cost = # ( 5.000 * bystroff + 5.000 * pred_bys_t2k + 5.000 * pred_bys_t04 + 5.000 * pred_bys_t06 + 5.000 * pred_bys_mean + 5.000 * pred_pb_t2k + 5.000 * pred_pb_t04 + 5.000 * pred_pb_t06 + 5.000 * pred_pb_mean ) # command:CPU_time= 10.203 sec, elapsed time= 10.353 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 193 # 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 = -68.128 # GDT_score(maxd=8.000,maxw=2.900)= -70.356 # GDT_score(maxd=8.000,maxw=3.200)= -66.903 # GDT_score(maxd=8.000,maxw=3.500)= -63.351 # GDT_score(maxd=10.000,maxw=3.800)= -66.453 # GDT_score(maxd=10.000,maxw=4.000)= -64.192 # GDT_score(maxd=10.000,maxw=4.200)= -61.991 # GDT_score(maxd=12.000,maxw=4.300)= -65.885 # GDT_score(maxd=12.000,maxw=4.500)= -63.730 # GDT_score(maxd=12.000,maxw=4.700)= -61.635 # GDT_score(maxd=14.000,maxw=5.200)= -60.538 # GDT_score(maxd=14.000,maxw=5.500)= -57.708 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0297.model1-real.pdb for output Error: Couldn't open file T0297.model1-real.pdb for output superimposing iter= 0 total_weight= 2547.000 rmsd (weighted)= 4.817 (unweighted)= 5.159 superimposing iter= 1 total_weight= 8116.694 rmsd (weighted)= 1.930 (unweighted)= 5.222 superimposing iter= 2 total_weight= 3665.266 rmsd (weighted)= 1.281 (unweighted)= 5.259 superimposing iter= 3 total_weight= 2220.902 rmsd (weighted)= 1.114 (unweighted)= 5.279 superimposing iter= 4 total_weight= 1847.418 rmsd (weighted)= 1.065 (unweighted)= 5.290 superimposing iter= 5 total_weight= 1761.648 rmsd (weighted)= 1.045 (unweighted)= 5.296 EXPDTA model1.ts-submitted MODEL 1 REMARK 44 REMARK 44 model 1 is called model1.ts-submitted ATOM 1 N MET A 1 29.318 73.465 -2.439 1.00 0.00 ATOM 2 CA MET A 1 28.572 72.636 -1.440 1.00 0.00 ATOM 3 CB MET A 1 28.990 73.008 -0.016 1.00 0.00 ATOM 4 CG MET A 1 30.423 72.638 0.326 1.00 0.00 ATOM 5 SD MET A 1 30.896 73.148 1.991 1.00 0.00 ATOM 6 CE MET A 1 29.926 72.012 2.980 1.00 0.00 ATOM 7 O MET A 1 26.707 74.042 -1.900 1.00 0.00 ATOM 8 C MET A 1 27.072 72.946 -1.469 1.00 0.00 ATOM 9 N ALA A 2 26.183 72.031 -1.070 1.00 0.00 ATOM 10 CA ALA A 2 24.744 72.356 -1.082 1.00 0.00 ATOM 11 CB ALA A 2 23.955 71.142 -0.658 1.00 0.00 ATOM 12 O ALA A 2 23.643 74.413 -0.468 1.00 0.00 ATOM 13 C ALA A 2 24.450 73.533 -0.156 1.00 0.00 ATOM 14 N VAL A 3 25.126 73.561 1.000 1.00 0.00 ATOM 15 CA VAL A 3 24.925 74.647 1.950 1.00 0.00 ATOM 16 CB VAL A 3 25.667 74.319 3.276 1.00 0.00 ATOM 17 CG1 VAL A 3 25.549 75.491 4.233 1.00 0.00 ATOM 18 CG2 VAL A 3 25.081 73.048 3.910 1.00 0.00 ATOM 19 O VAL A 3 24.793 77.010 1.405 1.00 0.00 ATOM 20 C VAL A 3 25.452 75.966 1.368 1.00 0.00 ATOM 21 N GLN A 4 26.648 75.898 0.799 1.00 0.00 ATOM 22 CA GLN A 4 27.269 77.086 0.227 1.00 0.00 ATOM 23 CB GLN A 4 28.657 76.759 -0.331 1.00 0.00 ATOM 24 CG GLN A 4 29.267 77.928 -1.101 1.00 0.00 ATOM 25 CD GLN A 4 30.559 77.569 -1.798 1.00 0.00 ATOM 26 OE1 GLN A 4 30.676 76.498 -2.394 1.00 0.00 ATOM 27 NE2 GLN A 4 31.534 78.474 -1.744 1.00 0.00 ATOM 28 O GLN A 4 26.139 78.880 -0.894 1.00 0.00 ATOM 29 C GLN A 4 26.400 77.676 -0.881 1.00 0.00 ATOM 30 N LEU A 5 25.951 76.830 -1.807 1.00 0.00 ATOM 31 CA LEU A 5 25.116 77.296 -2.906 1.00 0.00 ATOM 32 CB LEU A 5 24.879 76.159 -3.907 1.00 0.00 ATOM 33 CG LEU A 5 26.079 75.660 -4.706 1.00 0.00 ATOM 34 CD1 LEU A 5 25.658 74.478 -5.566 1.00 0.00 ATOM 35 CD2 LEU A 5 26.628 76.787 -5.565 1.00 0.00 ATOM 36 O LEU A 5 23.295 78.853 -2.926 1.00 0.00 ATOM 37 C LEU A 5 23.780 77.845 -2.415 1.00 0.00 ATOM 38 N LEU A 6 23.181 77.182 -1.430 1.00 0.00 ATOM 39 CA LEU A 6 21.905 77.646 -0.895 1.00 0.00 ATOM 40 CB LEU A 6 21.364 76.658 0.148 1.00 0.00 ATOM 41 CG LEU A 6 20.796 75.350 -0.421 1.00 0.00 ATOM 42 CD1 LEU A 6 20.447 74.393 0.705 1.00 0.00 ATOM 43 CD2 LEU A 6 19.561 75.654 -1.269 1.00 0.00 ATOM 44 O LEU A 6 21.140 79.884 -0.497 1.00 0.00 ATOM 45 C LEU A 6 22.006 79.020 -0.291 1.00 0.00 ATOM 46 N GLU A 7 23.087 79.247 0.472 1.00 0.00 ATOM 47 CA GLU A 7 23.347 80.533 1.102 1.00 0.00 ATOM 48 CB GLU A 7 24.566 80.494 2.026 1.00 0.00 ATOM 49 CG GLU A 7 24.827 81.790 2.778 1.00 0.00 ATOM 50 CD GLU A 7 25.953 81.636 3.762 1.00 0.00 ATOM 51 OE1 GLU A 7 27.015 81.228 3.360 1.00 0.00 ATOM 52 OE2 GLU A 7 25.786 82.030 4.893 1.00 0.00 ATOM 53 O GLU A 7 23.415 82.812 0.366 1.00 0.00 ATOM 54 C GLU A 7 23.530 81.628 0.053 1.00 0.00 ATOM 55 N ASN A 8 23.887 81.249 -1.160 1.00 0.00 ATOM 56 CA ASN A 8 24.118 82.209 -2.226 1.00 0.00 ATOM 57 CB ASN A 8 24.630 81.530 -3.484 1.00 0.00 ATOM 58 CG ASN A 8 26.032 81.006 -3.360 1.00 0.00 ATOM 59 ND2 ASN A 8 26.381 80.109 -4.248 1.00 0.00 ATOM 60 OD1 ASN A 8 26.814 81.459 -2.516 1.00 0.00 ATOM 61 O ASN A 8 21.796 82.523 -2.794 1.00 0.00 ATOM 62 C ASN A 8 22.902 83.038 -2.636 1.00 0.00 ATOM 63 N TRP A 9 23.112 84.339 -2.767 1.00 0.00 ATOM 64 CA TRP A 9 22.043 85.237 -3.157 1.00 0.00 ATOM 65 CB TRP A 9 22.054 86.487 -2.705 1.00 0.00 ATOM 66 CG TRP A 9 21.219 86.343 -1.470 1.00 0.00 ATOM 67 CD1 TRP A 9 21.629 86.293 -0.176 1.00 0.00 ATOM 68 CD2 TRP A 9 19.789 86.185 -1.445 1.00 0.00 ATOM 69 CE2 TRP A 9 19.411 86.074 -0.099 1.00 0.00 ATOM 70 CE3 TRP A 9 18.812 86.149 -2.445 1.00 0.00 ATOM 71 NE1 TRP A 9 20.547 86.137 0.654 1.00 0.00 ATOM 72 CZ2 TRP A 9 18.076 85.917 0.287 1.00 0.00 ATOM 73 CZ3 TRP A 9 17.483 86.010 -2.059 1.00 0.00 ATOM 74 CH2 TRP A 9 17.148 85.892 -0.709 1.00 0.00 ATOM 75 O TRP A 9 22.451 85.636 -5.480 1.00 0.00 ATOM 76 C TRP A 9 21.663 85.229 -4.623 1.00 0.00 ATOM 77 N LEU A 10 20.518 84.539 -4.941 1.00 0.00 ATOM 78 CA LEU A 10 20.033 84.434 -6.295 1.00 0.00 ATOM 79 CB LEU A 10 19.422 83.048 -6.542 1.00 0.00 ATOM 80 CG LEU A 10 20.398 81.872 -6.417 1.00 0.00 ATOM 81 CD1 LEU A 10 19.652 80.555 -6.583 1.00 0.00 ATOM 82 CD2 LEU A 10 21.495 82.006 -7.462 1.00 0.00 ATOM 83 O LEU A 10 18.446 85.441 -7.787 1.00 0.00 ATOM 84 C LEU A 10 18.988 85.475 -6.676 1.00 0.00 ATOM 85 N LEU A 11 18.641 86.296 -5.712 1.00 0.00 ATOM 86 CA LEU A 11 17.640 87.337 -5.940 1.00 0.00 ATOM 87 CB LEU A 11 16.763 87.591 -4.779 1.00 0.00 ATOM 88 CG LEU A 11 15.728 88.712 -4.939 1.00 0.00 ATOM 89 CD1 LEU A 11 14.829 88.422 -6.131 1.00 0.00 ATOM 90 CD2 LEU A 11 14.897 88.829 -3.662 1.00 0.00 ATOM 91 O LEU A 11 18.234 89.288 -7.212 1.00 0.00 ATOM 92 C LEU A 11 18.371 88.664 -6.160 1.00 0.00 ATOM 93 N LYS A 12 19.221 89.050 -5.101 1.00 0.00 ATOM 94 CA LYS A 12 20.041 90.244 -5.181 1.00 0.00 ATOM 95 CB LYS A 12 19.662 91.075 -6.407 1.00 0.00 ATOM 96 CG LYS A 12 20.517 92.316 -6.615 1.00 0.00 ATOM 97 CD LYS A 12 20.135 93.043 -7.895 1.00 0.00 ATOM 98 CE LYS A 12 20.983 94.292 -8.100 1.00 0.00 ATOM 99 NZ LYS A 12 20.627 95.009 -9.354 1.00 0.00 ATOM 100 O LYS A 12 20.833 92.022 -3.821 1.00 0.00 ATOM 101 C LYS A 12 19.981 91.145 -3.968 1.00 0.00 ATOM 102 N GLU A 13 18.987 90.947 -3.103 1.00 0.00 ATOM 103 CA GLU A 13 18.865 91.782 -1.904 1.00 0.00 ATOM 104 CB GLU A 13 17.405 91.868 -1.455 1.00 0.00 ATOM 105 CG GLU A 13 16.480 92.547 -2.453 1.00 0.00 ATOM 106 CD GLU A 13 16.893 93.970 -2.703 1.00 0.00 ATOM 107 OE1 GLU A 13 17.034 94.703 -1.755 1.00 0.00 ATOM 108 OE2 GLU A 13 17.179 94.296 -3.832 1.00 0.00 ATOM 109 O GLU A 13 19.800 91.911 0.300 1.00 0.00 ATOM 110 C GLU A 13 19.687 91.301 -0.730 1.00 0.00 ATOM 111 N GLN A 14 20.309 90.143 -0.845 1.00 0.00 ATOM 112 CA GLN A 14 21.165 89.549 0.174 1.00 0.00 ATOM 113 CB GLN A 14 22.609 89.333 -0.331 1.00 0.00 ATOM 114 CG GLN A 14 23.486 90.597 -0.352 1.00 0.00 ATOM 115 CD GLN A 14 24.861 90.294 -0.960 1.00 0.00 ATOM 116 OE1 GLN A 14 25.006 90.081 -2.170 1.00 0.00 ATOM 117 NE2 GLN A 14 25.849 90.229 -0.108 1.00 0.00 ATOM 118 O GLN A 14 21.103 89.602 2.583 1.00 0.00 ATOM 119 C GLN A 14 20.465 89.434 1.541 1.00 0.00 ATOM 120 N GLU A 15 19.163 89.165 1.532 1.00 0.00 ATOM 121 CA GLU A 15 18.396 89.066 2.772 1.00 0.00 ATOM 122 CB GLU A 15 16.907 88.905 2.470 1.00 0.00 ATOM 123 CG GLU A 15 16.252 90.151 1.894 1.00 0.00 ATOM 124 CD GLU A 15 14.799 89.928 1.523 1.00 0.00 ATOM 125 OE1 GLU A 15 14.322 88.781 1.655 1.00 0.00 ATOM 126 OE2 GLU A 15 14.137 90.899 1.100 1.00 0.00 ATOM 127 O GLU A 15 18.670 88.038 4.920 1.00 0.00 ATOM 128 C GLU A 15 18.773 87.915 3.698 1.00 0.00 ATOM 129 N LYS A 16 19.167 86.814 3.133 1.00 0.00 ATOM 130 CA LYS A 16 19.556 85.663 3.931 1.00 0.00 ATOM 131 CB LYS A 16 19.936 84.489 3.029 1.00 0.00 ATOM 132 CG LYS A 16 20.008 83.144 3.741 1.00 0.00 ATOM 133 CD LYS A 16 20.191 82.003 2.751 1.00 0.00 ATOM 134 CE LYS A 16 18.934 81.774 1.928 1.00 0.00 ATOM 135 NZ LYS A 16 19.086 80.632 0.986 1.00 0.00 ATOM 136 O LYS A 16 20.777 85.613 6.031 1.00 0.00 ATOM 137 C LYS A 16 20.763 85.927 4.835 1.00 0.00 ATOM 138 N ILE A 17 21.780 86.527 4.293 1.00 0.00 ATOM 139 CA ILE A 17 22.945 86.825 5.126 1.00 0.00 ATOM 140 CB ILE A 17 24.107 87.401 4.297 1.00 0.00 ATOM 141 CG1 ILE A 17 24.679 86.331 3.364 1.00 0.00 ATOM 142 CG2 ILE A 17 25.222 87.890 5.209 1.00 0.00 ATOM 143 CD1 ILE A 17 25.647 86.874 2.333 1.00 0.00 ATOM 144 O ILE A 17 23.193 87.808 7.296 1.00 0.00 ATOM 145 C ILE A 17 22.621 87.848 6.210 1.00 0.00 ATOM 146 N GLN A 18 21.746 88.798 5.892 1.00 0.00 ATOM 147 CA GLN A 18 21.378 89.811 6.865 1.00 0.00 ATOM 148 CB GLN A 18 20.459 90.856 6.229 1.00 0.00 ATOM 149 CG GLN A 18 21.146 91.760 5.222 1.00 0.00 ATOM 150 CD GLN A 18 20.177 92.702 4.532 1.00 0.00 ATOM 151 OE1 GLN A 18 18.962 92.624 4.738 1.00 0.00 ATOM 152 NE2 GLN A 18 20.707 93.596 3.709 1.00 0.00 ATOM 153 O GLN A 18 21.002 89.478 9.214 1.00 0.00 ATOM 154 C GLN A 18 20.715 89.139 8.063 1.00 0.00 ATOM 155 N THR A 19 19.833 88.193 7.787 1.00 0.00 ATOM 156 CA THR A 19 19.136 87.475 8.842 1.00 0.00 ATOM 157 CB THR A 19 18.032 86.559 8.281 1.00 0.00 ATOM 158 CG2 THR A 19 16.997 87.375 7.521 1.00 0.00 ATOM 159 OG1 THR A 19 18.613 85.591 7.399 1.00 0.00 ATOM 160 O THR A 19 20.147 86.670 10.867 1.00 0.00 ATOM 161 C THR A 19 20.151 86.660 9.636 1.00 0.00 ATOM 162 N LYS A 20 21.031 85.973 8.923 1.00 0.00 ATOM 163 CA LYS A 20 22.047 85.165 9.584 1.00 0.00 ATOM 164 CB LYS A 20 22.919 84.448 8.553 1.00 0.00 ATOM 165 CG LYS A 20 23.984 83.539 9.151 1.00 0.00 ATOM 166 CD LYS A 20 24.946 83.036 8.084 1.00 0.00 ATOM 167 CE LYS A 20 26.035 82.163 8.689 1.00 0.00 ATOM 168 NZ LYS A 20 26.993 81.678 7.659 1.00 0.00 ATOM 169 O LYS A 20 23.292 85.600 11.614 1.00 0.00 ATOM 170 C LYS A 20 22.988 85.985 10.475 1.00 0.00 ATOM 171 N TYR A 21 23.419 87.152 9.976 1.00 0.00 ATOM 172 CA TYR A 21 24.249 88.053 10.767 1.00 0.00 ATOM 173 CB TYR A 21 24.645 89.286 9.952 1.00 0.00 ATOM 174 CG TYR A 21 25.480 90.284 10.722 1.00 0.00 ATOM 175 CD1 TYR A 21 26.836 90.067 10.929 1.00 0.00 ATOM 176 CD2 TYR A 21 24.909 91.442 11.237 1.00 0.00 ATOM 177 CE1 TYR A 21 27.606 90.975 11.630 1.00 0.00 ATOM 178 CE2 TYR A 21 25.666 92.360 11.941 1.00 0.00 ATOM 179 CZ TYR A 21 27.025 92.117 12.134 1.00 0.00 ATOM 180 OH TYR A 21 27.790 93.022 12.833 1.00 0.00 ATOM 181 O TYR A 21 24.110 88.618 13.092 1.00 0.00 ATOM 182 C TYR A 21 23.525 88.554 12.013 1.00 0.00 ATOM 183 N ARG A 22 22.239 88.896 11.867 1.00 0.00 ATOM 184 CA ARG A 22 21.469 89.373 13.009 1.00 0.00 ATOM 185 CB ARG A 22 20.122 89.940 12.587 1.00 0.00 ATOM 186 CG ARG A 22 20.186 91.278 11.868 1.00 0.00 ATOM 187 CD ARG A 22 18.873 91.783 11.394 1.00 0.00 ATOM 188 NE ARG A 22 18.935 93.056 10.693 1.00 0.00 ATOM 189 CZ ARG A 22 17.886 93.651 10.093 1.00 0.00 ATOM 190 NH1 ARG A 22 16.702 93.077 10.071 1.00 0.00 ATOM 191 NH2 ARG A 22 18.081 94.817 9.504 1.00 0.00 ATOM 192 O ARG A 22 21.285 88.533 15.234 1.00 0.00 ATOM 193 C ARG A 22 21.307 88.276 14.046 1.00 0.00 ATOM 194 N HIS A 23 21.198 87.054 13.589 1.00 0.00 ATOM 195 CA HIS A 23 21.144 85.965 14.537 1.00 0.00 ATOM 196 CB HIS A 23 20.856 84.654 13.802 1.00 0.00 ATOM 197 CG HIS A 23 19.485 84.586 13.201 1.00 0.00 ATOM 198 CD2 HIS A 23 18.821 83.732 12.229 1.00 0.00 ATOM 199 ND1 HIS A 23 18.484 85.470 13.535 1.00 0.00 ATOM 200 CE1 HIS A 23 17.376 85.159 12.837 1.00 0.00 ATOM 201 NE2 HIS A 23 17.571 84.116 12.051 1.00 0.00 ATOM 202 O HIS A 23 22.425 85.694 16.554 1.00 0.00 ATOM 203 C HIS A 23 22.444 85.876 15.333 1.00 0.00 ATOM 204 N LEU A 24 23.562 86.003 14.648 1.00 0.00 ATOM 205 CA LEU A 24 24.858 85.969 15.318 1.00 0.00 ATOM 206 CB LEU A 24 25.991 86.067 14.287 1.00 0.00 ATOM 207 CG LEU A 24 27.409 86.008 14.867 1.00 0.00 ATOM 208 CD1 LEU A 24 27.627 84.682 15.580 1.00 0.00 ATOM 209 CD2 LEU A 24 28.424 86.194 13.749 1.00 0.00 ATOM 210 O LEU A 24 25.401 86.934 17.483 1.00 0.00 ATOM 211 C LEU A 24 24.884 87.103 16.351 1.00 0.00 ATOM 212 N ASN A 25 24.325 88.255 15.948 1.00 0.00 ATOM 213 CA ASN A 25 24.276 89.415 16.828 1.00 0.00 ATOM 214 CB ASN A 25 23.741 90.618 16.074 1.00 0.00 ATOM 215 CG ASN A 25 23.797 91.901 16.863 1.00 0.00 ATOM 216 ND2 ASN A 25 22.638 92.408 17.196 1.00 0.00 ATOM 217 OD1 ASN A 25 24.875 92.381 17.227 1.00 0.00 ATOM 218 O ASN A 25 23.811 89.503 19.177 1.00 0.00 ATOM 219 C ASN A 25 23.439 89.131 18.069 1.00 0.00 ATOM 220 N HIS A 26 22.299 88.468 17.873 1.00 0.00 ATOM 221 CA HIS A 26 21.416 88.139 18.981 1.00 0.00 ATOM 222 CB HIS A 26 20.150 87.447 18.469 1.00 0.00 ATOM 223 CG HIS A 26 19.244 88.343 17.683 1.00 0.00 ATOM 224 CD2 HIS A 26 19.121 89.782 17.488 1.00 0.00 ATOM 225 ND1 HIS A 26 18.224 87.862 16.894 1.00 0.00 ATOM 226 CE1 HIS A 26 17.591 88.899 16.317 1.00 0.00 ATOM 227 NE2 HIS A 26 18.124 90.053 16.670 1.00 0.00 ATOM 228 O HIS A 26 21.979 87.323 21.168 1.00 0.00 ATOM 229 C HIS A 26 22.111 87.189 19.954 1.00 0.00 ATOM 230 N ILE A 27 22.863 86.230 19.402 1.00 0.00 ATOM 231 CA ILE A 27 23.568 85.273 20.244 1.00 0.00 ATOM 232 CB ILE A 27 24.292 84.230 19.373 1.00 0.00 ATOM 233 CG1 ILE A 27 23.282 83.267 18.743 1.00 0.00 ATOM 234 CG2 ILE A 27 25.318 83.467 20.195 1.00 0.00 ATOM 235 CD1 ILE A 27 23.876 82.367 17.684 1.00 0.00 ATOM 236 O ILE A 27 25.004 85.416 22.153 1.00 0.00 ATOM 237 C ILE A 27 24.574 85.970 21.143 1.00 0.00 ATOM 238 N SER A 28 24.959 87.183 20.769 1.00 0.00 ATOM 239 CA SER A 28 25.943 87.907 21.550 1.00 0.00 ATOM 240 CB SER A 28 26.675 88.903 20.671 1.00 0.00 ATOM 241 OG SER A 28 27.417 88.270 19.665 1.00 0.00 ATOM 242 O SER A 28 25.990 88.611 23.839 1.00 0.00 ATOM 243 C SER A 28 25.409 88.681 22.755 1.00 0.00 ATOM 244 N VAL A 29 24.306 89.403 22.591 1.00 0.00 ATOM 245 CA VAL A 29 23.774 90.179 23.710 1.00 0.00 ATOM 246 CB VAL A 29 23.499 91.644 23.326 1.00 0.00 ATOM 247 CG1 VAL A 29 24.798 92.363 23.004 1.00 0.00 ATOM 248 CG2 VAL A 29 22.594 91.714 22.106 1.00 0.00 ATOM 249 O VAL A 29 21.656 90.343 24.824 1.00 0.00 ATOM 250 C VAL A 29 22.461 89.617 24.237 1.00 0.00 ATOM 251 N VAL A 30 22.241 88.322 24.032 1.00 0.00 ATOM 252 CA VAL A 30 21.015 87.693 24.501 1.00 0.00 ATOM 253 CB VAL A 30 19.986 87.526 23.367 1.00 0.00 ATOM 254 CG1 VAL A 30 18.741 86.817 23.879 1.00 0.00 ATOM 255 CG2 VAL A 30 19.621 88.879 22.777 1.00 0.00 ATOM 256 O VAL A 30 22.217 85.617 24.584 1.00 0.00 ATOM 257 C VAL A 30 21.302 86.302 25.039 1.00 0.00 ATOM 258 N GLU A 31 20.530 85.928 26.077 1.00 0.00 ATOM 259 CA GLU A 31 20.592 84.604 26.662 1.00 0.00 ATOM 260 CB GLU A 31 21.225 84.790 28.042 1.00 0.00 ATOM 261 CG GLU A 31 21.560 83.488 28.750 1.00 0.00 ATOM 262 CD GLU A 31 22.206 83.710 30.103 1.00 0.00 ATOM 263 OE1 GLU A 31 22.394 84.884 30.487 1.00 0.00 ATOM 264 OE2 GLU A 31 22.525 82.711 30.781 1.00 0.00 ATOM 265 O GLU A 31 18.586 84.090 27.860 1.00 0.00 ATOM 266 C GLU A 31 19.231 83.951 26.825 1.00 0.00 ATOM 267 N PRO A 32 18.776 83.230 25.793 1.00 0.00 ATOM 268 CA PRO A 32 17.479 82.548 25.805 1.00 0.00 ATOM 269 CB PRO A 32 17.127 82.395 24.325 1.00 0.00 ATOM 270 CG PRO A 32 18.444 82.272 23.637 1.00 0.00 ATOM 271 CD PRO A 32 19.385 83.188 24.368 1.00 0.00 ATOM 272 O PRO A 32 18.522 80.577 26.701 1.00 0.00 ATOM 273 C PRO A 32 17.475 81.180 26.478 1.00 0.00 ATOM 274 N ASN A 33 16.282 80.687 26.791 1.00 0.00 ATOM 275 CA ASN A 33 16.150 79.368 27.393 1.00 0.00 ATOM 276 CB ASN A 33 15.213 79.422 28.600 1.00 0.00 ATOM 277 CG ASN A 33 15.775 80.253 29.735 1.00 0.00 ATOM 278 ND2 ASN A 33 15.159 81.403 29.987 1.00 0.00 ATOM 279 OD1 ASN A 33 16.749 79.865 30.380 1.00 0.00 ATOM 280 O ASN A 33 15.748 77.224 26.399 1.00 0.00 ATOM 281 C ASN A 33 15.569 78.440 26.343 1.00 0.00 ATOM 282 N ILE A 34 14.869 79.037 25.381 1.00 0.00 ATOM 283 CA ILE A 34 14.245 78.299 24.292 1.00 0.00 ATOM 284 CB ILE A 34 12.708 78.339 24.381 1.00 0.00 ATOM 285 CG1 ILE A 34 12.224 77.570 25.613 1.00 0.00 ATOM 286 CG2 ILE A 34 12.086 77.766 23.116 1.00 0.00 ATOM 287 CD1 ILE A 34 10.721 77.542 25.765 1.00 0.00 ATOM 288 O ILE A 34 14.451 80.051 22.668 1.00 0.00 ATOM 289 C ILE A 34 14.659 78.880 22.942 1.00 0.00 ATOM 290 N LEU A 35 15.259 78.054 22.083 1.00 0.00 ATOM 291 CA LEU A 35 15.703 78.496 20.786 1.00 0.00 ATOM 292 CB LEU A 35 17.193 78.162 20.653 1.00 0.00 ATOM 293 CG LEU A 35 17.780 78.338 19.247 1.00 0.00 ATOM 294 CD1 LEU A 35 17.888 79.818 18.909 1.00 0.00 ATOM 295 CD2 LEU A 35 19.145 77.668 19.177 1.00 0.00 ATOM 296 O LEU A 35 14.827 76.635 19.566 1.00 0.00 ATOM 297 C LEU A 35 14.906 77.858 19.653 1.00 0.00 ATOM 298 N PHE A 36 14.315 78.690 18.797 1.00 0.00 ATOM 299 CA PHE A 36 13.526 78.200 17.666 1.00 0.00 ATOM 300 CB PHE A 36 12.216 78.985 17.554 1.00 0.00 ATOM 301 CG PHE A 36 11.188 78.599 18.579 1.00 0.00 ATOM 302 CD1 PHE A 36 11.119 79.259 19.795 1.00 0.00 ATOM 303 CD2 PHE A 36 10.289 77.572 18.326 1.00 0.00 ATOM 304 CE1 PHE A 36 10.174 78.906 20.738 1.00 0.00 ATOM 305 CE2 PHE A 36 9.344 77.217 19.268 1.00 0.00 ATOM 306 CZ PHE A 36 9.286 77.884 20.477 1.00 0.00 ATOM 307 O PHE A 36 14.891 79.369 16.085 1.00 0.00 ATOM 308 C PHE A 36 14.376 78.297 16.401 1.00 0.00 ATOM 309 N ILE A 37 14.529 77.187 15.680 1.00 0.00 ATOM 310 CA ILE A 37 15.328 77.180 14.452 1.00 0.00 ATOM 311 CB ILE A 37 16.745 76.616 14.661 1.00 0.00 ATOM 312 CG1 ILE A 37 16.681 75.259 15.366 1.00 0.00 ATOM 313 CG2 ILE A 37 17.595 77.594 15.456 1.00 0.00 ATOM 314 CD1 ILE A 37 17.979 74.486 15.321 1.00 0.00 ATOM 315 O ILE A 37 14.084 75.269 13.663 1.00 0.00 ATOM 316 C ILE A 37 14.619 76.319 13.405 1.00 0.00 ATOM 317 N GLY A 38 14.650 76.938 12.116 1.00 0.00 ATOM 318 CA GLY A 38 14.019 76.174 11.030 1.00 0.00 ATOM 319 O GLY A 38 14.272 78.185 9.716 1.00 0.00 ATOM 320 C GLY A 38 13.675 77.143 9.902 1.00 0.00 ATOM 321 N ASP A 39 12.564 76.751 9.217 1.00 0.00 ATOM 322 CA ASP A 39 12.103 77.448 8.021 1.00 0.00 ATOM 323 CB ASP A 39 11.590 76.489 6.945 1.00 0.00 ATOM 324 CG ASP A 39 10.387 75.688 7.400 1.00 0.00 ATOM 325 OD1 ASP A 39 9.876 75.963 8.506 1.00 0.00 ATOM 326 OD2 ASP A 39 9.956 74.785 6.653 1.00 0.00 ATOM 327 O ASP A 39 10.733 78.822 9.463 1.00 0.00 ATOM 328 C ASP A 39 10.968 78.430 8.305 1.00 0.00 ATOM 329 N SER A 40 10.159 78.881 7.261 1.00 0.00 ATOM 330 CA SER A 40 9.014 79.765 7.417 1.00 0.00 ATOM 331 CB SER A 40 8.272 79.894 6.102 1.00 0.00 ATOM 332 OG SER A 40 7.908 78.644 5.578 1.00 0.00 ATOM 333 O SER A 40 7.466 80.234 9.189 1.00 0.00 ATOM 334 C SER A 40 7.989 79.376 8.480 1.00 0.00 ATOM 335 N ILE A 41 7.687 78.080 8.640 1.00 0.00 ATOM 336 CA ILE A 41 6.727 77.733 9.692 1.00 0.00 ATOM 337 CB ILE A 41 6.395 76.228 9.678 1.00 0.00 ATOM 338 CG1 ILE A 41 5.763 75.837 8.339 1.00 0.00 ATOM 339 CG2 ILE A 41 5.467 75.879 10.831 1.00 0.00 ATOM 340 CD1 ILE A 41 4.506 76.607 8.007 1.00 0.00 ATOM 341 O ILE A 41 6.283 78.360 11.980 1.00 0.00 ATOM 342 C ILE A 41 7.131 78.111 11.118 1.00 0.00 ATOM 343 N VAL A 42 8.437 78.167 11.351 1.00 0.00 ATOM 344 CA VAL A 42 8.982 78.518 12.655 1.00 0.00 ATOM 345 CB VAL A 42 10.445 78.054 12.823 1.00 0.00 ATOM 346 CG1 VAL A 42 11.004 78.547 14.164 1.00 0.00 ATOM 347 CG2 VAL A 42 10.447 76.525 12.871 1.00 0.00 ATOM 348 O VAL A 42 8.596 80.483 13.967 1.00 0.00 ATOM 349 C VAL A 42 8.986 80.019 12.897 1.00 0.00 ATOM 350 N GLU A 43 9.451 80.786 11.904 1.00 0.00 ATOM 351 CA GLU A 43 9.503 82.228 12.072 1.00 0.00 ATOM 352 CB GLU A 43 10.079 82.883 10.852 1.00 0.00 ATOM 353 CG GLU A 43 10.123 84.392 10.851 1.00 0.00 ATOM 354 CD GLU A 43 11.096 84.941 9.816 1.00 0.00 ATOM 355 OE1 GLU A 43 11.759 84.131 9.083 1.00 0.00 ATOM 356 OE2 GLU A 43 11.190 86.186 9.727 1.00 0.00 ATOM 357 O GLU A 43 7.903 83.617 13.212 1.00 0.00 ATOM 358 C GLU A 43 8.100 82.774 12.308 1.00 0.00 ATOM 359 N TYR A 44 7.171 82.345 11.477 1.00 0.00 ATOM 360 CA TYR A 44 5.808 82.865 11.509 1.00 0.00 ATOM 361 CB TYR A 44 5.057 82.440 10.247 1.00 0.00 ATOM 362 CG TYR A 44 5.715 82.890 8.960 1.00 0.00 ATOM 363 CD1 TYR A 44 6.688 83.876 8.966 1.00 0.00 ATOM 364 CD2 TYR A 44 5.362 82.322 7.744 1.00 0.00 ATOM 365 CE1 TYR A 44 7.293 84.292 7.795 1.00 0.00 ATOM 366 CE2 TYR A 44 5.961 82.728 6.567 1.00 0.00 ATOM 367 CZ TYR A 44 6.925 83.713 6.596 1.00 0.00 ATOM 368 OH TYR A 44 7.526 84.122 5.428 1.00 0.00 ATOM 369 O TYR A 44 4.435 83.230 13.415 1.00 0.00 ATOM 370 C TYR A 44 5.075 82.417 12.751 1.00 0.00 ATOM 371 N TYR A 45 5.190 81.161 13.116 1.00 0.00 ATOM 372 CA TYR A 45 4.627 80.705 14.407 1.00 0.00 ATOM 373 CB TYR A 45 4.918 79.228 14.609 1.00 0.00 ATOM 374 CG TYR A 45 4.730 78.786 16.044 1.00 0.00 ATOM 375 CD1 TYR A 45 3.435 78.741 16.565 1.00 0.00 ATOM 376 CD2 TYR A 45 5.777 78.411 16.854 1.00 0.00 ATOM 377 CE1 TYR A 45 3.198 78.347 17.876 1.00 0.00 ATOM 378 CE2 TYR A 45 5.552 78.031 18.177 1.00 0.00 ATOM 379 CZ TYR A 45 4.260 78.004 18.674 1.00 0.00 ATOM 380 OH TYR A 45 4.030 77.613 19.975 1.00 0.00 ATOM 381 O TYR A 45 4.437 81.987 16.456 1.00 0.00 ATOM 382 C TYR A 45 5.182 81.544 15.585 1.00 0.00 ATOM 383 N PRO A 46 6.486 81.775 15.613 1.00 0.00 ATOM 384 CA PRO A 46 7.101 82.608 16.648 1.00 0.00 ATOM 385 CB PRO A 46 8.568 82.399 16.431 1.00 0.00 ATOM 386 CG PRO A 46 8.625 81.066 15.979 1.00 0.00 ATOM 387 CD PRO A 46 7.517 80.911 14.940 1.00 0.00 ATOM 388 O PRO A 46 6.949 84.836 17.554 1.00 0.00 ATOM 389 C PRO A 46 6.721 84.091 16.595 1.00 0.00 ATOM 390 N LEU A 47 6.136 84.518 15.481 1.00 0.00 ATOM 391 CA LEU A 47 5.735 85.902 15.285 1.00 0.00 ATOM 392 CB LEU A 47 5.048 86.066 13.923 1.00 0.00 ATOM 393 CG LEU A 47 4.694 87.509 13.542 1.00 0.00 ATOM 394 CD1 LEU A 47 5.961 88.350 13.452 1.00 0.00 ATOM 395 CD2 LEU A 47 3.948 87.513 12.215 1.00 0.00 ATOM 396 O LEU A 47 4.530 87.653 16.448 1.00 0.00 ATOM 397 C LEU A 47 4.768 86.436 16.334 1.00 0.00 ATOM 398 N GLN A 48 4.147 85.468 17.095 1.00 0.00 ATOM 399 CA GLN A 48 3.069 85.834 17.997 1.00 0.00 ATOM 400 CB GLN A 48 1.937 84.803 17.968 1.00 0.00 ATOM 401 CG GLN A 48 1.275 84.646 16.611 1.00 0.00 ATOM 402 CD GLN A 48 0.596 85.920 16.146 1.00 0.00 ATOM 403 OE1 GLN A 48 -0.228 86.497 16.863 1.00 0.00 ATOM 404 NE2 GLN A 48 0.932 86.363 14.941 1.00 0.00 ATOM 405 O GLN A 48 4.602 85.347 19.828 1.00 0.00 ATOM 406 C GLN A 48 3.625 85.973 19.417 1.00 0.00 ATOM 407 N GLU A 49 3.059 86.852 20.371 1.00 0.00 ATOM 408 CA GLU A 49 3.609 87.035 21.725 1.00 0.00 ATOM 409 CB GLU A 49 3.638 88.513 22.115 1.00 0.00 ATOM 410 CG GLU A 49 4.559 89.371 21.258 1.00 0.00 ATOM 411 CD GLU A 49 4.509 90.814 21.678 1.00 0.00 ATOM 412 OE1 GLU A 49 3.768 91.125 22.579 1.00 0.00 ATOM 413 OE2 GLU A 49 5.296 91.585 21.179 1.00 0.00 ATOM 414 O GLU A 49 3.472 86.135 23.947 1.00 0.00 ATOM 415 C GLU A 49 2.898 86.305 22.874 1.00 0.00 ATOM 416 N LEU A 50 1.700 85.883 22.669 1.00 0.00 ATOM 417 CA LEU A 50 0.931 85.228 23.734 1.00 0.00 ATOM 418 CB LEU A 50 -0.496 84.940 23.251 1.00 0.00 ATOM 419 CG LEU A 50 -1.410 84.262 24.280 1.00 0.00 ATOM 420 CD1 LEU A 50 -1.571 85.155 25.502 1.00 0.00 ATOM 421 CD2 LEU A 50 -2.760 83.965 23.645 1.00 0.00 ATOM 422 O LEU A 50 1.513 83.702 25.490 1.00 0.00 ATOM 423 C LEU A 50 1.506 83.924 24.277 1.00 0.00 ATOM 424 N PHE A 51 1.996 83.073 23.381 1.00 0.00 ATOM 425 CA PHE A 51 2.514 81.771 23.775 1.00 0.00 ATOM 426 CB PHE A 51 2.071 80.687 22.678 1.00 0.00 ATOM 427 CG PHE A 51 0.588 80.425 22.506 1.00 0.00 ATOM 428 CD1 PHE A 51 -0.182 81.220 21.673 1.00 0.00 ATOM 429 CD2 PHE A 51 0.016 79.357 23.184 1.00 0.00 ATOM 430 CE1 PHE A 51 -1.531 80.951 21.515 1.00 0.00 ATOM 431 CE2 PHE A 51 -1.336 79.099 23.038 1.00 0.00 ATOM 432 CZ PHE A 51 -2.090 79.894 22.200 1.00 0.00 ATOM 433 O PHE A 51 4.455 80.997 24.935 1.00 0.00 ATOM 434 C PHE A 51 4.021 81.619 23.965 1.00 0.00 ATOM 435 N GLY A 52 4.822 82.194 23.073 1.00 0.00 ATOM 436 CA GLY A 52 6.264 82.022 23.173 1.00 0.00 ATOM 437 O GLY A 52 8.081 82.951 24.389 1.00 0.00 ATOM 438 C GLY A 52 7.044 83.174 23.787 1.00 0.00 ATOM 439 N THR A 53 6.678 84.392 23.573 1.00 0.00 ATOM 440 CA THR A 53 7.434 85.573 23.999 1.00 0.00 ATOM 441 CB THR A 53 6.702 86.904 23.741 1.00 0.00 ATOM 442 CG2 THR A 53 7.497 88.066 24.317 1.00 0.00 ATOM 443 OG1 THR A 53 6.547 87.101 22.331 1.00 0.00 ATOM 444 O THR A 53 8.732 85.842 25.981 1.00 0.00 ATOM 445 C THR A 53 7.654 85.512 25.520 1.00 0.00 ATOM 446 N SER A 54 6.653 85.030 26.254 1.00 0.00 ATOM 447 CA SER A 54 6.841 84.856 27.705 1.00 0.00 ATOM 448 CB SER A 54 5.535 84.441 28.355 1.00 0.00 ATOM 449 OG SER A 54 5.121 83.170 27.939 1.00 0.00 ATOM 450 O SER A 54 8.392 83.875 29.250 1.00 0.00 ATOM 451 C SER A 54 7.896 83.844 28.121 1.00 0.00 ATOM 452 N LYS A 55 8.249 82.941 27.217 1.00 0.00 ATOM 453 CA LYS A 55 9.241 81.924 27.544 1.00 0.00 ATOM 454 CB LYS A 55 8.978 80.636 26.762 1.00 0.00 ATOM 455 CG LYS A 55 7.633 79.985 27.053 1.00 0.00 ATOM 456 CD LYS A 55 7.540 79.533 28.502 1.00 0.00 ATOM 457 CE LYS A 55 8.462 78.351 28.772 1.00 0.00 ATOM 458 NZ LYS A 55 8.319 77.841 30.163 1.00 0.00 ATOM 459 O LYS A 55 11.599 81.579 27.420 1.00 0.00 ATOM 460 C LYS A 55 10.673 82.379 27.292 1.00 0.00 ATOM 461 N THR A 56 10.856 83.654 26.946 1.00 0.00 ATOM 462 CA THR A 56 12.195 84.181 26.682 1.00 0.00 ATOM 463 CB THR A 56 13.105 84.085 27.920 1.00 0.00 ATOM 464 CG2 THR A 56 14.398 84.853 27.692 1.00 0.00 ATOM 465 OG1 THR A 56 12.425 84.627 29.061 1.00 0.00 ATOM 466 O THR A 56 13.784 82.696 25.623 1.00 0.00 ATOM 467 C THR A 56 12.750 83.368 25.502 1.00 0.00 ATOM 468 N ILE A 57 12.047 83.425 24.370 1.00 0.00 ATOM 469 CA ILE A 57 12.432 82.668 23.182 1.00 0.00 ATOM 470 CB ILE A 57 11.235 81.899 22.595 1.00 0.00 ATOM 471 CG1 ILE A 57 10.252 82.867 21.932 1.00 0.00 ATOM 472 CG2 ILE A 57 10.539 81.090 23.679 1.00 0.00 ATOM 473 CD1 ILE A 57 9.171 82.183 21.127 1.00 0.00 ATOM 474 O ILE A 57 12.890 84.682 21.941 1.00 0.00 ATOM 475 C ILE A 57 13.130 83.485 22.091 1.00 0.00 ATOM 476 N VAL A 58 13.994 82.809 21.314 1.00 0.00 ATOM 477 CA VAL A 58 14.659 83.483 20.215 1.00 0.00 ATOM 478 CB VAL A 58 16.186 83.557 20.426 1.00 0.00 ATOM 479 CG1 VAL A 58 16.857 84.235 19.227 1.00 0.00 ATOM 480 CG2 VAL A 58 16.503 84.288 21.715 1.00 0.00 ATOM 481 O VAL A 58 14.699 81.473 18.884 1.00 0.00 ATOM 482 C VAL A 58 14.434 82.678 18.936 1.00 0.00 ATOM 483 N ASN A 59 13.978 83.372 17.908 1.00 0.00 ATOM 484 CA ASN A 59 13.687 82.747 16.628 1.00 0.00 ATOM 485 CB ASN A 59 12.483 83.446 16.050 1.00 0.00 ATOM 486 CG ASN A 59 12.450 84.960 16.085 1.00 0.00 ATOM 487 ND2 ASN A 59 11.985 85.571 14.998 1.00 0.00 ATOM 488 OD1 ASN A 59 12.825 85.573 17.080 1.00 0.00 ATOM 489 O ASN A 59 14.871 84.077 15.060 1.00 0.00 ATOM 490 C ASN A 59 14.766 82.959 15.566 1.00 0.00 ATOM 491 N ARG A 60 15.478 81.946 15.159 1.00 0.00 ATOM 492 CA ARG A 60 16.470 82.029 14.089 1.00 0.00 ATOM 493 CB ARG A 60 17.896 81.755 14.932 1.00 0.00 ATOM 494 CG ARG A 60 18.037 82.362 16.319 1.00 0.00 ATOM 495 CD ARG A 60 19.312 81.900 17.008 1.00 0.00 ATOM 496 NE ARG A 60 19.500 82.534 18.314 1.00 0.00 ATOM 497 CZ ARG A 60 20.387 82.120 19.219 1.00 0.00 ATOM 498 NH1 ARG A 60 21.173 81.090 18.957 1.00 0.00 ATOM 499 NH2 ARG A 60 20.502 82.756 20.385 1.00 0.00 ATOM 500 O ARG A 60 16.820 80.915 11.972 1.00 0.00 ATOM 501 C ARG A 60 16.031 81.427 12.765 1.00 0.00 ATOM 502 N GLY A 61 14.703 81.518 12.508 1.00 0.00 ATOM 503 CA GLY A 61 14.156 80.987 11.250 1.00 0.00 ATOM 504 O GLY A 61 14.456 83.065 10.111 1.00 0.00 ATOM 505 C GLY A 61 14.464 81.842 10.032 1.00 0.00 ATOM 506 N ILE A 62 14.752 81.200 8.904 1.00 0.00 ATOM 507 CA ILE A 62 15.017 81.929 7.673 1.00 0.00 ATOM 508 CB ILE A 62 16.070 82.658 7.333 1.00 0.00 ATOM 509 CG1 ILE A 62 15.755 84.068 7.881 1.00 0.00 ATOM 510 CG2 ILE A 62 16.363 82.692 5.837 1.00 0.00 ATOM 511 CD1 ILE A 62 14.575 84.803 7.211 1.00 0.00 ATOM 512 O ILE A 62 14.324 80.099 6.304 1.00 0.00 ATOM 513 C ILE A 62 14.223 81.301 6.547 1.00 0.00 ATOM 514 N ARG A 63 13.435 82.122 5.859 1.00 0.00 ATOM 515 CA ARG A 63 12.620 81.621 4.771 1.00 0.00 ATOM 516 CB ARG A 63 11.651 82.672 4.248 1.00 0.00 ATOM 517 CG ARG A 63 10.686 82.181 3.182 1.00 0.00 ATOM 518 CD ARG A 63 9.726 83.207 2.703 1.00 0.00 ATOM 519 NE ARG A 63 8.781 82.733 1.706 1.00 0.00 ATOM 520 CZ ARG A 63 7.845 83.497 1.114 1.00 0.00 ATOM 521 NH1 ARG A 63 7.694 84.761 1.442 1.00 0.00 ATOM 522 NH2 ARG A 63 7.060 82.935 0.208 1.00 0.00 ATOM 523 O ARG A 63 14.567 81.687 3.354 1.00 0.00 ATOM 524 C ARG A 63 13.548 81.080 3.680 1.00 0.00 ATOM 525 N GLY A 64 13.093 79.915 3.183 1.00 0.00 ATOM 526 CA GLY A 64 13.820 79.227 2.127 1.00 0.00 ATOM 527 O GLY A 64 15.814 77.989 1.681 1.00 0.00 ATOM 528 C GLY A 64 15.006 78.374 2.530 1.00 0.00 ATOM 529 N TYR A 65 15.099 78.097 3.802 1.00 0.00 ATOM 530 CA TYR A 65 16.211 77.293 4.286 1.00 0.00 ATOM 531 CB TYR A 65 16.461 77.550 5.782 1.00 0.00 ATOM 532 CG TYR A 65 17.283 78.777 6.098 1.00 0.00 ATOM 533 CD1 TYR A 65 17.478 79.786 5.142 1.00 0.00 ATOM 534 CD2 TYR A 65 17.906 78.917 7.347 1.00 0.00 ATOM 535 CE1 TYR A 65 18.272 80.889 5.420 1.00 0.00 ATOM 536 CE2 TYR A 65 18.705 80.021 7.637 1.00 0.00 ATOM 537 CZ TYR A 65 18.881 80.994 6.664 1.00 0.00 ATOM 538 OH TYR A 65 19.686 82.062 6.922 1.00 0.00 ATOM 539 O TYR A 65 14.788 75.380 3.999 1.00 0.00 ATOM 540 C TYR A 65 15.940 75.810 4.079 1.00 0.00 ATOM 541 N GLN A 66 17.024 75.039 3.986 1.00 0.00 ATOM 542 CA GLN A 66 16.946 73.588 3.831 1.00 0.00 ATOM 543 CB GLN A 66 17.449 73.119 2.464 1.00 0.00 ATOM 544 CG GLN A 66 16.622 73.616 1.291 1.00 0.00 ATOM 545 CD GLN A 66 17.224 73.229 -0.047 1.00 0.00 ATOM 546 OE1 GLN A 66 18.250 72.546 -0.108 1.00 0.00 ATOM 547 NE2 GLN A 66 16.589 73.665 -1.127 1.00 0.00 ATOM 548 O GLN A 66 18.337 73.834 5.774 1.00 0.00 ATOM 549 C GLN A 66 17.770 73.064 4.999 1.00 0.00 ATOM 550 N THR A 67 17.847 71.748 5.112 1.00 0.00 ATOM 551 CA THR A 67 18.631 71.138 6.168 1.00 0.00 ATOM 552 CB THR A 67 18.596 69.601 6.080 1.00 0.00 ATOM 553 CG2 THR A 67 17.159 69.100 6.071 1.00 0.00 ATOM 554 OG1 THR A 67 19.256 69.172 4.882 1.00 0.00 ATOM 555 O THR A 67 20.721 71.851 7.127 1.00 0.00 ATOM 556 C THR A 67 20.096 71.613 6.096 1.00 0.00 ATOM 557 N GLY A 68 20.643 71.724 4.884 1.00 0.00 ATOM 558 CA GLY A 68 22.036 72.151 4.702 1.00 0.00 ATOM 559 O GLY A 68 23.254 73.849 5.851 1.00 0.00 ATOM 560 C GLY A 68 22.247 73.562 5.206 1.00 0.00 ATOM 561 N LEU A 69 21.295 74.438 4.909 1.00 0.00 ATOM 562 CA LEU A 69 21.403 75.823 5.354 1.00 0.00 ATOM 563 CB LEU A 69 20.308 76.673 4.697 1.00 0.00 ATOM 564 CG LEU A 69 20.547 77.022 3.223 1.00 0.00 ATOM 565 CD1 LEU A 69 19.254 77.516 2.589 1.00 0.00 ATOM 566 CD2 LEU A 69 21.636 78.077 3.119 1.00 0.00 ATOM 567 O LEU A 69 22.047 76.737 7.472 1.00 0.00 ATOM 568 C LEU A 69 21.324 75.940 6.864 1.00 0.00 ATOM 569 N LEU A 70 20.432 75.160 7.467 1.00 0.00 ATOM 570 CA LEU A 70 20.266 75.178 8.919 1.00 0.00 ATOM 571 CB LEU A 70 19.017 74.386 9.321 1.00 0.00 ATOM 572 CG LEU A 70 18.569 74.564 10.778 1.00 0.00 ATOM 573 CD1 LEU A 70 18.417 76.046 11.100 1.00 0.00 ATOM 574 CD2 LEU A 70 17.260 73.825 11.002 1.00 0.00 ATOM 575 O LEU A 70 21.908 75.097 10.662 1.00 0.00 ATOM 576 C LEU A 70 21.502 74.613 9.608 1.00 0.00 ATOM 577 N LEU A 71 22.104 73.601 9.001 1.00 0.00 ATOM 578 CA LEU A 71 23.317 73.025 9.573 1.00 0.00 ATOM 579 CB LEU A 71 23.738 71.781 8.780 1.00 0.00 ATOM 580 CG LEU A 71 25.013 71.089 9.280 1.00 0.00 ATOM 581 CD1 LEU A 71 24.813 70.602 10.709 1.00 0.00 ATOM 582 CD2 LEU A 71 25.356 69.929 8.357 1.00 0.00 ATOM 583 O LEU A 71 25.194 74.256 10.570 1.00 0.00 ATOM 584 C LEU A 71 24.429 74.048 9.584 1.00 0.00 ATOM 585 N GLU A 72 24.659 74.762 8.510 1.00 0.00 ATOM 586 CA GLU A 72 25.671 75.832 8.544 1.00 0.00 ATOM 587 CB GLU A 72 25.770 76.519 7.179 1.00 0.00 ATOM 588 CG GLU A 72 26.645 77.763 7.163 1.00 0.00 ATOM 589 CD GLU A 72 28.089 77.420 7.391 1.00 0.00 ATOM 590 OE1 GLU A 72 28.416 76.258 7.362 1.00 0.00 ATOM 591 OE2 GLU A 72 28.886 78.324 7.486 1.00 0.00 ATOM 592 O GLU A 72 26.239 77.355 10.316 1.00 0.00 ATOM 593 C GLU A 72 25.345 76.856 9.630 1.00 0.00 ATOM 594 N ASN A 73 24.077 77.168 9.785 1.00 0.00 ATOM 595 CA ASN A 73 23.674 78.137 10.797 1.00 0.00 ATOM 596 CB ASN A 73 22.219 78.540 10.631 1.00 0.00 ATOM 597 CG ASN A 73 21.970 79.426 9.442 1.00 0.00 ATOM 598 ND2 ASN A 73 20.722 79.519 9.059 1.00 0.00 ATOM 599 OD1 ASN A 73 22.884 80.078 8.926 1.00 0.00 ATOM 600 O ASN A 73 24.369 78.345 13.073 1.00 0.00 ATOM 601 C ASN A 73 23.911 77.606 12.205 1.00 0.00 ATOM 602 N LEU A 74 23.590 76.327 12.432 1.00 0.00 ATOM 603 CA LEU A 74 23.816 75.740 13.750 1.00 0.00 ATOM 604 CB LEU A 74 23.442 74.292 13.786 1.00 0.00 ATOM 605 CG LEU A 74 21.900 74.114 13.883 1.00 0.00 ATOM 606 CD1 LEU A 74 21.588 72.624 13.617 1.00 0.00 ATOM 607 CD2 LEU A 74 21.374 74.519 15.248 1.00 0.00 ATOM 608 O LEU A 74 25.663 76.211 15.208 1.00 0.00 ATOM 609 C LEU A 74 25.298 75.845 14.117 1.00 0.00 ATOM 610 N ASP A 75 26.197 75.553 13.143 1.00 0.00 ATOM 611 CA ASP A 75 27.638 75.647 13.403 1.00 0.00 ATOM 612 CB ASP A 75 28.418 75.146 12.182 1.00 0.00 ATOM 613 CG ASP A 75 28.352 73.640 11.971 1.00 0.00 ATOM 614 OD1 ASP A 75 27.917 72.952 12.864 1.00 0.00 ATOM 615 OD2 ASP A 75 28.584 73.204 10.869 1.00 0.00 ATOM 616 O ASP A 75 28.874 77.288 14.703 1.00 0.00 ATOM 617 C ASP A 75 28.069 77.069 13.769 1.00 0.00 ATOM 618 N ALA A 76 27.529 78.070 13.049 1.00 0.00 ATOM 619 CA ALA A 76 27.898 79.444 13.373 1.00 0.00 ATOM 620 CB ALA A 76 27.971 80.272 12.100 1.00 0.00 ATOM 621 O ALA A 76 27.395 80.897 15.216 1.00 0.00 ATOM 622 C ALA A 76 26.987 80.013 14.458 1.00 0.00 ATOM 623 N HIS A 77 25.762 79.505 14.540 1.00 0.00 ATOM 624 CA HIS A 77 24.801 80.031 15.498 1.00 0.00 ATOM 625 CB HIS A 77 23.436 80.266 14.844 1.00 0.00 ATOM 626 CG HIS A 77 23.471 81.244 13.711 1.00 0.00 ATOM 627 CD2 HIS A 77 24.382 82.186 13.374 1.00 0.00 ATOM 628 ND1 HIS A 77 22.472 81.320 12.762 1.00 0.00 ATOM 629 CE1 HIS A 77 22.771 82.267 11.891 1.00 0.00 ATOM 630 NE2 HIS A 77 23.924 82.809 12.239 1.00 0.00 ATOM 631 O HIS A 77 23.521 79.318 17.395 1.00 0.00 ATOM 632 C HIS A 77 24.561 79.192 16.752 1.00 0.00 ATOM 633 N LEU A 78 25.526 78.349 17.107 1.00 0.00 ATOM 634 CA LEU A 78 25.397 77.529 18.310 1.00 0.00 ATOM 635 CB LEU A 78 25.441 76.053 17.957 1.00 0.00 ATOM 636 CG LEU A 78 24.190 75.510 17.261 1.00 0.00 ATOM 637 CD1 LEU A 78 24.411 74.058 16.878 1.00 0.00 ATOM 638 CD2 LEU A 78 22.988 75.642 18.190 1.00 0.00 ATOM 639 O LEU A 78 26.702 77.090 20.263 1.00 0.00 ATOM 640 C LEU A 78 26.453 77.875 19.352 1.00 0.00 ATOM 641 N TYR A 79 27.057 79.051 19.219 1.00 0.00 ATOM 642 CA TYR A 79 28.095 79.482 20.145 1.00 0.00 ATOM 643 CB TYR A 79 29.343 79.929 19.380 1.00 0.00 ATOM 644 CG TYR A 79 30.015 78.819 18.604 1.00 0.00 ATOM 645 CD1 TYR A 79 29.881 77.494 18.990 1.00 0.00 ATOM 646 CD2 TYR A 79 30.781 79.100 17.482 1.00 0.00 ATOM 647 CE1 TYR A 79 30.492 76.478 18.285 1.00 0.00 ATOM 648 CE2 TYR A 79 31.397 78.092 16.766 1.00 0.00 ATOM 649 CZ TYR A 79 31.251 76.780 17.171 1.00 0.00 ATOM 650 OH TYR A 79 31.861 75.770 16.463 1.00 0.00 ATOM 651 O TYR A 79 26.729 81.357 20.762 1.00 0.00 ATOM 652 C TYR A 79 27.662 80.616 21.070 1.00 0.00 ATOM 653 N GLY A 80 28.337 80.781 22.277 1.00 0.00 ATOM 654 CA GLY A 80 27.997 81.831 23.218 1.00 0.00 ATOM 655 O GLY A 80 26.244 82.620 24.649 1.00 0.00 ATOM 656 C GLY A 80 26.638 81.725 23.895 1.00 0.00 ATOM 657 N GLY A 81 25.927 80.636 23.621 1.00 0.00 ATOM 658 CA GLY A 81 24.609 80.400 24.213 1.00 0.00 ATOM 659 O GLY A 81 25.361 78.122 24.426 1.00 0.00 ATOM 660 C GLY A 81 24.545 78.977 24.772 1.00 0.00 ATOM 661 N ALA A 82 23.560 78.742 25.640 1.00 0.00 ATOM 662 CA ALA A 82 23.377 77.428 26.240 1.00 0.00 ATOM 663 CB ALA A 82 24.301 77.200 27.463 1.00 0.00 ATOM 664 O ALA A 82 21.586 77.123 27.822 1.00 0.00 ATOM 665 C ALA A 82 21.920 77.245 26.641 1.00 0.00 ATOM 666 N VAL A 83 21.022 77.229 25.651 1.00 0.00 ATOM 667 CA VAL A 83 19.600 77.088 25.890 1.00 0.00 ATOM 668 CB VAL A 83 18.790 77.222 24.588 1.00 0.00 ATOM 669 CG1 VAL A 83 18.994 78.599 23.973 1.00 0.00 ATOM 670 CG2 VAL A 83 19.186 76.135 23.600 1.00 0.00 ATOM 671 O VAL A 83 20.007 74.818 26.559 1.00 0.00 ATOM 672 C VAL A 83 19.217 75.762 26.543 1.00 0.00 ATOM 673 N ASP A 84 18.067 75.690 27.115 1.00 0.00 ATOM 674 CA ASP A 84 17.561 74.462 27.723 1.00 0.00 ATOM 675 CB ASP A 84 16.717 74.778 28.959 1.00 0.00 ATOM 676 CG ASP A 84 17.489 75.441 30.095 1.00 0.00 ATOM 677 OD1 ASP A 84 18.458 74.873 30.539 1.00 0.00 ATOM 678 OD2 ASP A 84 17.199 76.574 30.400 1.00 0.00 ATOM 679 O ASP A 84 16.865 72.438 26.690 1.00 0.00 ATOM 680 C ASP A 84 16.753 73.660 26.718 1.00 0.00 ATOM 681 N LYS A 85 15.919 74.340 25.958 1.00 0.00 ATOM 682 CA LYS A 85 15.074 73.660 24.970 1.00 0.00 ATOM 683 CB LYS A 85 13.598 73.785 25.364 1.00 0.00 ATOM 684 CG LYS A 85 13.029 72.559 26.063 1.00 0.00 ATOM 685 CD LYS A 85 13.244 72.627 27.568 1.00 0.00 ATOM 686 CE LYS A 85 12.316 73.645 28.213 1.00 0.00 ATOM 687 NZ LYS A 85 12.640 73.864 29.648 1.00 0.00 ATOM 688 O LYS A 85 15.483 75.445 23.416 1.00 0.00 ATOM 689 C LYS A 85 15.344 74.232 23.579 1.00 0.00 ATOM 690 N ILE A 86 15.425 73.348 22.589 1.00 0.00 ATOM 691 CA ILE A 86 15.665 73.742 21.198 1.00 0.00 ATOM 692 CB ILE A 86 17.045 73.293 20.688 1.00 0.00 ATOM 693 CG1 ILE A 86 17.337 73.916 19.320 1.00 0.00 ATOM 694 CG2 ILE A 86 17.117 71.777 20.611 1.00 0.00 ATOM 695 CD1 ILE A 86 18.788 73.817 18.900 1.00 0.00 ATOM 696 O ILE A 86 14.389 71.930 20.257 1.00 0.00 ATOM 697 C ILE A 86 14.573 73.147 20.302 1.00 0.00 ATOM 698 N PHE A 87 13.861 74.012 19.589 1.00 0.00 ATOM 699 CA PHE A 87 12.787 73.583 18.698 1.00 0.00 ATOM 700 CB PHE A 87 11.571 74.539 18.781 1.00 0.00 ATOM 701 CG PHE A 87 10.290 74.024 18.161 1.00 0.00 ATOM 702 CD1 PHE A 87 10.208 73.772 16.795 1.00 0.00 ATOM 703 CD2 PHE A 87 9.150 73.801 18.951 1.00 0.00 ATOM 704 CE1 PHE A 87 9.045 73.309 16.214 1.00 0.00 ATOM 705 CE2 PHE A 87 7.964 73.330 18.367 1.00 0.00 ATOM 706 CZ PHE A 87 7.912 73.082 16.982 1.00 0.00 ATOM 707 O PHE A 87 13.718 74.624 16.742 1.00 0.00 ATOM 708 C PHE A 87 13.259 73.596 17.245 1.00 0.00 ATOM 709 N LEU A 88 13.169 72.434 16.574 1.00 0.00 ATOM 710 CA LEU A 88 13.592 72.301 15.192 1.00 0.00 ATOM 711 CB LEU A 88 14.665 71.209 15.102 1.00 0.00 ATOM 712 CG LEU A 88 15.019 70.758 13.679 1.00 0.00 ATOM 713 CD1 LEU A 88 15.656 71.909 12.910 1.00 0.00 ATOM 714 CD2 LEU A 88 15.961 69.564 13.744 1.00 0.00 ATOM 715 O LEU A 88 11.697 71.050 14.414 1.00 0.00 ATOM 716 C LEU A 88 12.440 72.013 14.237 1.00 0.00 ATOM 717 N LEU A 89 12.282 72.895 13.126 1.00 0.00 ATOM 718 CA LEU A 89 11.256 72.667 12.118 1.00 0.00 ATOM 719 CB LEU A 89 10.008 73.520 12.372 1.00 0.00 ATOM 720 CG LEU A 89 8.680 72.883 11.936 1.00 0.00 ATOM 721 CD1 LEU A 89 7.614 73.959 11.774 1.00 0.00 ATOM 722 CD2 LEU A 89 8.886 72.126 10.633 1.00 0.00 ATOM 723 O LEU A 89 11.696 74.029 10.201 1.00 0.00 ATOM 724 C LEU A 89 11.769 72.910 10.700 1.00 0.00 ATOM 725 N ILE A 90 12.253 71.859 10.043 1.00 0.00 ATOM 726 CA ILE A 90 12.784 71.980 8.678 1.00 0.00 ATOM 727 CB ILE A 90 14.283 72.325 8.700 1.00 0.00 ATOM 728 CG1 ILE A 90 14.718 72.896 7.348 1.00 0.00 ATOM 729 CG2 ILE A 90 15.109 71.097 9.053 1.00 0.00 ATOM 730 CD1 ILE A 90 14.540 74.393 7.232 1.00 0.00 ATOM 731 O ILE A 90 12.468 69.609 8.423 1.00 0.00 ATOM 732 C ILE A 90 12.595 70.698 7.862 1.00 0.00 ATOM 733 N GLY A 91 12.606 70.832 6.538 1.00 0.00 ATOM 734 CA GLY A 91 12.482 69.664 5.689 1.00 0.00 ATOM 735 O GLY A 91 11.566 69.103 3.554 1.00 0.00 ATOM 736 C GLY A 91 11.448 69.764 4.586 1.00 0.00 ATOM 737 N THR A 92 10.437 70.565 4.775 1.00 0.00 ATOM 738 CA THR A 92 9.375 70.748 3.792 1.00 0.00 ATOM 739 CB THR A 92 8.346 71.793 4.260 1.00 0.00 ATOM 740 CG2 THR A 92 7.272 71.995 3.203 1.00 0.00 ATOM 741 OG1 THR A 92 7.726 71.350 5.473 1.00 0.00 ATOM 742 O THR A 92 9.678 70.684 1.381 1.00 0.00 ATOM 743 C THR A 92 9.936 71.262 2.448 1.00 0.00 ATOM 744 N ASN A 93 10.708 72.290 2.495 1.00 0.00 ATOM 745 CA ASN A 93 11.303 72.807 1.285 1.00 0.00 ATOM 746 CB ASN A 93 12.043 74.121 1.539 1.00 0.00 ATOM 747 CG ASN A 93 11.105 75.273 1.836 1.00 0.00 ATOM 748 ND2 ASN A 93 11.624 76.312 2.476 1.00 0.00 ATOM 749 OD1 ASN A 93 9.924 75.227 1.489 1.00 0.00 ATOM 750 O ASN A 93 12.314 71.727 -0.549 1.00 0.00 ATOM 751 C ASN A 93 12.266 71.824 0.675 1.00 0.00 ATOM 752 N ASP A 94 13.040 71.112 1.484 1.00 0.00 ATOM 753 CA ASP A 94 13.986 70.134 0.958 1.00 0.00 ATOM 754 CB ASP A 94 14.891 69.607 2.074 1.00 0.00 ATOM 755 CG ASP A 94 16.278 69.181 1.612 1.00 0.00 ATOM 756 OD1 ASP A 94 16.631 69.484 0.496 1.00 0.00 ATOM 757 OD2 ASP A 94 17.030 68.695 2.423 1.00 0.00 ATOM 758 O ASP A 94 13.746 68.542 -0.809 1.00 0.00 ATOM 759 C ASP A 94 13.314 68.960 0.264 1.00 0.00 ATOM 760 N ILE A 95 12.263 68.420 0.871 1.00 0.00 ATOM 761 CA ILE A 95 11.558 67.298 0.265 1.00 0.00 ATOM 762 CB ILE A 95 10.407 66.801 1.162 1.00 0.00 ATOM 763 CG1 ILE A 95 10.963 66.061 2.381 1.00 0.00 ATOM 764 CG2 ILE A 95 9.469 65.901 0.370 1.00 0.00 ATOM 765 CD1 ILE A 95 9.927 65.771 3.444 1.00 0.00 ATOM 766 O ILE A 95 10.999 66.915 -2.040 1.00 0.00 ATOM 767 C ILE A 95 11.017 67.714 -1.100 1.00 0.00 ATOM 768 N GLY A 96 10.584 68.973 -1.200 1.00 0.00 ATOM 769 CA GLY A 96 10.063 69.475 -2.457 1.00 0.00 ATOM 770 O GLY A 96 10.959 68.803 -4.571 1.00 0.00 ATOM 771 C GLY A 96 11.157 69.381 -3.503 1.00 0.00 ATOM 772 N LYS A 97 12.323 69.941 -3.196 1.00 0.00 ATOM 773 CA LYS A 97 13.460 69.905 -4.105 1.00 0.00 ATOM 774 CB LYS A 97 14.522 70.910 -3.653 1.00 0.00 ATOM 775 CG LYS A 97 14.028 72.348 -3.563 1.00 0.00 ATOM 776 CD LYS A 97 13.690 72.904 -4.940 1.00 0.00 ATOM 777 CE LYS A 97 13.378 74.392 -4.873 1.00 0.00 ATOM 778 NZ LYS A 97 13.079 74.958 -6.217 1.00 0.00 ATOM 779 O LYS A 97 13.641 67.712 -3.150 1.00 0.00 ATOM 780 C LYS A 97 13.925 68.452 -4.090 1.00 0.00 ATOM 781 N ASP A 98 14.617 68.026 -5.222 1.00 0.00 ATOM 782 CA ASP A 98 15.066 66.646 -5.351 1.00 0.00 ATOM 783 CB ASP A 98 16.211 66.600 -6.363 1.00 0.00 ATOM 784 CG ASP A 98 17.409 67.421 -5.925 1.00 0.00 ATOM 785 OD1 ASP A 98 17.357 68.006 -4.823 1.00 0.00 ATOM 786 OD2 ASP A 98 18.397 67.480 -6.686 1.00 0.00 ATOM 787 O ASP A 98 16.320 64.647 -4.932 1.00 0.00 ATOM 788 C ASP A 98 15.684 65.581 -4.443 1.00 0.00 ATOM 789 N VAL A 99 15.486 65.702 -3.127 1.00 0.00 ATOM 790 CA VAL A 99 15.996 64.692 -2.194 1.00 0.00 ATOM 791 CB VAL A 99 16.508 65.338 -0.892 1.00 0.00 ATOM 792 CG1 VAL A 99 17.499 66.448 -1.202 1.00 0.00 ATOM 793 CG2 VAL A 99 15.345 65.877 -0.073 1.00 0.00 ATOM 794 O VAL A 99 13.703 64.083 -1.833 1.00 0.00 ATOM 795 C VAL A 99 14.869 63.702 -1.884 1.00 0.00 ATOM 796 N PRO A 100 15.215 62.438 -1.671 1.00 0.00 ATOM 797 CA PRO A 100 14.207 61.434 -1.334 1.00 0.00 ATOM 798 CB PRO A 100 14.894 60.119 -1.647 1.00 0.00 ATOM 799 CG PRO A 100 16.357 60.430 -1.489 1.00 0.00 ATOM 800 CD PRO A 100 16.478 61.782 -2.132 1.00 0.00 ATOM 801 O PRO A 100 14.527 62.290 0.885 1.00 0.00 ATOM 802 C PRO A 100 13.826 61.611 0.128 1.00 0.00 ATOM 803 N VAL A 101 12.721 60.992 0.526 1.00 0.00 ATOM 804 CA VAL A 101 12.243 61.081 1.902 1.00 0.00 ATOM 805 CB VAL A 101 10.983 60.219 2.118 1.00 0.00 ATOM 806 CG1 VAL A 101 10.641 60.135 3.597 1.00 0.00 ATOM 807 CG2 VAL A 101 9.794 60.816 1.383 1.00 0.00 ATOM 808 O VAL A 101 13.564 61.180 3.897 1.00 0.00 ATOM 809 C VAL A 101 13.315 60.577 2.857 1.00 0.00 ATOM 810 N ASN A 102 13.953 59.467 2.485 1.00 0.00 ATOM 811 CA ASN A 102 15.010 58.864 3.294 1.00 0.00 ATOM 812 CB ASN A 102 15.536 57.594 2.625 1.00 0.00 ATOM 813 CG ASN A 102 14.560 56.438 2.721 1.00 0.00 ATOM 814 ND2 ASN A 102 14.730 55.449 1.848 1.00 0.00 ATOM 815 OD1 ASN A 102 13.667 56.435 3.569 1.00 0.00 ATOM 816 O ASN A 102 16.741 59.951 4.566 1.00 0.00 ATOM 817 C ASN A 102 16.183 59.835 3.475 1.00 0.00 ATOM 818 N GLU A 103 16.560 60.538 2.409 1.00 0.00 ATOM 819 CA GLU A 103 17.655 61.499 2.510 1.00 0.00 ATOM 820 CB GLU A 103 18.000 62.066 1.131 1.00 0.00 ATOM 821 CG GLU A 103 19.147 63.066 1.131 1.00 0.00 ATOM 822 CD GLU A 103 20.449 62.406 1.497 1.00 0.00 ATOM 823 OE1 GLU A 103 20.491 61.200 1.533 1.00 0.00 ATOM 824 OE2 GLU A 103 21.428 63.102 1.629 1.00 0.00 ATOM 825 O GLU A 103 18.103 63.073 4.297 1.00 0.00 ATOM 826 C GLU A 103 17.295 62.655 3.432 1.00 0.00 ATOM 827 N ALA A 104 16.095 63.182 3.316 1.00 0.00 ATOM 828 CA ALA A 104 15.632 64.265 4.167 1.00 0.00 ATOM 829 CB ALA A 104 14.270 64.753 3.734 1.00 0.00 ATOM 830 O ALA A 104 16.055 64.593 6.502 1.00 0.00 ATOM 831 C ALA A 104 15.638 63.833 5.627 1.00 0.00 ATOM 832 N LEU A 105 15.167 62.611 5.899 1.00 0.00 ATOM 833 CA LEU A 105 15.137 62.093 7.264 1.00 0.00 ATOM 834 CB LEU A 105 14.456 60.719 7.296 1.00 0.00 ATOM 835 CG LEU A 105 14.540 59.980 8.638 1.00 0.00 ATOM 836 CD1 LEU A 105 13.697 60.697 9.682 1.00 0.00 ATOM 837 CD2 LEU A 105 14.070 58.544 8.458 1.00 0.00 ATOM 838 O LEU A 105 16.835 62.363 8.932 1.00 0.00 ATOM 839 C LEU A 105 16.564 62.013 7.783 1.00 0.00 ATOM 840 N ASN A 106 17.469 61.550 6.947 1.00 0.00 ATOM 841 CA ASN A 106 18.868 61.455 7.354 1.00 0.00 ATOM 842 CB ASN A 106 19.694 60.739 6.300 1.00 0.00 ATOM 843 CG ASN A 106 19.444 59.259 6.237 1.00 0.00 ATOM 844 ND2 ASN A 106 19.868 58.661 5.153 1.00 0.00 ATOM 845 OD1 ASN A 106 18.938 58.652 7.189 1.00 0.00 ATOM 846 O ASN A 106 20.245 62.949 8.600 1.00 0.00 ATOM 847 C ASN A 106 19.459 62.817 7.664 1.00 0.00 ATOM 848 N ASN A 107 19.078 63.831 6.891 1.00 0.00 ATOM 849 CA ASN A 107 19.590 65.174 7.110 1.00 0.00 ATOM 850 CB ASN A 107 19.213 66.100 5.968 1.00 0.00 ATOM 851 CG ASN A 107 19.968 65.829 4.695 1.00 0.00 ATOM 852 ND2 ASN A 107 19.450 66.351 3.611 1.00 0.00 ATOM 853 OD1 ASN A 107 21.041 65.218 4.704 1.00 0.00 ATOM 854 O ASN A 107 19.910 66.311 9.192 1.00 0.00 ATOM 855 C ASN A 107 19.122 65.729 8.444 1.00 0.00 ATOM 856 N LEU A 108 17.856 65.520 8.762 1.00 0.00 ATOM 857 CA LEU A 108 17.337 66.014 10.029 1.00 0.00 ATOM 858 CB LEU A 108 15.801 65.858 10.078 1.00 0.00 ATOM 859 CG LEU A 108 14.882 66.965 9.551 1.00 0.00 ATOM 860 CD1 LEU A 108 14.574 67.938 10.695 1.00 0.00 ATOM 861 CD2 LEU A 108 15.441 67.721 8.393 1.00 0.00 ATOM 862 O LEU A 108 18.329 65.959 12.184 1.00 0.00 ATOM 863 C LEU A 108 18.061 65.339 11.184 1.00 0.00 ATOM 864 N GLU A 109 18.365 64.045 11.038 1.00 0.00 ATOM 865 CA GLU A 109 19.111 63.307 12.042 1.00 0.00 ATOM 866 CB GLU A 109 19.182 61.827 11.666 1.00 0.00 ATOM 867 CG GLU A 109 17.840 61.110 11.671 1.00 0.00 ATOM 868 CD GLU A 109 17.190 61.178 13.025 1.00 0.00 ATOM 869 OE1 GLU A 109 17.838 61.601 13.953 1.00 0.00 ATOM 870 OE2 GLU A 109 16.014 60.915 13.113 1.00 0.00 ATOM 871 O GLU A 109 20.991 64.044 13.342 1.00 0.00 ATOM 872 C GLU A 109 20.497 63.905 12.219 1.00 0.00 ATOM 873 N ALA A 110 21.065 64.258 11.128 1.00 0.00 ATOM 874 CA ALA A 110 22.394 64.845 11.179 1.00 0.00 ATOM 875 CB ALA A 110 22.891 65.156 9.775 1.00 0.00 ATOM 876 O ALA A 110 23.155 66.512 12.709 1.00 0.00 ATOM 877 C ALA A 110 22.284 66.161 11.923 1.00 0.00 ATOM 878 N ILE A 111 21.166 66.816 11.692 1.00 0.00 ATOM 879 CA ILE A 111 20.910 68.077 12.390 1.00 0.00 ATOM 880 CB ILE A 111 19.635 68.815 11.938 1.00 0.00 ATOM 881 CG1 ILE A 111 19.747 69.220 10.466 1.00 0.00 ATOM 882 CG2 ILE A 111 19.389 70.035 12.812 1.00 0.00 ATOM 883 CD1 ILE A 111 20.723 70.348 10.215 1.00 0.00 ATOM 884 O ILE A 111 21.489 68.616 14.664 1.00 0.00 ATOM 885 C ILE A 111 20.824 67.904 13.908 1.00 0.00 ATOM 886 N ILE A 112 20.024 66.908 14.422 1.00 0.00 ATOM 887 CA ILE A 112 19.880 66.662 15.851 1.00 0.00 ATOM 888 CB ILE A 112 18.716 65.664 16.102 1.00 0.00 ATOM 889 CG1 ILE A 112 17.392 66.319 15.699 1.00 0.00 ATOM 890 CG2 ILE A 112 18.679 65.231 17.561 1.00 0.00 ATOM 891 CD1 ILE A 112 16.215 65.366 15.623 1.00 0.00 ATOM 892 O ILE A 112 21.562 66.549 17.547 1.00 0.00 ATOM 893 C ILE A 112 21.222 66.200 16.426 1.00 0.00 ATOM 894 N GLN A 113 21.957 65.423 15.671 1.00 0.00 ATOM 895 CA GLN A 113 23.258 64.947 16.143 1.00 0.00 ATOM 896 CB GLN A 113 23.873 64.005 15.106 1.00 0.00 ATOM 897 CG GLN A 113 25.195 63.389 15.530 1.00 0.00 ATOM 898 CD GLN A 113 25.052 62.482 16.737 1.00 0.00 ATOM 899 OE1 GLN A 113 24.142 61.651 16.800 1.00 0.00 ATOM 900 NE2 GLN A 113 25.949 62.638 17.703 1.00 0.00 ATOM 901 O GLN A 113 24.896 66.151 17.424 1.00 0.00 ATOM 902 C GLN A 113 24.202 66.116 16.410 1.00 0.00 ATOM 903 N SER A 114 24.240 67.067 15.486 1.00 0.00 ATOM 904 CA SER A 114 25.093 68.238 15.640 1.00 0.00 ATOM 905 CB SER A 114 25.007 69.128 14.398 1.00 0.00 ATOM 906 OG SER A 114 25.544 68.472 13.262 1.00 0.00 ATOM 907 O SER A 114 25.519 69.606 17.574 1.00 0.00 ATOM 908 C SER A 114 24.675 69.070 16.854 1.00 0.00 ATOM 909 N VAL A 115 23.349 69.181 17.105 1.00 0.00 ATOM 910 CA VAL A 115 22.842 69.956 18.231 1.00 0.00 ATOM 911 CB VAL A 115 21.302 69.991 18.244 1.00 0.00 ATOM 912 CG1 VAL A 115 20.796 70.630 19.528 1.00 0.00 ATOM 913 CG2 VAL A 115 20.777 70.798 17.066 1.00 0.00 ATOM 914 O VAL A 115 23.878 70.111 20.381 1.00 0.00 ATOM 915 C VAL A 115 23.290 69.396 19.574 1.00 0.00 ATOM 916 N ALA A 116 23.018 68.122 19.828 1.00 0.00 ATOM 917 CA ALA A 116 23.415 67.567 21.115 1.00 0.00 ATOM 918 CB ALA A 116 22.812 66.159 21.285 1.00 0.00 ATOM 919 O ALA A 116 25.460 67.573 22.401 1.00 0.00 ATOM 920 C ALA A 116 24.935 67.585 21.275 1.00 0.00 ATOM 921 N ARG A 117 25.645 67.555 20.149 1.00 0.00 ATOM 922 CA ARG A 117 27.100 67.619 20.203 1.00 0.00 ATOM 923 CB ARG A 117 27.745 67.293 18.864 1.00 0.00 ATOM 924 CG ARG A 117 29.265 67.342 18.855 1.00 0.00 ATOM 925 CD ARG A 117 29.883 66.945 17.564 1.00 0.00 ATOM 926 NE ARG A 117 31.335 67.012 17.546 1.00 0.00 ATOM 927 CZ ARG A 117 32.102 66.716 16.478 1.00 0.00 ATOM 928 NH1 ARG A 117 31.563 66.300 15.351 1.00 0.00 ATOM 929 NH2 ARG A 117 33.413 66.835 16.596 1.00 0.00 ATOM 930 O ARG A 117 28.384 69.024 21.667 1.00 0.00 ATOM 931 C ARG A 117 27.584 68.958 20.734 1.00 0.00 ATOM 932 N ASP A 118 27.029 70.026 20.170 1.00 0.00 ATOM 933 CA ASP A 118 27.376 71.387 20.554 1.00 0.00 ATOM 934 CB ASP A 118 27.013 72.363 19.432 1.00 0.00 ATOM 935 CG ASP A 118 27.823 72.128 18.173 1.00 0.00 ATOM 936 OD1 ASP A 118 29.068 72.086 18.264 1.00 0.00 ATOM 937 OD2 ASP A 118 27.213 71.989 17.092 1.00 0.00 ATOM 938 O ASP A 118 27.169 72.527 22.651 1.00 0.00 ATOM 939 C ASP A 118 26.636 71.800 21.819 1.00 0.00 ATOM 940 N TYR A 119 25.409 71.311 21.962 1.00 0.00 ATOM 941 CA TYR A 119 24.563 71.634 23.112 1.00 0.00 ATOM 942 CB TYR A 119 23.414 72.550 22.683 1.00 0.00 ATOM 943 CG TYR A 119 23.820 73.992 22.482 1.00 0.00 ATOM 944 CD1 TYR A 119 25.015 74.475 23.000 1.00 0.00 ATOM 945 CD2 TYR A 119 23.010 74.867 21.775 1.00 0.00 ATOM 946 CE1 TYR A 119 25.390 75.792 22.819 1.00 0.00 ATOM 947 CE2 TYR A 119 23.378 76.187 21.588 1.00 0.00 ATOM 948 CZ TYR A 119 24.568 76.646 22.112 1.00 0.00 ATOM 949 OH TYR A 119 24.939 77.958 21.928 1.00 0.00 ATOM 950 O TYR A 119 22.827 70.103 23.727 1.00 0.00 ATOM 951 C TYR A 119 24.032 70.353 23.739 1.00 0.00 ATOM 952 N PRO A 120 24.920 69.529 24.309 1.00 0.00 ATOM 953 CA PRO A 120 24.511 68.266 24.932 1.00 0.00 ATOM 954 CB PRO A 120 25.825 67.651 25.420 1.00 0.00 ATOM 955 CG PRO A 120 26.746 68.814 25.577 1.00 0.00 ATOM 956 CD PRO A 120 26.389 69.783 24.484 1.00 0.00 ATOM 957 O PRO A 120 22.890 67.401 26.466 1.00 0.00 ATOM 958 C PRO A 120 23.530 68.381 26.094 1.00 0.00 ATOM 959 N LEU A 121 23.417 69.575 26.670 1.00 0.00 ATOM 960 CA LEU A 121 22.525 69.800 27.804 1.00 0.00 ATOM 961 CB LEU A 121 23.117 70.868 28.732 1.00 0.00 ATOM 962 CG LEU A 121 24.464 70.504 29.370 1.00 0.00 ATOM 963 CD1 LEU A 121 24.991 71.678 30.183 1.00 0.00 ATOM 964 CD2 LEU A 121 24.295 69.273 30.249 1.00 0.00 ATOM 965 O LEU A 121 20.205 70.261 28.195 1.00 0.00 ATOM 966 C LEU A 121 21.122 70.208 27.379 1.00 0.00 ATOM 967 N THR A 122 20.959 70.503 26.096 1.00 0.00 ATOM 968 CA THR A 122 19.672 70.943 25.577 1.00 0.00 ATOM 969 CB THR A 122 19.841 71.863 24.353 1.00 0.00 ATOM 970 CG2 THR A 122 18.484 72.272 23.803 1.00 0.00 ATOM 971 OG1 THR A 122 20.573 73.036 24.733 1.00 0.00 ATOM 972 O THR A 122 19.199 68.811 24.593 1.00 0.00 ATOM 973 C THR A 122 18.762 69.789 25.178 1.00 0.00 ATOM 974 N GLU A 123 17.464 69.932 25.479 1.00 0.00 ATOM 975 CA GLU A 123 16.483 68.948 25.096 1.00 0.00 ATOM 976 CB GLU A 123 15.332 68.953 26.039 1.00 0.00 ATOM 977 CG GLU A 123 14.329 67.862 25.704 1.00 0.00 ATOM 978 CD GLU A 123 13.050 67.984 26.542 1.00 0.00 ATOM 979 OE1 GLU A 123 13.059 68.726 27.556 1.00 0.00 ATOM 980 OE2 GLU A 123 12.044 67.341 26.188 1.00 0.00 ATOM 981 O GLU A 123 15.621 70.627 23.596 1.00 0.00 ATOM 982 C GLU A 123 15.971 69.451 23.738 1.00 0.00 ATOM 983 N ILE A 124 15.878 68.556 22.835 1.00 0.00 ATOM 984 CA ILE A 124 15.420 68.923 21.491 1.00 0.00 ATOM 985 CB ILE A 124 16.237 68.181 20.424 1.00 0.00 ATOM 986 CG1 ILE A 124 17.696 68.652 20.480 1.00 0.00 ATOM 987 CG2 ILE A 124 15.640 68.428 19.043 1.00 0.00 ATOM 988 CD1 ILE A 124 18.610 67.951 19.495 1.00 0.00 ATOM 989 O ILE A 124 13.593 67.358 21.493 1.00 0.00 ATOM 990 C ILE A 124 13.991 68.486 21.187 1.00 0.00 ATOM 991 N LYS A 125 13.249 69.364 20.525 1.00 0.00 ATOM 992 CA LYS A 125 11.886 69.066 20.128 1.00 0.00 ATOM 993 CB LYS A 125 10.905 69.994 20.850 1.00 0.00 ATOM 994 CG LYS A 125 10.792 69.746 22.348 1.00 0.00 ATOM 995 CD LYS A 125 9.570 70.440 22.932 1.00 0.00 ATOM 996 CE LYS A 125 9.514 70.283 24.444 1.00 0.00 ATOM 997 NZ LYS A 125 9.318 68.864 24.848 1.00 0.00 ATOM 998 O LYS A 125 11.959 70.322 18.089 1.00 0.00 ATOM 999 C LYS A 125 11.799 69.219 18.618 1.00 0.00 ATOM 1000 N LEU A 126 11.535 68.120 17.924 1.00 0.00 ATOM 1001 CA LEU A 126 11.415 68.166 16.476 1.00 0.00 ATOM 1002 CB LEU A 126 12.131 66.959 15.854 1.00 0.00 ATOM 1003 CG LEU A 126 12.669 67.178 14.435 1.00 0.00 ATOM 1004 CD1 LEU A 126 12.823 65.841 13.721 1.00 0.00 ATOM 1005 CD2 LEU A 126 11.725 68.092 13.668 1.00 0.00 ATOM 1006 O LEU A 126 9.236 67.222 16.362 1.00 0.00 ATOM 1007 C LEU A 126 9.946 68.181 16.086 1.00 0.00 ATOM 1008 N LEU A 127 9.497 69.212 15.420 1.00 0.00 ATOM 1009 CA LEU A 127 8.105 69.337 15.014 1.00 0.00 ATOM 1010 CB LEU A 127 7.731 70.795 14.744 1.00 0.00 ATOM 1011 CG LEU A 127 6.273 71.060 14.360 1.00 0.00 ATOM 1012 CD1 LEU A 127 5.344 70.773 15.530 1.00 0.00 ATOM 1013 CD2 LEU A 127 6.082 72.513 13.948 1.00 0.00 ATOM 1014 O LEU A 127 8.649 68.570 12.789 1.00 0.00 ATOM 1015 C LEU A 127 7.847 68.540 13.731 1.00 0.00 ATOM 1016 N SER A 128 6.729 67.820 13.704 1.00 0.00 ATOM 1017 CA SER A 128 6.397 67.031 12.533 1.00 0.00 ATOM 1018 CB SER A 128 5.061 66.330 12.726 1.00 0.00 ATOM 1019 OG SER A 128 4.012 67.241 12.996 1.00 0.00 ATOM 1020 O SER A 128 5.622 69.046 11.528 1.00 0.00 ATOM 1021 C SER A 128 6.102 67.927 11.346 1.00 0.00 ATOM 1022 N ILE A 129 6.372 67.442 10.139 1.00 0.00 ATOM 1023 CA ILE A 129 6.108 68.229 8.931 1.00 0.00 ATOM 1024 CB ILE A 129 6.827 67.646 7.703 1.00 0.00 ATOM 1025 CG1 ILE A 129 8.345 67.740 7.878 1.00 0.00 ATOM 1026 CG2 ILE A 129 6.389 68.366 6.437 1.00 0.00 ATOM 1027 CD1 ILE A 129 9.130 66.973 6.836 1.00 0.00 ATOM 1028 O ILE A 129 3.953 67.210 8.822 1.00 0.00 ATOM 1029 C ILE A 129 4.610 68.246 8.719 1.00 0.00 ATOM 1030 N LEU A 130 4.068 69.418 8.412 1.00 0.00 ATOM 1031 CA LEU A 130 2.634 69.546 8.210 1.00 0.00 ATOM 1032 CB LEU A 130 2.170 70.958 8.588 1.00 0.00 ATOM 1033 CG LEU A 130 2.405 71.354 10.053 1.00 0.00 ATOM 1034 CD1 LEU A 130 1.987 72.802 10.276 1.00 0.00 ATOM 1035 CD2 LEU A 130 1.624 70.420 10.964 1.00 0.00 ATOM 1036 O LEU A 130 2.890 69.442 5.810 1.00 0.00 ATOM 1037 C LEU A 130 2.148 69.263 6.792 1.00 0.00 ATOM 1038 N PRO A 131 0.890 68.805 6.674 1.00 0.00 ATOM 1039 CA PRO A 131 0.306 68.516 5.372 1.00 0.00 ATOM 1040 CB PRO A 131 -1.084 67.965 5.703 1.00 0.00 ATOM 1041 CG PRO A 131 -1.413 68.557 7.031 1.00 0.00 ATOM 1042 CD PRO A 131 -0.114 68.659 7.778 1.00 0.00 ATOM 1043 O PRO A 131 -0.226 70.814 5.223 1.00 0.00 ATOM 1044 C PRO A 131 0.147 69.827 4.624 1.00 0.00 ATOM 1045 N VAL A 132 0.392 69.804 3.325 1.00 0.00 ATOM 1046 CA VAL A 132 0.244 71.002 2.499 1.00 0.00 ATOM 1047 CB VAL A 132 1.625 71.407 1.929 1.00 0.00 ATOM 1048 CG1 VAL A 132 2.246 70.285 1.085 1.00 0.00 ATOM 1049 CG2 VAL A 132 1.560 72.714 1.179 1.00 0.00 ATOM 1050 O VAL A 132 -0.749 69.557 0.877 1.00 0.00 ATOM 1051 C VAL A 132 -0.536 70.716 1.227 1.00 0.00 ATOM 1052 N ASN A 133 -0.993 71.832 0.485 1.00 0.00 ATOM 1053 CA ASN A 133 -1.752 71.678 -0.742 1.00 0.00 ATOM 1054 CB ASN A 133 -1.318 70.441 -1.507 1.00 0.00 ATOM 1055 CG ASN A 133 0.129 70.461 -1.918 1.00 0.00 ATOM 1056 ND2 ASN A 133 0.730 69.298 -1.927 1.00 0.00 ATOM 1057 OD1 ASN A 133 0.674 71.505 -2.294 1.00 0.00 ATOM 1058 O ASN A 133 -3.679 71.005 0.511 1.00 0.00 ATOM 1059 C ASN A 133 -3.240 71.632 -0.459 1.00 0.00 ATOM 1060 N GLU A 134 -4.022 72.309 -1.282 1.00 0.00 ATOM 1061 CA GLU A 134 -5.466 72.341 -1.072 1.00 0.00 ATOM 1062 CB GLU A 134 -6.137 73.261 -2.095 1.00 0.00 ATOM 1063 CG GLU A 134 -7.642 73.407 -1.916 1.00 0.00 ATOM 1064 CD GLU A 134 -8.220 74.365 -2.922 1.00 0.00 ATOM 1065 OE1 GLU A 134 -7.471 74.899 -3.703 1.00 0.00 ATOM 1066 OE2 GLU A 134 -9.422 74.479 -2.980 1.00 0.00 ATOM 1067 O GLU A 134 -6.892 70.556 -0.313 1.00 0.00 ATOM 1068 C GLU A 134 -6.064 70.936 -1.144 1.00 0.00 ATOM 1069 N ARG A 135 -5.628 70.179 -2.092 1.00 0.00 ATOM 1070 CA ARG A 135 -6.195 68.858 -2.368 1.00 0.00 ATOM 1071 CB ARG A 135 -6.871 68.808 -3.730 1.00 0.00 ATOM 1072 CG ARG A 135 -8.077 69.722 -3.881 1.00 0.00 ATOM 1073 CD ARG A 135 -8.681 69.721 -5.239 1.00 0.00 ATOM 1074 NE ARG A 135 -9.847 70.575 -5.380 1.00 0.00 ATOM 1075 CZ ARG A 135 -10.502 70.792 -6.537 1.00 0.00 ATOM 1076 NH1 ARG A 135 -10.091 70.247 -7.660 1.00 0.00 ATOM 1077 NH2 ARG A 135 -11.558 71.585 -6.518 1.00 0.00 ATOM 1078 O ARG A 135 -3.944 68.118 -1.952 1.00 0.00 ATOM 1079 C ARG A 135 -5.112 67.796 -2.166 1.00 0.00 ATOM 1080 N GLU A 136 -5.496 66.589 -2.207 1.00 0.00 ATOM 1081 CA GLU A 136 -4.540 65.506 -2.006 1.00 0.00 ATOM 1082 CB GLU A 136 -5.238 64.147 -2.129 1.00 0.00 ATOM 1083 CG GLU A 136 -4.323 62.950 -1.917 1.00 0.00 ATOM 1084 CD GLU A 136 -5.089 61.659 -1.998 1.00 0.00 ATOM 1085 OE1 GLU A 136 -6.279 61.707 -2.187 1.00 0.00 ATOM 1086 OE2 GLU A 136 -4.467 60.622 -1.983 1.00 0.00 ATOM 1087 O GLU A 136 -2.225 65.377 -2.612 1.00 0.00 ATOM 1088 C GLU A 136 -3.376 65.553 -3.003 1.00 0.00 ATOM 1089 N GLU A 137 -3.667 65.835 -4.278 1.00 0.00 ATOM 1090 CA GLU A 137 -2.644 65.891 -5.309 1.00 0.00 ATOM 1091 CB GLU A 137 -2.840 64.760 -6.321 1.00 0.00 ATOM 1092 CG GLU A 137 -2.674 63.368 -5.734 1.00 0.00 ATOM 1093 CD GLU A 137 -2.863 62.274 -6.767 1.00 0.00 ATOM 1094 OE1 GLU A 137 -3.177 62.605 -7.931 1.00 0.00 ATOM 1095 OE2 GLU A 137 -2.700 61.088 -6.414 1.00 0.00 ATOM 1096 O GLU A 137 -3.802 67.645 -6.461 1.00 0.00 ATOM 1097 C GLU A 137 -2.714 67.181 -6.119 1.00 0.00 ATOM 1098 N TYR A 138 -1.566 67.721 -6.428 1.00 0.00 ATOM 1099 CA TYR A 138 -1.498 68.969 -7.188 1.00 0.00 ATOM 1100 CB TYR A 138 -0.751 69.881 -6.422 1.00 0.00 ATOM 1101 CG TYR A 138 -1.859 70.874 -6.232 1.00 0.00 ATOM 1102 CD1 TYR A 138 -2.145 71.823 -7.222 1.00 0.00 ATOM 1103 CD2 TYR A 138 -2.596 70.893 -5.051 1.00 0.00 ATOM 1104 CE1 TYR A 138 -3.163 72.761 -7.072 1.00 0.00 ATOM 1105 CE2 TYR A 138 -3.600 71.853 -4.883 1.00 0.00 ATOM 1106 CZ TYR A 138 -3.936 72.729 -5.910 1.00 0.00 ATOM 1107 OH TYR A 138 -4.962 73.614 -5.767 1.00 0.00 ATOM 1108 O TYR A 138 0.524 68.108 -8.120 1.00 0.00 ATOM 1109 C TYR A 138 -0.436 68.859 -8.263 1.00 0.00 ATOM 1110 N GLN A 139 -0.649 69.605 -9.347 1.00 0.00 ATOM 1111 CA GLN A 139 0.310 69.627 -10.450 1.00 0.00 ATOM 1112 CB GLN A 139 -0.255 70.414 -11.636 1.00 0.00 ATOM 1113 CG GLN A 139 -1.377 69.705 -12.376 1.00 0.00 ATOM 1114 CD GLN A 139 -1.989 70.568 -13.465 1.00 0.00 ATOM 1115 OE1 GLN A 139 -1.636 71.742 -13.617 1.00 0.00 ATOM 1116 NE2 GLN A 139 -2.915 69.993 -14.224 1.00 0.00 ATOM 1117 O GLN A 139 2.691 69.737 -10.146 1.00 0.00 ATOM 1118 C GLN A 139 1.600 70.257 -9.922 1.00 0.00 ATOM 1119 N GLN A 140 1.461 71.372 -9.209 1.00 0.00 ATOM 1120 CA GLN A 140 2.598 72.076 -8.631 1.00 0.00 ATOM 1121 CB GLN A 140 2.179 73.343 -7.923 1.00 0.00 ATOM 1122 CG GLN A 140 3.334 74.101 -7.288 1.00 0.00 ATOM 1123 CD GLN A 140 4.338 74.597 -8.314 1.00 0.00 ATOM 1124 OE1 GLN A 140 4.100 75.591 -9.005 1.00 0.00 ATOM 1125 NE2 GLN A 140 5.468 73.904 -8.423 1.00 0.00 ATOM 1126 O GLN A 140 4.469 71.002 -7.567 1.00 0.00 ATOM 1127 C GLN A 140 3.252 71.192 -7.578 1.00 0.00 ATOM 1128 N ALA A 141 2.458 70.621 -6.688 1.00 0.00 ATOM 1129 CA ALA A 141 3.043 69.773 -5.645 1.00 0.00 ATOM 1130 CB ALA A 141 1.956 69.433 -4.638 1.00 0.00 ATOM 1131 O ALA A 141 4.729 68.083 -5.807 1.00 0.00 ATOM 1132 C ALA A 141 3.652 68.501 -6.229 1.00 0.00 ATOM 1133 N VAL A 142 2.977 67.888 -7.199 1.00 0.00 ATOM 1134 CA VAL A 142 3.520 66.677 -7.806 1.00 0.00 ATOM 1135 CB VAL A 142 2.456 66.033 -8.670 1.00 0.00 ATOM 1136 CG1 VAL A 142 3.059 64.858 -9.476 1.00 0.00 ATOM 1137 CG2 VAL A 142 1.318 65.477 -7.823 1.00 0.00 ATOM 1138 O VAL A 142 5.749 66.242 -8.516 1.00 0.00 ATOM 1139 C VAL A 142 4.790 67.026 -8.563 1.00 0.00 ATOM 1140 N TYR A 143 4.851 68.164 -9.231 1.00 0.00 ATOM 1141 CA TYR A 143 6.097 68.547 -9.914 1.00 0.00 ATOM 1142 CB TYR A 143 5.923 69.882 -10.639 1.00 0.00 ATOM 1143 CG TYR A 143 7.174 70.370 -11.334 1.00 0.00 ATOM 1144 CD1 TYR A 143 7.552 69.854 -12.566 1.00 0.00 ATOM 1145 CD2 TYR A 143 7.974 71.347 -10.753 1.00 0.00 ATOM 1146 CE1 TYR A 143 8.694 70.295 -13.207 1.00 0.00 ATOM 1147 CE2 TYR A 143 9.120 71.799 -11.380 1.00 0.00 ATOM 1148 CZ TYR A 143 9.476 71.264 -12.616 1.00 0.00 ATOM 1149 OH TYR A 143 10.613 71.702 -13.254 1.00 0.00 ATOM 1150 O TYR A 143 8.326 68.145 -9.084 1.00 0.00 ATOM 1151 C TYR A 143 7.222 68.678 -8.880 1.00 0.00 ATOM 1152 N ILE A 144 6.986 69.431 -7.850 1.00 0.00 ATOM 1153 CA ILE A 144 8.035 69.642 -6.833 1.00 0.00 ATOM 1154 CB ILE A 144 7.727 70.848 -5.929 1.00 0.00 ATOM 1155 CG1 ILE A 144 7.454 72.094 -6.776 1.00 0.00 ATOM 1156 CG2 ILE A 144 8.876 71.098 -4.964 1.00 0.00 ATOM 1157 CD1 ILE A 144 8.702 72.724 -7.354 1.00 0.00 ATOM 1158 O ILE A 144 9.071 67.615 -6.093 1.00 0.00 ATOM 1159 C ILE A 144 8.066 68.333 -6.074 1.00 0.00 ATOM 1160 N ARG A 145 7.035 67.848 -5.270 1.00 0.00 ATOM 1161 CA ARG A 145 7.014 66.613 -4.496 1.00 0.00 ATOM 1162 CB ARG A 145 8.437 65.969 -4.485 1.00 0.00 ATOM 1163 CG ARG A 145 8.905 65.486 -5.848 1.00 0.00 ATOM 1164 CD ARG A 145 10.323 64.946 -5.682 1.00 0.00 ATOM 1165 NE ARG A 145 10.811 64.548 -6.998 1.00 0.00 ATOM 1166 CZ ARG A 145 12.082 64.343 -7.292 1.00 0.00 ATOM 1167 NH1 ARG A 145 12.994 64.491 -6.340 1.00 0.00 ATOM 1168 NH2 ARG A 145 12.389 64.001 -8.528 1.00 0.00 ATOM 1169 O ARG A 145 6.957 67.292 -2.207 1.00 0.00 ATOM 1170 C ARG A 145 6.392 66.685 -3.118 1.00 0.00 ATOM 1171 N SER A 146 5.234 66.063 -2.961 1.00 0.00 ATOM 1172 CA SER A 146 4.558 66.065 -1.680 1.00 0.00 ATOM 1173 CB SER A 146 3.908 67.408 -1.404 1.00 0.00 ATOM 1174 OG SER A 146 2.726 67.580 -2.135 1.00 0.00 ATOM 1175 O SER A 146 2.740 64.439 -1.977 1.00 0.00 ATOM 1176 C SER A 146 3.418 65.154 -1.180 1.00 0.00 ATOM 1177 N ASN A 147 3.102 65.200 0.219 1.00 0.00 ATOM 1178 CA ASN A 147 2.046 64.373 0.832 1.00 0.00 ATOM 1179 CB ASN A 147 0.816 64.257 -0.051 1.00 0.00 ATOM 1180 CG ASN A 147 0.114 65.566 -0.285 1.00 0.00 ATOM 1181 ND2 ASN A 147 -0.900 65.814 0.503 1.00 0.00 ATOM 1182 OD1 ASN A 147 0.530 66.376 -1.122 1.00 0.00 ATOM 1183 O ASN A 147 2.850 62.701 2.355 1.00 0.00 ATOM 1184 C ASN A 147 2.598 62.991 1.185 1.00 0.00 ATOM 1185 N GLU A 148 2.738 62.128 0.177 1.00 0.00 ATOM 1186 CA GLU A 148 3.283 60.793 0.395 1.00 0.00 ATOM 1187 CB GLU A 148 3.487 60.075 -0.940 1.00 0.00 ATOM 1188 CG GLU A 148 4.035 58.664 -0.810 1.00 0.00 ATOM 1189 CD GLU A 148 4.184 57.967 -2.148 1.00 0.00 ATOM 1190 OE1 GLU A 148 3.824 58.579 -3.177 1.00 0.00 ATOM 1191 OE2 GLU A 148 4.660 56.814 -2.169 1.00 0.00 ATOM 1192 O GLU A 148 4.948 60.242 2.029 1.00 0.00 ATOM 1193 C GLU A 148 4.633 60.928 1.064 1.00 0.00 ATOM 1194 N LYS A 149 5.414 61.868 0.545 1.00 0.00 ATOM 1195 CA LYS A 149 6.743 62.126 1.058 1.00 0.00 ATOM 1196 CB LYS A 149 7.470 63.145 0.178 1.00 0.00 ATOM 1197 CG LYS A 149 8.026 62.571 -1.118 1.00 0.00 ATOM 1198 CD LYS A 149 6.912 62.117 -2.049 1.00 0.00 ATOM 1199 CE LYS A 149 7.468 61.508 -3.326 1.00 0.00 ATOM 1200 NZ LYS A 149 6.406 60.868 -4.147 1.00 0.00 ATOM 1201 O LYS A 149 7.559 62.131 3.317 1.00 0.00 ATOM 1202 C LYS A 149 6.792 62.636 2.495 1.00 0.00 ATOM 1203 N ILE A 150 5.987 63.652 2.829 1.00 0.00 ATOM 1204 CA ILE A 150 5.985 64.204 4.174 1.00 0.00 ATOM 1205 CB ILE A 150 5.062 65.501 4.154 1.00 0.00 ATOM 1206 CG1 ILE A 150 5.787 66.657 3.461 1.00 0.00 ATOM 1207 CG2 ILE A 150 4.645 65.890 5.563 1.00 0.00 ATOM 1208 CD1 ILE A 150 4.925 67.887 3.245 1.00 0.00 ATOM 1209 O ILE A 150 6.065 63.202 6.366 1.00 0.00 ATOM 1210 C ILE A 150 5.501 63.234 5.266 1.00 0.00 ATOM 1211 N GLN A 151 4.464 62.466 4.981 1.00 0.00 ATOM 1212 CA GLN A 151 3.946 61.479 5.936 1.00 0.00 ATOM 1213 CB GLN A 151 2.714 60.774 5.362 1.00 0.00 ATOM 1214 CG GLN A 151 1.471 61.646 5.302 1.00 0.00 ATOM 1215 CD GLN A 151 0.305 60.945 4.628 1.00 0.00 ATOM 1216 OE1 GLN A 151 0.435 59.818 4.145 1.00 0.00 ATOM 1217 NE2 GLN A 151 -0.843 61.613 4.591 1.00 0.00 ATOM 1218 O GLN A 151 5.113 60.007 7.465 1.00 0.00 ATOM 1219 C GLN A 151 4.983 60.397 6.288 1.00 0.00 ATOM 1220 N ASN A 152 5.651 59.913 5.250 1.00 0.00 ATOM 1221 CA ASN A 152 6.650 58.830 5.441 1.00 0.00 ATOM 1222 CB ASN A 152 7.205 58.367 4.107 1.00 0.00 ATOM 1223 CG ASN A 152 6.335 57.361 3.406 1.00 0.00 ATOM 1224 ND2 ASN A 152 6.604 57.169 2.138 1.00 0.00 ATOM 1225 OD1 ASN A 152 5.483 56.710 4.022 1.00 0.00 ATOM 1226 O ASN A 152 8.292 58.625 7.162 1.00 0.00 ATOM 1227 C ASN A 152 7.758 59.358 6.334 1.00 0.00 ATOM 1228 N TRP A 153 8.109 60.625 6.157 1.00 0.00 ATOM 1229 CA TRP A 153 9.143 61.224 6.983 1.00 0.00 ATOM 1230 CB TRP A 153 8.899 62.891 6.799 1.00 0.00 ATOM 1231 CG TRP A 153 10.059 63.811 7.074 1.00 0.00 ATOM 1232 CD1 TRP A 153 10.990 64.256 6.172 1.00 0.00 ATOM 1233 CD2 TRP A 153 10.452 64.344 8.347 1.00 0.00 ATOM 1234 CE2 TRP A 153 11.601 65.134 8.136 1.00 0.00 ATOM 1235 CE3 TRP A 153 9.934 64.246 9.650 1.00 0.00 ATOM 1236 NE1 TRP A 153 11.905 65.059 6.806 1.00 0.00 ATOM 1237 CZ2 TRP A 153 12.250 65.811 9.170 1.00 0.00 ATOM 1238 CZ3 TRP A 153 10.570 64.929 10.672 1.00 0.00 ATOM 1239 CH2 TRP A 153 11.718 65.704 10.425 1.00 0.00 ATOM 1240 O TRP A 153 9.518 60.944 9.330 1.00 0.00 ATOM 1241 C TRP A 153 8.720 61.233 8.450 1.00 0.00 ATOM 1242 N ASN A 154 7.458 61.561 8.720 1.00 0.00 ATOM 1243 CA ASN A 154 7.009 61.595 10.104 1.00 0.00 ATOM 1244 CB ASN A 154 5.622 62.201 10.227 1.00 0.00 ATOM 1245 CG ASN A 154 5.569 63.664 9.875 1.00 0.00 ATOM 1246 ND2 ASN A 154 4.782 63.975 8.876 1.00 0.00 ATOM 1247 OD1 ASN A 154 6.174 64.508 10.546 1.00 0.00 ATOM 1248 O ASN A 154 7.420 60.004 11.849 1.00 0.00 ATOM 1249 C ASN A 154 6.999 60.196 10.708 1.00 0.00 ATOM 1250 N GLN A 155 6.531 59.194 9.951 1.00 0.00 ATOM 1251 CA GLN A 155 6.511 57.826 10.452 1.00 0.00 ATOM 1252 CB GLN A 155 5.944 56.867 9.463 1.00 0.00 ATOM 1253 CG GLN A 155 5.928 55.412 9.894 1.00 0.00 ATOM 1254 CD GLN A 155 5.088 55.182 11.110 1.00 0.00 ATOM 1255 OE1 GLN A 155 4.053 55.822 11.275 1.00 0.00 ATOM 1256 NE2 GLN A 155 5.518 54.269 11.974 1.00 0.00 ATOM 1257 O GLN A 155 8.199 56.764 11.784 1.00 0.00 ATOM 1258 C GLN A 155 7.935 57.346 10.733 1.00 0.00 ATOM 1259 N ALA A 156 8.862 57.655 9.833 1.00 0.00 ATOM 1260 CA ALA A 156 10.249 57.255 10.014 1.00 0.00 ATOM 1261 CB ALA A 156 11.029 57.582 8.718 1.00 0.00 ATOM 1262 O ALA A 156 11.589 57.347 12.009 1.00 0.00 ATOM 1263 C ALA A 156 10.899 57.968 11.206 1.00 0.00 ATOM 1264 N TYR A 157 10.681 59.283 11.430 1.00 0.00 ATOM 1265 CA TYR A 157 11.284 59.996 12.551 1.00 0.00 ATOM 1266 CB TYR A 157 11.043 61.535 12.440 1.00 0.00 ATOM 1267 CG TYR A 157 11.727 62.262 13.553 1.00 0.00 ATOM 1268 CD1 TYR A 157 13.108 62.418 13.511 1.00 0.00 ATOM 1269 CD2 TYR A 157 11.059 62.745 14.662 1.00 0.00 ATOM 1270 CE1 TYR A 157 13.802 63.008 14.568 1.00 0.00 ATOM 1271 CE2 TYR A 157 11.731 63.346 15.713 1.00 0.00 ATOM 1272 CZ TYR A 157 13.099 63.431 15.666 1.00 0.00 ATOM 1273 OH TYR A 157 13.741 63.980 16.770 1.00 0.00 ATOM 1274 O TYR A 157 11.460 59.421 14.863 1.00 0.00 ATOM 1275 C TYR A 157 10.744 59.483 13.872 1.00 0.00 ATOM 1276 N GLN A 158 9.479 59.134 13.880 1.00 0.00 ATOM 1277 CA GLN A 158 8.848 58.590 15.062 1.00 0.00 ATOM 1278 CB GLN A 158 7.385 58.240 14.777 1.00 0.00 ATOM 1279 CG GLN A 158 6.616 57.743 15.988 1.00 0.00 ATOM 1280 CD GLN A 158 5.153 57.493 15.682 1.00 0.00 ATOM 1281 OE1 GLN A 158 4.705 57.658 14.544 1.00 0.00 ATOM 1282 NE2 GLN A 158 4.396 57.096 16.697 1.00 0.00 ATOM 1283 O GLN A 158 9.944 57.258 16.733 1.00 0.00 ATOM 1284 C GLN A 158 9.670 57.395 15.537 1.00 0.00 ATOM 1285 N GLU A 159 10.109 56.568 14.594 1.00 0.00 ATOM 1286 CA GLU A 159 10.899 55.385 14.918 1.00 0.00 ATOM 1287 CB GLU A 159 10.898 54.425 13.728 1.00 0.00 ATOM 1288 CG GLU A 159 9.522 53.885 13.368 1.00 0.00 ATOM 1289 CD GLU A 159 9.552 52.974 12.157 1.00 0.00 ATOM 1290 OE1 GLU A 159 10.643 52.793 11.575 1.00 0.00 ATOM 1291 OE2 GLU A 159 8.486 52.442 11.787 1.00 0.00 ATOM 1292 O GLU A 159 12.873 55.174 16.244 1.00 0.00 ATOM 1293 C GLU A 159 12.340 55.718 15.285 1.00 0.00 ATOM 1294 N LEU A 160 12.978 56.621 14.558 1.00 0.00 ATOM 1295 CA LEU A 160 14.368 56.980 14.841 1.00 0.00 ATOM 1296 CB LEU A 160 14.983 57.701 13.636 1.00 0.00 ATOM 1297 CG LEU A 160 15.156 56.838 12.378 1.00 0.00 ATOM 1298 CD1 LEU A 160 15.630 57.698 11.214 1.00 0.00 ATOM 1299 CD2 LEU A 160 16.150 55.721 12.661 1.00 0.00 ATOM 1300 O LEU A 160 15.503 57.649 16.849 1.00 0.00 ATOM 1301 C LEU A 160 14.569 57.854 16.081 1.00 0.00 ATOM 1302 N ALA A 161 13.671 58.803 16.283 1.00 0.00 ATOM 1303 CA ALA A 161 13.776 59.735 17.402 1.00 0.00 ATOM 1304 CB ALA A 161 12.711 60.816 17.296 1.00 0.00 ATOM 1305 O ALA A 161 14.241 59.819 19.749 1.00 0.00 ATOM 1306 C ALA A 161 13.673 59.215 18.841 1.00 0.00 ATOM 1307 N SER A 162 12.932 58.110 19.081 1.00 0.00 ATOM 1308 CA SER A 162 12.889 57.668 20.480 1.00 0.00 ATOM 1309 CB SER A 162 12.002 56.431 20.623 1.00 0.00 ATOM 1310 OG SER A 162 12.560 55.322 19.938 1.00 0.00 ATOM 1311 O SER A 162 14.681 57.418 22.027 1.00 0.00 ATOM 1312 C SER A 162 14.324 57.411 20.845 1.00 0.00 ATOM 1313 N ALA A 163 15.256 57.123 19.716 1.00 0.00 ATOM 1314 CA ALA A 163 16.653 56.847 19.873 1.00 0.00 ATOM 1315 CB ALA A 163 17.087 56.190 18.572 1.00 0.00 ATOM 1316 O ALA A 163 16.641 59.197 20.313 1.00 0.00 ATOM 1317 C ALA A 163 17.322 58.203 20.067 1.00 0.00 ATOM 1318 N TYR A 164 18.781 58.331 19.913 1.00 0.00 ATOM 1319 CA TYR A 164 19.471 59.609 20.092 1.00 0.00 ATOM 1320 CB TYR A 164 18.893 60.715 19.171 1.00 0.00 ATOM 1321 CG TYR A 164 19.170 60.286 17.750 1.00 0.00 ATOM 1322 CD1 TYR A 164 18.281 59.437 17.085 1.00 0.00 ATOM 1323 CD2 TYR A 164 20.317 60.689 17.092 1.00 0.00 ATOM 1324 CE1 TYR A 164 18.492 59.007 15.793 1.00 0.00 ATOM 1325 CE2 TYR A 164 20.543 60.266 15.790 1.00 0.00 ATOM 1326 CZ TYR A 164 19.642 59.449 15.146 1.00 0.00 ATOM 1327 OH TYR A 164 19.935 59.019 13.877 1.00 0.00 ATOM 1328 O TYR A 164 18.308 59.657 22.191 1.00 0.00 ATOM 1329 C TYR A 164 19.204 60.141 21.501 1.00 0.00 ATOM 1330 N MET A 165 19.965 61.152 21.911 1.00 0.00 ATOM 1331 CA MET A 165 19.836 61.722 23.251 1.00 0.00 ATOM 1332 CB MET A 165 21.201 62.146 23.795 1.00 0.00 ATOM 1333 CG MET A 165 22.198 61.008 23.930 1.00 0.00 ATOM 1334 SD MET A 165 21.641 59.724 25.068 1.00 0.00 ATOM 1335 CE MET A 165 21.729 60.596 26.631 1.00 0.00 ATOM 1336 O MET A 165 19.084 63.908 22.590 1.00 0.00 ATOM 1337 C MET A 165 18.980 62.978 23.388 1.00 0.00 ATOM 1338 N GLN A 166 18.172 63.004 24.445 1.00 0.00 ATOM 1339 CA GLN A 166 17.305 64.133 24.777 1.00 0.00 ATOM 1340 CB GLN A 166 17.668 64.666 26.178 1.00 0.00 ATOM 1341 CG GLN A 166 17.210 63.745 27.314 1.00 0.00 ATOM 1342 CD GLN A 166 17.786 64.123 28.668 1.00 0.00 ATOM 1343 OE1 GLN A 166 17.388 63.565 29.702 1.00 0.00 ATOM 1344 NE2 GLN A 166 18.730 65.060 28.676 1.00 0.00 ATOM 1345 O GLN A 166 16.596 65.876 23.294 1.00 0.00 ATOM 1346 C GLN A 166 16.502 64.686 23.598 1.00 0.00 ATOM 1347 N VAL A 167 15.750 63.830 22.910 1.00 0.00 ATOM 1348 CA VAL A 167 14.953 64.279 21.775 1.00 0.00 ATOM 1349 CB VAL A 167 15.716 64.086 20.388 1.00 0.00 ATOM 1350 CG1 VAL A 167 16.978 64.942 20.300 1.00 0.00 ATOM 1351 CG2 VAL A 167 16.060 62.618 20.253 1.00 0.00 ATOM 1352 O VAL A 167 13.390 62.542 22.024 1.00 0.00 ATOM 1353 C VAL A 167 13.578 63.668 21.660 1.00 0.00 ATOM 1354 N GLU A 168 12.686 64.489 21.170 1.00 0.00 ATOM 1355 CA GLU A 168 11.319 63.953 20.981 1.00 0.00 ATOM 1356 CB GLU A 168 10.520 64.187 22.263 1.00 0.00 ATOM 1357 CG GLU A 168 10.311 65.653 22.615 1.00 0.00 ATOM 1358 CD GLU A 168 9.521 65.803 23.886 1.00 0.00 ATOM 1359 OE1 GLU A 168 9.986 65.360 24.910 1.00 0.00 ATOM 1360 OE2 GLU A 168 8.505 66.457 23.855 1.00 0.00 ATOM 1361 O GLU A 168 10.732 65.766 19.509 1.00 0.00 ATOM 1362 C GLU A 168 10.566 64.581 19.814 1.00 0.00 ATOM 1363 N PHE A 169 9.714 63.783 19.184 1.00 0.00 ATOM 1364 CA PHE A 169 8.926 64.236 18.051 1.00 0.00 ATOM 1365 CB PHE A 169 8.819 63.059 17.045 1.00 0.00 ATOM 1366 CG PHE A 169 7.794 63.240 15.957 1.00 0.00 ATOM 1367 CD1 PHE A 169 7.891 64.278 15.046 1.00 0.00 ATOM 1368 CD2 PHE A 169 6.755 62.337 15.823 1.00 0.00 ATOM 1369 CE1 PHE A 169 6.968 64.412 14.018 1.00 0.00 ATOM 1370 CE2 PHE A 169 5.829 62.468 14.793 1.00 0.00 ATOM 1371 CZ PHE A 169 5.938 63.504 13.895 1.00 0.00 ATOM 1372 O PHE A 169 6.810 64.121 19.165 1.00 0.00 ATOM 1373 C PHE A 169 7.584 64.803 18.498 1.00 0.00 ATOM 1374 N VAL A 170 7.301 66.046 18.132 1.00 0.00 ATOM 1375 CA VAL A 170 6.011 66.637 18.464 1.00 0.00 ATOM 1376 CB VAL A 170 6.154 68.076 18.995 1.00 0.00 ATOM 1377 CG1 VAL A 170 4.784 68.674 19.278 1.00 0.00 ATOM 1378 CG2 VAL A 170 6.960 68.092 20.284 1.00 0.00 ATOM 1379 O VAL A 170 5.535 67.397 16.236 1.00 0.00 ATOM 1380 C VAL A 170 5.213 66.651 17.162 1.00 0.00 ATOM 1381 N PRO A 171 4.017 65.899 17.166 1.00 0.00 ATOM 1382 CA PRO A 171 3.244 65.849 15.922 1.00 0.00 ATOM 1383 CB PRO A 171 3.416 64.399 15.470 1.00 0.00 ATOM 1384 CG PRO A 171 3.513 63.620 16.739 1.00 0.00 ATOM 1385 CD PRO A 171 4.238 64.503 17.715 1.00 0.00 ATOM 1386 O PRO A 171 0.905 65.342 16.004 1.00 0.00 ATOM 1387 C PRO A 171 1.782 66.192 16.142 1.00 0.00 ATOM 1388 N VAL A 172 1.513 67.445 16.477 1.00 0.00 ATOM 1389 CA VAL A 172 0.143 67.865 16.698 1.00 0.00 ATOM 1390 CB VAL A 172 0.076 69.168 17.516 1.00 0.00 ATOM 1391 CG1 VAL A 172 -1.361 69.660 17.617 1.00 0.00 ATOM 1392 CG2 VAL A 172 0.664 68.959 18.903 1.00 0.00 ATOM 1393 O VAL A 172 -0.103 69.201 14.711 1.00 0.00 ATOM 1394 C VAL A 172 -0.548 68.278 15.401 1.00 0.00 ATOM 1395 N PHE A 173 -1.629 67.608 15.120 1.00 0.00 ATOM 1396 CA PHE A 173 -2.411 67.838 13.907 1.00 0.00 ATOM 1397 CB PHE A 173 -2.238 66.578 13.003 1.00 0.00 ATOM 1398 CG PHE A 173 -0.827 66.282 12.587 1.00 0.00 ATOM 1399 CD1 PHE A 173 -0.151 67.118 11.697 1.00 0.00 ATOM 1400 CD2 PHE A 173 -0.161 65.170 13.101 1.00 0.00 ATOM 1401 CE1 PHE A 173 1.165 66.849 11.314 1.00 0.00 ATOM 1402 CE2 PHE A 173 1.150 64.885 12.726 1.00 0.00 ATOM 1403 CZ PHE A 173 1.798 65.709 11.804 1.00 0.00 ATOM 1404 O PHE A 173 -4.651 67.585 14.705 1.00 0.00 ATOM 1405 C PHE A 173 -3.839 68.289 14.107 1.00 0.00 ATOM 1406 N ASP A 174 -4.145 69.473 13.591 1.00 0.00 ATOM 1407 CA ASP A 174 -5.484 70.001 13.713 1.00 0.00 ATOM 1408 CB ASP A 174 -5.507 71.491 13.372 1.00 0.00 ATOM 1409 CG ASP A 174 -6.748 72.189 13.888 1.00 0.00 ATOM 1410 OD1 ASP A 174 -7.586 71.515 14.528 1.00 0.00 ATOM 1411 OD2 ASP A 174 -6.885 73.409 13.659 1.00 0.00 ATOM 1412 O ASP A 174 -5.900 68.370 11.996 1.00 0.00 ATOM 1413 C ASP A 174 -6.347 69.313 12.650 1.00 0.00 ATOM 1414 N CYS A 175 -7.525 69.728 12.508 1.00 0.00 ATOM 1415 CA CYS A 175 -8.433 69.101 11.549 1.00 0.00 ATOM 1416 CB CYS A 175 -9.886 69.497 11.810 1.00 0.00 ATOM 1417 SG CYS A 175 -10.509 69.019 13.439 1.00 0.00 ATOM 1418 O CYS A 175 -8.810 68.998 9.188 1.00 0.00 ATOM 1419 C CYS A 175 -8.045 69.323 10.107 1.00 0.00 ATOM 1420 N LEU A 176 -6.717 69.893 9.990 1.00 0.00 ATOM 1421 CA LEU A 176 -6.165 70.208 8.684 1.00 0.00 ATOM 1422 CB LEU A 176 -4.649 69.981 8.685 1.00 0.00 ATOM 1423 CG LEU A 176 -3.865 70.797 9.720 1.00 0.00 ATOM 1424 CD1 LEU A 176 -2.393 70.412 9.682 1.00 0.00 ATOM 1425 CD2 LEU A 176 -4.040 72.282 9.434 1.00 0.00 ATOM 1426 O LEU A 176 -7.571 70.012 6.764 1.00 0.00 ATOM 1427 C LEU A 176 -6.776 69.450 7.515 1.00 0.00 ATOM 1428 N THR A 177 -6.439 68.174 7.373 1.00 0.00 ATOM 1429 CA THR A 177 -7.003 67.402 6.281 1.00 0.00 ATOM 1430 CB THR A 177 -6.074 66.230 5.917 1.00 0.00 ATOM 1431 CG2 THR A 177 -6.634 65.452 4.735 1.00 0.00 ATOM 1432 OG1 THR A 177 -4.777 66.735 5.569 1.00 0.00 ATOM 1433 O THR A 177 -8.511 66.102 7.613 1.00 0.00 ATOM 1434 C THR A 177 -8.384 66.896 6.682 1.00 0.00 ATOM 1435 N ASP A 178 -9.414 67.367 6.013 1.00 0.00 ATOM 1436 CA ASP A 178 -10.787 66.977 6.324 1.00 0.00 ATOM 1437 CB ASP A 178 -11.750 68.082 5.889 1.00 0.00 ATOM 1438 CG ASP A 178 -11.852 68.272 4.381 1.00 0.00 ATOM 1439 OD1 ASP A 178 -11.429 67.396 3.662 1.00 0.00 ATOM 1440 OD2 ASP A 178 -12.489 69.208 3.960 1.00 0.00 ATOM 1441 O ASP A 178 -10.227 65.033 5.039 1.00 0.00 ATOM 1442 C ASP A 178 -11.090 65.632 5.678 1.00 0.00 ATOM 1443 N GLN A 179 -12.316 65.153 5.869 1.00 0.00 ATOM 1444 CA GLN A 179 -12.723 63.863 5.320 1.00 0.00 ATOM 1445 CB GLN A 179 -14.130 63.492 5.801 1.00 0.00 ATOM 1446 CG GLN A 179 -14.201 63.096 7.267 1.00 0.00 ATOM 1447 CD GLN A 179 -15.622 62.832 7.727 1.00 0.00 ATOM 1448 OE1 GLN A 179 -16.578 63.009 6.969 1.00 0.00 ATOM 1449 NE2 GLN A 179 -15.768 62.409 8.976 1.00 0.00 ATOM 1450 O GLN A 179 -12.421 62.828 3.187 1.00 0.00 ATOM 1451 C GLN A 179 -12.719 63.852 3.802 1.00 0.00 ATOM 1452 N ALA A 180 -13.084 64.972 3.197 1.00 0.00 ATOM 1453 CA ALA A 180 -13.097 65.070 1.745 1.00 0.00 ATOM 1454 CB ALA A 180 -13.877 66.299 1.302 1.00 0.00 ATOM 1455 O ALA A 180 -11.473 65.017 -0.026 1.00 0.00 ATOM 1456 C ALA A 180 -11.667 65.021 1.192 1.00 0.00 ATOM 1457 N GLY A 181 -10.693 64.998 2.098 1.00 0.00 ATOM 1458 CA GLY A 181 -9.287 64.985 1.694 1.00 0.00 ATOM 1459 O GLY A 181 -7.825 66.475 0.528 1.00 0.00 ATOM 1460 C GLY A 181 -8.793 66.358 1.285 1.00 0.00 ATOM 1461 N GLN A 182 -9.416 67.379 1.775 1.00 0.00 ATOM 1462 CA GLN A 182 -9.082 68.749 1.405 1.00 0.00 ATOM 1463 CB GLN A 182 -10.199 69.567 0.753 1.00 0.00 ATOM 1464 CG GLN A 182 -10.651 69.041 -0.598 1.00 0.00 ATOM 1465 CD GLN A 182 -11.779 69.864 -1.191 1.00 0.00 ATOM 1466 OE1 GLN A 182 -12.177 70.890 -0.633 1.00 0.00 ATOM 1467 NE2 GLN A 182 -12.303 69.416 -2.326 1.00 0.00 ATOM 1468 O GLN A 182 -8.983 69.240 3.754 1.00 0.00 ATOM 1469 C GLN A 182 -8.600 69.522 2.613 1.00 0.00 ATOM 1470 N LEU A 183 -7.737 70.503 2.353 1.00 0.00 ATOM 1471 CA LEU A 183 -7.228 71.380 3.401 1.00 0.00 ATOM 1472 CB LEU A 183 -5.695 71.391 3.379 1.00 0.00 ATOM 1473 CG LEU A 183 -5.024 70.206 4.084 1.00 0.00 ATOM 1474 CD1 LEU A 183 -5.006 68.993 3.164 1.00 0.00 ATOM 1475 CD2 LEU A 183 -3.610 70.592 4.494 1.00 0.00 ATOM 1476 O LEU A 183 -7.884 73.190 1.957 1.00 0.00 ATOM 1477 C LEU A 183 -7.863 72.741 3.107 1.00 0.00 ATOM 1478 N LYS A 184 -8.424 73.375 4.135 1.00 0.00 ATOM 1479 CA LYS A 184 -9.078 74.670 3.967 1.00 0.00 ATOM 1480 CB LYS A 184 -10.073 74.916 5.103 1.00 0.00 ATOM 1481 CG LYS A 184 -11.277 73.987 5.086 1.00 0.00 ATOM 1482 CD LYS A 184 -12.244 74.314 6.210 1.00 0.00 ATOM 1483 CE LYS A 184 -13.416 73.348 6.229 1.00 0.00 ATOM 1484 NZ LYS A 184 -14.371 73.655 7.330 1.00 0.00 ATOM 1485 O LYS A 184 -7.112 75.816 4.700 1.00 0.00 ATOM 1486 C LYS A 184 -8.087 75.824 3.953 1.00 0.00 ATOM 1487 N LYS A 185 -8.337 76.808 3.096 1.00 0.00 ATOM 1488 CA LYS A 185 -7.450 77.958 2.993 1.00 0.00 ATOM 1489 CB LYS A 185 -7.863 78.853 1.825 1.00 0.00 ATOM 1490 CG LYS A 185 -7.662 78.219 0.456 1.00 0.00 ATOM 1491 CD LYS A 185 -8.083 79.162 -0.658 1.00 0.00 ATOM 1492 CE LYS A 185 -7.871 78.535 -2.025 1.00 0.00 ATOM 1493 NZ LYS A 185 -8.290 79.445 -3.128 1.00 0.00 ATOM 1494 O LYS A 185 -6.491 79.451 4.662 1.00 0.00 ATOM 1495 C LYS A 185 -7.432 78.692 4.340 1.00 0.00 ATOM 1496 N GLU A 186 -8.510 78.459 5.139 1.00 0.00 ATOM 1497 CA GLU A 186 -8.666 79.101 6.438 1.00 0.00 ATOM 1498 CB GLU A 186 -10.066 78.844 7.000 1.00 0.00 ATOM 1499 CG GLU A 186 -11.182 79.575 6.268 1.00 0.00 ATOM 1500 CD GLU A 186 -12.530 79.209 6.821 1.00 0.00 ATOM 1501 OE1 GLU A 186 -12.586 78.377 7.695 1.00 0.00 ATOM 1502 OE2 GLU A 186 -13.492 79.840 6.455 1.00 0.00 ATOM 1503 O GLU A 186 -7.274 79.388 8.376 1.00 0.00 ATOM 1504 C GLU A 186 -7.610 78.655 7.439 1.00 0.00 ATOM 1505 N TYR A 187 -7.085 77.451 7.232 1.00 0.00 ATOM 1506 CA TYR A 187 -6.036 76.914 8.096 1.00 0.00 ATOM 1507 CB TYR A 187 -6.232 75.407 8.282 1.00 0.00 ATOM 1508 CG TYR A 187 -7.423 75.045 9.140 1.00 0.00 ATOM 1509 CD1 TYR A 187 -8.504 74.358 8.605 1.00 0.00 ATOM 1510 CD2 TYR A 187 -7.466 75.389 10.484 1.00 0.00 ATOM 1511 CE1 TYR A 187 -9.597 74.026 9.382 1.00 0.00 ATOM 1512 CE2 TYR A 187 -8.551 75.061 11.271 1.00 0.00 ATOM 1513 CZ TYR A 187 -9.615 74.379 10.717 1.00 0.00 ATOM 1514 OH TYR A 187 -10.699 74.048 11.497 1.00 0.00 ATOM 1515 O TYR A 187 -3.756 77.644 8.210 1.00 0.00 ATOM 1516 C TYR A 187 -4.666 77.226 7.504 1.00 0.00 ATOM 1517 N THR A 188 -4.549 77.058 6.191 1.00 0.00 ATOM 1518 CA THR A 188 -3.312 77.352 5.474 1.00 0.00 ATOM 1519 CB THR A 188 -2.580 76.061 5.062 1.00 0.00 ATOM 1520 CG2 THR A 188 -2.113 75.296 6.291 1.00 0.00 ATOM 1521 OG1 THR A 188 -3.462 75.233 4.295 1.00 0.00 ATOM 1522 O THR A 188 -4.406 77.693 3.388 1.00 0.00 ATOM 1523 C THR A 188 -3.721 78.187 4.276 1.00 0.00 ATOM 1524 N THR A 189 -3.359 79.469 4.286 1.00 0.00 ATOM 1525 CA THR A 189 -3.757 80.369 3.213 1.00 0.00 ATOM 1526 CB THR A 189 -3.207 81.790 3.434 1.00 0.00 ATOM 1527 CG2 THR A 189 -3.585 82.696 2.271 1.00 0.00 ATOM 1528 OG1 THR A 189 -3.740 82.329 4.650 1.00 0.00 ATOM 1529 O THR A 189 -4.053 80.015 0.863 1.00 0.00 ATOM 1530 C THR A 189 -3.317 79.903 1.839 1.00 0.00 ATOM 1531 N ASP A 190 -2.019 79.433 1.701 1.00 0.00 ATOM 1532 CA ASP A 190 -1.541 78.998 0.411 1.00 0.00 ATOM 1533 CB ASP A 190 -0.190 79.649 0.107 1.00 0.00 ATOM 1534 CG ASP A 190 0.915 79.295 1.093 1.00 0.00 ATOM 1535 OD1 ASP A 190 0.634 78.614 2.052 1.00 0.00 ATOM 1536 OD2 ASP A 190 2.055 79.573 0.803 1.00 0.00 ATOM 1537 O ASP A 190 -0.826 76.906 -0.530 1.00 0.00 ATOM 1538 C ASP A 190 -1.454 77.479 0.361 1.00 0.00 ATOM 1539 N GLY A 191 -2.093 76.797 1.331 1.00 0.00 ATOM 1540 CA GLY A 191 -2.080 75.348 1.405 1.00 0.00 ATOM 1541 O GLY A 191 -0.941 73.719 2.731 1.00 0.00 ATOM 1542 C GLY A 191 -0.883 74.824 2.183 1.00 0.00 ATOM 1543 N LEU A 192 0.179 75.666 2.283 1.00 0.00 ATOM 1544 CA LEU A 192 1.385 75.265 3.001 1.00 0.00 ATOM 1545 CB LEU A 192 2.637 75.446 2.216 1.00 0.00 ATOM 1546 CG LEU A 192 3.979 75.196 2.908 1.00 0.00 ATOM 1547 CD1 LEU A 192 4.049 73.796 3.484 1.00 0.00 ATOM 1548 CD2 LEU A 192 5.104 75.415 1.915 1.00 0.00 ATOM 1549 O LEU A 192 1.867 75.437 5.356 1.00 0.00 ATOM 1550 C LEU A 192 1.645 76.042 4.299 1.00 0.00 ATOM 1551 N HIS A 193 1.611 77.373 4.228 1.00 0.00 ATOM 1552 CA HIS A 193 1.843 78.191 5.419 1.00 0.00 ATOM 1553 CB HIS A 193 2.450 79.547 5.044 1.00 0.00 ATOM 1554 CG HIS A 193 3.748 79.442 4.308 1.00 0.00 ATOM 1555 CD2 HIS A 193 4.771 78.563 4.421 1.00 0.00 ATOM 1556 ND1 HIS A 193 4.109 80.322 3.309 1.00 0.00 ATOM 1557 CE1 HIS A 193 5.300 79.988 2.839 1.00 0.00 ATOM 1558 NE2 HIS A 193 5.721 78.924 3.499 1.00 0.00 ATOM 1559 O HIS A 193 -0.550 78.518 5.589 1.00 0.00 ATOM 1560 C HIS A 193 0.527 78.386 6.178 1.00 0.00 ATOM 1561 N LEU A 194 0.650 78.365 7.563 1.00 0.00 ATOM 1562 CA LEU A 194 -0.519 78.503 8.430 1.00 0.00 ATOM 1563 CB LEU A 194 -0.236 77.987 9.849 1.00 0.00 ATOM 1564 CG LEU A 194 -0.312 76.488 10.014 1.00 0.00 ATOM 1565 CD1 LEU A 194 0.327 76.084 11.362 1.00 0.00 ATOM 1566 CD2 LEU A 194 -1.774 76.084 9.975 1.00 0.00 ATOM 1567 O LEU A 194 -0.205 80.875 8.768 1.00 0.00 ATOM 1568 C LEU A 194 -1.007 79.929 8.685 1.00 0.00 ATOM 1569 N SER A 195 -2.324 80.058 8.746 1.00 0.00 ATOM 1570 CA SER A 195 -2.937 81.357 9.011 1.00 0.00 ATOM 1571 CB SER A 195 -4.360 81.407 8.452 1.00 0.00 ATOM 1572 OG SER A 195 -5.234 80.583 9.203 1.00 0.00 ATOM 1573 O SER A 195 -2.424 80.533 11.203 1.00 0.00 ATOM 1574 C SER A 195 -2.913 81.446 10.531 1.00 0.00 ATOM 1575 N ILE A 196 -3.458 82.529 11.068 1.00 0.00 ATOM 1576 CA ILE A 196 -3.505 82.676 12.509 1.00 0.00 ATOM 1577 CB ILE A 196 -4.091 84.043 12.915 1.00 0.00 ATOM 1578 CG1 ILE A 196 -3.151 85.174 12.496 1.00 0.00 ATOM 1579 CG2 ILE A 196 -4.287 84.111 14.421 1.00 0.00 ATOM 1580 CD1 ILE A 196 -3.762 86.552 12.617 1.00 0.00 ATOM 1581 O ILE A 196 -3.947 80.931 14.064 1.00 0.00 ATOM 1582 C ILE A 196 -4.322 81.542 13.072 1.00 0.00 ATOM 1583 N ALA A 197 -5.461 81.241 12.444 1.00 0.00 ATOM 1584 CA ALA A 197 -6.349 80.218 12.959 1.00 0.00 ATOM 1585 CB ALA A 197 -7.577 80.097 12.069 1.00 0.00 ATOM 1586 O ALA A 197 -5.768 78.102 13.928 1.00 0.00 ATOM 1587 C ALA A 197 -5.621 78.886 12.990 1.00 0.00 ATOM 1588 N GLY A 198 -4.844 78.626 11.943 1.00 0.00 ATOM 1589 CA GLY A 198 -4.099 77.383 11.850 1.00 0.00 ATOM 1590 O GLY A 198 -2.884 76.223 13.557 1.00 0.00 ATOM 1591 C GLY A 198 -3.032 77.273 12.921 1.00 0.00 ATOM 1592 N TYR A 199 -2.269 78.326 13.155 1.00 0.00 ATOM 1593 CA TYR A 199 -1.248 78.301 14.200 1.00 0.00 ATOM 1594 CB TYR A 199 -0.423 79.584 14.187 1.00 0.00 ATOM 1595 CG TYR A 199 0.608 79.569 13.071 1.00 0.00 ATOM 1596 CD1 TYR A 199 1.546 78.567 12.978 1.00 0.00 ATOM 1597 CD2 TYR A 199 0.623 80.592 12.124 1.00 0.00 ATOM 1598 CE1 TYR A 199 2.490 78.545 11.952 1.00 0.00 ATOM 1599 CE2 TYR A 199 1.564 80.575 11.104 1.00 0.00 ATOM 1600 CZ TYR A 199 2.475 79.561 11.031 1.00 0.00 ATOM 1601 OH TYR A 199 3.388 79.531 9.999 1.00 0.00 ATOM 1602 O TYR A 199 -1.148 77.656 16.501 1.00 0.00 ATOM 1603 C TYR A 199 -1.828 78.133 15.598 1.00 0.00 ATOM 1604 N GLN A 200 -3.043 78.628 15.802 1.00 0.00 ATOM 1605 CA GLN A 200 -3.686 78.523 17.104 1.00 0.00 ATOM 1606 CB GLN A 200 -5.069 79.182 17.073 1.00 0.00 ATOM 1607 CG GLN A 200 -5.802 79.153 18.404 1.00 0.00 ATOM 1608 CD GLN A 200 -7.150 79.843 18.336 1.00 0.00 ATOM 1609 OE1 GLN A 200 -7.587 80.282 17.268 1.00 0.00 ATOM 1610 NE2 GLN A 200 -7.817 79.951 19.479 1.00 0.00 ATOM 1611 O GLN A 200 -3.502 76.670 18.631 1.00 0.00 ATOM 1612 C GLN A 200 -3.799 77.047 17.494 1.00 0.00 ATOM 1613 N ALA A 201 -4.178 76.210 16.535 1.00 0.00 ATOM 1614 CA ALA A 201 -4.325 74.778 16.787 1.00 0.00 ATOM 1615 CB ALA A 201 -4.942 74.084 15.581 1.00 0.00 ATOM 1616 O ALA A 201 -3.002 73.061 17.826 1.00 0.00 ATOM 1617 C ALA A 201 -3.014 74.069 17.113 1.00 0.00 ATOM 1618 N LEU A 202 -1.918 74.591 16.579 1.00 0.00 ATOM 1619 CA LEU A 202 -0.618 73.966 16.808 1.00 0.00 ATOM 1620 CB LEU A 202 0.196 74.079 15.513 1.00 0.00 ATOM 1621 CG LEU A 202 1.591 73.444 15.561 1.00 0.00 ATOM 1622 CD1 LEU A 202 1.474 71.943 15.796 1.00 0.00 ATOM 1623 CD2 LEU A 202 2.327 73.732 14.262 1.00 0.00 ATOM 1624 O LEU A 202 0.947 73.823 18.628 1.00 0.00 ATOM 1625 C LEU A 202 0.240 74.552 17.936 1.00 0.00 ATOM 1626 N SER A 203 0.145 75.815 18.129 1.00 0.00 ATOM 1627 CA SER A 203 1.004 76.444 19.123 1.00 0.00 ATOM 1628 CB SER A 203 0.331 77.951 19.377 1.00 0.00 ATOM 1629 OG SER A 203 1.120 78.834 20.157 1.00 0.00 ATOM 1630 O SER A 203 1.603 76.072 21.413 1.00 0.00 ATOM 1631 C SER A 203 0.696 76.122 20.577 1.00 0.00 ATOM 1632 N LYS A 204 -0.585 76.015 20.909 1.00 0.00 ATOM 1633 CA LYS A 204 -0.972 75.713 22.281 1.00 0.00 ATOM 1634 CB LYS A 204 -2.491 75.582 22.392 1.00 0.00 ATOM 1635 CG LYS A 204 -2.996 75.295 23.799 1.00 0.00 ATOM 1636 CD LYS A 204 -4.517 75.240 23.839 1.00 0.00 ATOM 1637 CE LYS A 204 -5.023 74.907 25.236 1.00 0.00 ATOM 1638 NZ LYS A 204 -6.508 74.855 25.292 1.00 0.00 ATOM 1639 O LYS A 204 0.333 74.413 23.828 1.00 0.00 ATOM 1640 C LYS A 204 -0.293 74.421 22.767 1.00 0.00 ATOM 1641 N SER A 205 -0.381 73.339 21.996 1.00 0.00 ATOM 1642 CA SER A 205 0.246 72.067 22.362 1.00 0.00 ATOM 1643 CB SER A 205 -0.217 70.967 21.425 1.00 0.00 ATOM 1644 OG SER A 205 -1.587 70.700 21.563 1.00 0.00 ATOM 1645 O SER A 205 2.441 71.618 23.217 1.00 0.00 ATOM 1646 C SER A 205 1.764 72.186 22.359 1.00 0.00 ATOM 1647 N LEU A 206 2.309 72.903 21.357 1.00 0.00 ATOM 1648 CA LEU A 206 3.752 73.074 21.269 1.00 0.00 ATOM 1649 CB LEU A 206 4.085 73.820 19.970 1.00 0.00 ATOM 1650 CG LEU A 206 3.971 72.985 18.688 1.00 0.00 ATOM 1651 CD1 LEU A 206 4.151 73.874 17.467 1.00 0.00 ATOM 1652 CD2 LEU A 206 5.017 71.878 18.709 1.00 0.00 ATOM 1653 O LEU A 206 5.355 73.429 23.015 1.00 0.00 ATOM 1654 C LEU A 206 4.305 73.795 22.482 1.00 0.00 ATOM 1655 N LYS A 207 3.555 74.791 22.943 1.00 0.00 ATOM 1656 CA LYS A 207 3.934 75.591 24.102 1.00 0.00 ATOM 1657 CB LYS A 207 2.981 76.774 24.272 1.00 0.00 ATOM 1658 CG LYS A 207 3.481 77.854 25.220 1.00 0.00 ATOM 1659 CD LYS A 207 2.664 77.887 26.503 1.00 0.00 ATOM 1660 CE LYS A 207 3.022 79.092 27.359 1.00 0.00 ATOM 1661 NZ LYS A 207 2.115 79.233 28.530 1.00 0.00 ATOM 1662 O LYS A 207 4.901 74.858 26.184 1.00 0.00 ATOM 1663 C LYS A 207 3.969 74.751 25.389 1.00 0.00 ATOM 1664 N ASP A 208 2.962 73.908 25.600 1.00 0.00 ATOM 1665 CA ASP A 208 2.948 73.081 26.798 1.00 0.00 ATOM 1666 CB ASP A 208 1.638 72.296 26.893 1.00 0.00 ATOM 1667 CG ASP A 208 0.423 73.142 27.257 1.00 0.00 ATOM 1668 OD1 ASP A 208 0.606 74.265 27.661 1.00 0.00 ATOM 1669 OD2 ASP A 208 -0.675 72.719 26.980 1.00 0.00 ATOM 1670 O ASP A 208 4.706 71.893 27.910 1.00 0.00 ATOM 1671 C ASP A 208 4.127 72.118 26.851 1.00 0.00 ATOM 1672 N TYR A 209 4.482 71.547 25.698 1.00 0.00 ATOM 1673 CA TYR A 209 5.600 70.613 25.633 1.00 0.00 ATOM 1674 CB TYR A 209 5.763 70.010 24.234 1.00 0.00 ATOM 1675 CG TYR A 209 4.653 69.061 23.844 1.00 0.00 ATOM 1676 CD1 TYR A 209 3.785 68.549 24.795 1.00 0.00 ATOM 1677 CD2 TYR A 209 4.478 68.678 22.522 1.00 0.00 ATOM 1678 CE1 TYR A 209 2.768 67.679 24.445 1.00 0.00 ATOM 1679 CE2 TYR A 209 3.464 67.811 22.159 1.00 0.00 ATOM 1680 CZ TYR A 209 2.613 67.313 23.124 1.00 0.00 ATOM 1681 OH TYR A 209 1.602 66.451 22.767 1.00 0.00 ATOM 1682 O TYR A 209 7.656 70.768 26.848 1.00 0.00 ATOM 1683 C TYR A 209 6.880 71.289 26.044 1.00 0.00 ATOM 1684 N LEU A 210 7.156 72.495 25.556 1.00 0.00 ATOM 1685 CA LEU A 210 8.345 73.254 25.863 1.00 0.00 ATOM 1686 CB LEU A 210 8.461 74.463 24.926 1.00 0.00 ATOM 1687 CG LEU A 210 8.760 74.125 23.459 1.00 0.00 ATOM 1688 CD1 LEU A 210 8.475 75.331 22.577 1.00 0.00 ATOM 1689 CD2 LEU A 210 10.211 73.689 23.323 1.00 0.00 ATOM 1690 O LEU A 210 9.335 73.652 28.027 1.00 0.00 ATOM 1691 C LEU A 210 8.320 73.701 27.327 1.00 0.00 ATOM 1692 N TYR A 211 7.131 74.070 27.774 1.00 0.00 ATOM 1693 CA TYR A 211 6.973 74.526 29.185 1.00 0.00 ATOM 1694 CB TYR A 211 5.320 74.582 29.503 1.00 0.00 ATOM 1695 CG TYR A 211 4.753 75.604 30.481 1.00 0.00 ATOM 1696 CD1 TYR A 211 3.887 76.608 30.048 1.00 0.00 ATOM 1697 CD2 TYR A 211 5.064 75.546 31.845 1.00 0.00 ATOM 1698 CE1 TYR A 211 3.337 77.527 30.955 1.00 0.00 ATOM 1699 CE2 TYR A 211 4.522 76.458 32.752 1.00 0.00 ATOM 1700 CZ TYR A 211 3.659 77.440 32.300 1.00 0.00 ATOM 1701 OH TYR A 211 3.097 78.320 33.201 1.00 0.00 ATOM 1702 O TYR A 211 7.722 73.580 31.255 1.00 0.00 ATOM 1703 C TYR A 211 7.210 73.393 30.143 1.00 0.00 ENDMDL EXPDTA 2hsjA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hsjA ATOM 1 N MET 1 17.183 84.272 -17.349 1.00 0.00 ATOM 2 CA MET 1 16.077 83.417 -16.832 1.00 0.00 ATOM 3 CB MET 1 16.555 81.971 -16.645 1.00 0.00 ATOM 4 CG MET 1 15.452 80.952 -16.341 1.00 0.00 ATOM 5 SD MET 1 14.795 79.971 -17.917 1.00 0.00 ATOM 6 CE MET 1 14.052 81.461 -18.954 1.00 0.00 ATOM 7 O MET 1 16.282 84.125 -14.539 1.00 0.00 ATOM 8 C MET 1 15.538 83.981 -15.518 1.00 0.00 ATOM 9 N ALA 2 14.244 84.294 -15.503 1.00 0.00 ATOM 10 CA ALA 2 13.604 84.879 -14.330 1.00 0.00 ATOM 11 CB ALA 2 12.184 85.314 -14.674 1.00 0.00 ATOM 12 O ALA 2 13.806 84.370 -11.986 1.00 0.00 ATOM 13 C ALA 2 13.617 83.932 -13.128 1.00 0.00 ATOM 14 N VAL 3 13.450 82.638 -13.390 1.00 0.00 ATOM 15 CA VAL 3 13.475 81.626 -12.328 1.00 0.00 ATOM 16 CB VAL 3 12.890 80.271 -12.806 1.00 0.00 ATOM 17 CG1 VAL 3 13.031 79.183 -11.722 1.00 0.00 ATOM 18 CG2 VAL 3 11.419 80.445 -13.211 1.00 0.00 ATOM 19 O VAL 3 14.992 81.401 -10.473 1.00 0.00 ATOM 20 C VAL 3 14.872 81.471 -11.698 1.00 0.00 ATOM 21 N GLN 4 15.917 81.447 -12.524 1.00 0.00 ATOM 22 CA GLN 4 17.285 81.485 -12.017 1.00 0.00 ATOM 23 CB GLN 4 18.291 81.540 -13.175 1.00 0.00 ATOM 24 CG GLN 4 19.540 82.410 -12.942 1.00 0.00 ATOM 25 CD GLN 4 20.676 81.703 -12.197 1.00 0.00 ATOM 26 OE1 GLN 4 20.483 80.652 -11.563 1.00 0.00 ATOM 27 NE2 GLN 4 21.878 82.291 -12.269 1.00 0.00 ATOM 28 O GLN 4 18.010 82.491 -9.946 1.00 0.00 ATOM 29 C GLN 4 17.467 82.661 -11.044 1.00 0.00 ATOM 30 N LEU 5 16.972 83.837 -11.424 1.00 0.00 ATOM 31 CA LEU 5 17.115 85.017 -10.570 1.00 0.00 ATOM 32 CB LEU 5 17.110 86.309 -11.412 1.00 0.00 ATOM 33 CG LEU 5 18.311 86.402 -12.384 1.00 0.00 ATOM 34 CD1 LEU 5 17.904 86.923 -13.734 1.00 0.00 ATOM 35 CD2 LEU 5 19.508 87.197 -11.849 1.00 0.00 ATOM 36 O LEU 5 16.460 85.692 -8.342 1.00 0.00 ATOM 37 C LEU 5 16.151 85.056 -9.352 1.00 0.00 ATOM 38 N LEU 6 15.019 84.355 -9.420 1.00 0.00 ATOM 39 CA LEU 6 14.201 84.132 -8.209 1.00 0.00 ATOM 40 CB LEU 6 12.800 83.622 -8.539 1.00 0.00 ATOM 41 CG LEU 6 11.735 84.623 -9.006 1.00 0.00 ATOM 42 CD1 LEU 6 10.354 84.004 -8.798 1.00 0.00 ATOM 43 CD2 LEU 6 11.836 85.975 -8.286 1.00 0.00 ATOM 44 O LEU 6 14.845 83.408 -6.006 1.00 0.00 ATOM 45 C LEU 6 14.884 83.179 -7.225 1.00 0.00 ATOM 46 N GLU 7 15.501 82.118 -7.746 1.00 0.00 ATOM 47 CA GLU 7 16.377 81.270 -6.933 1.00 0.00 ATOM 48 CB GLU 7 17.003 80.159 -7.777 1.00 0.00 ATOM 49 CG GLU 7 16.032 79.052 -8.178 1.00 0.00 ATOM 50 CD GLU 7 16.658 78.052 -9.141 1.00 0.00 ATOM 51 OE1 GLU 7 17.874 78.167 -9.423 1.00 0.00 ATOM 52 OE2 GLU 7 15.935 77.151 -9.629 1.00 0.00 ATOM 53 O GLU 7 17.789 81.980 -5.103 1.00 0.00 ATOM 54 C GLU 7 17.477 82.121 -6.293 1.00 0.00 ATOM 55 N ASN 8 18.050 83.014 -7.094 1.00 0.00 ATOM 56 CA ASN 8 19.063 83.939 -6.605 1.00 0.00 ATOM 57 CB ASN 8 19.738 84.668 -7.764 1.00 0.00 ATOM 58 CG ASN 8 20.554 83.732 -8.643 1.00 0.00 ATOM 59 ND2 ASN 8 20.974 84.234 -9.802 1.00 0.00 ATOM 60 OD1 ASN 8 20.793 82.574 -8.298 1.00 0.00 ATOM 61 O ASN 8 19.241 85.200 -4.604 1.00 0.00 ATOM 62 C ASN 8 18.535 84.926 -5.564 1.00 0.00 ATOM 63 N TRP 9 17.325 85.445 -5.764 1.00 0.00 ATOM 64 CA TRP 9 16.693 86.303 -4.764 1.00 0.00 ATOM 65 CB TRP 9 15.264 86.688 -5.174 1.00 0.00 ATOM 66 CG TRP 9 14.475 87.340 -4.072 1.00 0.00 ATOM 67 CD1 TRP 9 14.596 88.626 -3.621 1.00 0.00 ATOM 68 CD2 TRP 9 13.450 86.733 -3.281 1.00 0.00 ATOM 69 CE2 TRP 9 12.990 87.710 -2.370 1.00 0.00 ATOM 70 CE3 TRP 9 12.873 85.457 -3.255 1.00 0.00 ATOM 71 NE1 TRP 9 13.703 88.858 -2.602 1.00 0.00 ATOM 72 CZ2 TRP 9 11.976 87.451 -1.445 1.00 0.00 ATOM 73 CZ3 TRP 9 11.874 85.200 -2.343 1.00 0.00 ATOM 74 CH2 TRP 9 11.428 86.197 -1.450 1.00 0.00 ATOM 75 O TRP 9 17.280 86.064 -2.447 1.00 0.00 ATOM 76 C TRP 9 16.691 85.576 -3.419 1.00 0.00 ATOM 77 N LEU 10 16.059 84.403 -3.389 1.00 0.00 ATOM 78 CA LEU 10 15.919 83.627 -2.154 1.00 0.00 ATOM 79 CB LEU 10 15.232 82.286 -2.428 1.00 0.00 ATOM 80 CG LEU 10 15.073 81.367 -1.198 1.00 0.00 ATOM 81 CD1 LEU 10 14.205 81.994 -0.084 1.00 0.00 ATOM 82 CD2 LEU 10 14.519 80.005 -1.639 1.00 0.00 ATOM 83 O LEU 10 17.411 83.633 -0.272 1.00 0.00 ATOM 84 C LEU 10 17.272 83.400 -1.476 1.00 0.00 ATOM 85 N LEU 11 18.277 82.975 -2.241 1.00 0.00 ATOM 86 CA LEU 11 19.598 82.732 -1.677 1.00 0.00 ATOM 87 CB LEU 11 20.567 82.286 -2.766 1.00 0.00 ATOM 88 CG LEU 11 20.994 80.821 -2.945 1.00 0.00 ATOM 89 CD1 LEU 11 20.124 79.827 -2.193 1.00 0.00 ATOM 90 CD2 LEU 11 21.088 80.448 -4.442 1.00 0.00 ATOM 91 O LEU 11 20.698 83.897 0.116 1.00 0.00 ATOM 92 C LEU 11 20.165 83.973 -1.002 1.00 0.00 ATOM 93 N LYS 12 20.056 85.113 -1.687 1.00 0.00 ATOM 94 CA LYS 12 20.551 86.374 -1.129 1.00 0.00 ATOM 95 CB LYS 12 20.524 87.495 -2.169 1.00 0.00 ATOM 96 CG LYS 12 21.343 87.190 -3.428 1.00 0.00 ATOM 97 CD LYS 12 22.854 87.411 -3.271 1.00 0.00 ATOM 98 CE LYS 12 23.584 87.108 -4.590 1.00 0.00 ATOM 99 NZ LYS 12 25.080 87.118 -4.464 1.00 0.00 ATOM 100 O LYS 12 20.357 87.320 1.063 1.00 0.00 ATOM 101 C LYS 12 19.774 86.784 0.124 1.00 0.00 ATOM 102 N GLU 13 18.472 86.529 0.161 1.00 0.00 ATOM 103 CA GLU 13 17.722 86.908 1.349 1.00 0.00 ATOM 104 CB GLU 13 16.212 86.909 1.123 1.00 0.00 ATOM 105 CG GLU 13 15.701 87.924 0.097 1.00 0.00 ATOM 106 CD GLU 13 15.927 89.383 0.509 1.00 0.00 ATOM 107 OE1 GLU 13 15.813 89.712 1.708 1.00 0.00 ATOM 108 OE2 GLU 13 16.202 90.217 -0.377 1.00 0.00 ATOM 109 O GLU 13 18.246 86.424 3.648 1.00 0.00 ATOM 110 C GLU 13 18.116 85.984 2.505 1.00 0.00 ATOM 111 N GLN 14 18.333 84.706 2.208 1.00 0.00 ATOM 112 CA GLN 14 18.797 83.769 3.245 1.00 0.00 ATOM 113 CB GLN 14 18.880 82.333 2.699 1.00 0.00 ATOM 114 CG GLN 14 17.510 81.750 2.376 1.00 0.00 ATOM 115 CD GLN 14 17.583 80.366 1.720 1.00 0.00 ATOM 116 OE1 GLN 14 18.528 80.063 0.997 1.00 0.00 ATOM 117 NE2 GLN 14 16.580 79.533 1.974 1.00 0.00 ATOM 118 O GLN 14 20.372 84.161 5.022 1.00 0.00 ATOM 119 C GLN 14 20.164 84.178 3.808 1.00 0.00 ATOM 120 N GLU 15 21.101 84.556 2.930 1.00 0.00 ATOM 121 CA GLU 15 22.430 84.991 3.400 1.00 0.00 ATOM 122 CB GLU 15 23.388 85.229 2.233 1.00 0.00 ATOM 123 CG GLU 15 23.593 83.984 1.409 1.00 0.00 ATOM 124 CD GLU 15 24.456 84.225 0.197 1.00 0.00 ATOM 125 OE1 GLU 15 24.577 85.396 -0.243 1.00 0.00 ATOM 126 OE2 GLU 15 25.008 83.231 -0.320 1.00 0.00 ATOM 127 O GLU 15 23.053 86.333 5.290 1.00 0.00 ATOM 128 C GLU 15 22.339 86.241 4.284 1.00 0.00 ATOM 129 N LYS 16 21.460 87.173 3.910 1.00 0.00 ATOM 130 CA LYS 16 21.250 88.395 4.683 1.00 0.00 ATOM 131 CB LYS 16 20.255 89.305 3.975 1.00 0.00 ATOM 132 CG LYS 16 20.906 90.072 2.825 1.00 0.00 ATOM 133 CD LYS 16 19.888 90.642 1.842 1.00 0.00 ATOM 134 CE LYS 16 18.989 91.673 2.462 1.00 0.00 ATOM 135 NZ LYS 16 18.220 92.359 1.381 1.00 0.00 ATOM 136 O LYS 16 21.183 88.635 7.076 1.00 0.00 ATOM 137 C LYS 16 20.730 88.052 6.086 1.00 0.00 ATOM 138 N ILE 17 19.795 87.102 6.176 1.00 0.00 ATOM 139 CA ILE 17 19.290 86.690 7.487 1.00 0.00 ATOM 140 CB ILE 17 17.950 85.904 7.393 1.00 0.00 ATOM 141 CG1 ILE 17 16.873 86.807 6.738 1.00 0.00 ATOM 142 CG2 ILE 17 17.523 85.489 8.772 1.00 0.00 ATOM 143 CD1 ILE 17 15.701 86.049 6.111 1.00 0.00 ATOM 144 O ILE 17 20.497 86.164 9.562 1.00 0.00 ATOM 145 C ILE 17 20.358 85.949 8.318 1.00 0.00 ATOM 146 N GLN 18 21.117 85.085 7.653 1.00 0.00 ATOM 147 CA GLN 18 22.258 84.445 8.314 1.00 0.00 ATOM 148 CB GLN 18 22.983 83.461 7.376 1.00 0.00 ATOM 149 CG GLN 18 22.114 82.253 7.043 1.00 0.00 ATOM 150 CD GLN 18 22.526 81.510 5.808 1.00 0.00 ATOM 151 OE1 GLN 18 23.285 82.028 4.960 1.00 0.00 ATOM 152 NE2 GLN 18 22.027 80.254 5.684 1.00 0.00 ATOM 153 O GLN 18 23.687 85.291 10.038 1.00 0.00 ATOM 154 C GLN 18 23.249 85.446 8.902 1.00 0.00 ATOM 155 N THR 19 23.560 86.486 8.136 1.00 0.00 ATOM 156 CA THR 19 24.451 87.547 8.622 1.00 0.00 ATOM 157 CB THR 19 24.706 88.587 7.523 1.00 0.00 ATOM 158 CG2 THR 19 25.543 89.783 8.071 1.00 0.00 ATOM 159 OG1 THR 19 25.422 87.938 6.453 1.00 0.00 ATOM 160 O THR 19 24.494 88.399 10.873 1.00 0.00 ATOM 161 C THR 19 23.829 88.221 9.846 1.00 0.00 ATOM 162 N LYS 20 22.535 88.537 9.753 1.00 0.00 ATOM 163 CA LYS 20 21.840 89.211 10.849 1.00 0.00 ATOM 164 CB LYS 20 20.382 89.482 10.455 1.00 0.00 ATOM 165 CG LYS 20 19.539 90.221 11.467 1.00 0.00 ATOM 166 CD LYS 20 18.057 90.162 11.074 1.00 0.00 ATOM 167 CE LYS 20 17.250 91.109 11.971 1.00 0.00 ATOM 168 NZ LYS 20 15.775 91.047 11.606 1.00 0.00 ATOM 169 O LYS 20 22.233 88.878 13.212 1.00 0.00 ATOM 170 C LYS 20 21.895 88.373 12.123 1.00 0.00 ATOM 171 N TYR 21 21.566 87.085 11.992 1.00 0.00 ATOM 172 CA TYR 21 21.572 86.180 13.124 1.00 0.00 ATOM 173 CB TYR 21 21.050 84.815 12.688 1.00 0.00 ATOM 174 CG TYR 21 19.556 84.714 12.464 1.00 0.00 ATOM 175 CD1 TYR 21 18.680 85.736 12.870 1.00 0.00 ATOM 176 CD2 TYR 21 19.010 83.578 11.875 1.00 0.00 ATOM 177 CE1 TYR 21 17.298 85.617 12.689 1.00 0.00 ATOM 178 CE2 TYR 21 17.632 83.438 11.715 1.00 0.00 ATOM 179 CZ TYR 21 16.784 84.452 12.113 1.00 0.00 ATOM 180 OH TYR 21 15.416 84.333 11.949 1.00 0.00 ATOM 181 O TYR 21 23.157 85.993 14.918 1.00 0.00 ATOM 182 C TYR 21 22.973 86.019 13.704 1.00 0.00 ATOM 183 N ARG 22 23.963 85.861 12.840 1.00 0.00 ATOM 184 CA ARG 22 25.324 85.687 13.379 1.00 0.00 ATOM 185 CB ARG 22 26.376 85.424 12.282 1.00 0.00 ATOM 186 CG ARG 22 26.240 84.027 11.693 1.00 0.00 ATOM 187 CD ARG 22 27.320 83.720 10.657 1.00 0.00 ATOM 188 NE ARG 22 27.173 82.318 10.252 1.00 0.00 ATOM 189 CZ ARG 22 26.732 81.886 9.073 1.00 0.00 ATOM 190 NH1 ARG 22 26.461 82.723 8.080 1.00 0.00 ATOM 191 NH2 ARG 22 26.628 80.581 8.896 1.00 0.00 ATOM 192 O ARG 22 26.379 86.716 15.281 1.00 0.00 ATOM 193 C ARG 22 25.741 86.885 14.232 1.00 0.00 ATOM 194 N HIS 23 25.347 88.096 13.817 1.00 0.00 ATOM 195 CA HIS 23 25.712 89.280 14.600 1.00 0.00 ATOM 196 CB HIS 23 25.553 90.541 13.764 1.00 0.00 ATOM 197 CG HIS 23 26.256 91.740 14.330 1.00 0.00 ATOM 198 CD2 HIS 23 26.631 92.063 15.595 1.00 0.00 ATOM 199 ND1 HIS 23 26.683 92.779 13.530 1.00 0.00 ATOM 200 CE1 HIS 23 27.277 93.696 14.279 1.00 0.00 ATOM 201 NE2 HIS 23 27.249 93.293 15.535 1.00 0.00 ATOM 202 O HIS 23 25.389 89.632 16.966 1.00 0.00 ATOM 203 C HIS 23 24.861 89.359 15.874 1.00 0.00 ATOM 204 N LEU 24 23.548 89.081 15.743 1.00 0.00 ATOM 205 CA LEU 24 22.702 89.046 16.955 1.00 0.00 ATOM 206 CB LEU 24 21.252 88.703 16.632 1.00 0.00 ATOM 207 CG LEU 24 20.474 89.913 16.169 1.00 0.00 ATOM 208 CD1 LEU 24 19.103 89.448 15.630 1.00 0.00 ATOM 209 CD2 LEU 24 20.318 90.996 17.281 1.00 0.00 ATOM 210 O LEU 24 23.107 88.330 19.213 1.00 0.00 ATOM 211 C LEU 24 23.182 88.061 18.009 1.00 0.00 ATOM 212 N ASN 25 23.653 86.906 17.556 1.00 0.00 ATOM 213 CA ASN 25 24.117 85.875 18.498 1.00 0.00 ATOM 214 CB ASN 25 24.696 84.672 17.761 1.00 0.00 ATOM 215 CG ASN 25 23.637 83.876 17.009 1.00 0.00 ATOM 216 ND2 ASN 25 24.092 82.997 16.087 1.00 0.00 ATOM 217 OD1 ASN 25 22.422 84.068 17.218 1.00 0.00 ATOM 218 O ASN 25 25.301 86.070 20.584 1.00 0.00 ATOM 219 C ASN 25 25.196 86.459 19.426 1.00 0.00 ATOM 220 N HIS 26 25.985 87.401 18.920 1.00 0.00 ATOM 221 CA HIS 26 27.074 87.992 19.714 1.00 0.00 ATOM 222 CB HIS 26 28.199 88.542 18.817 1.00 0.00 ATOM 223 CG HIS 26 28.920 87.500 18.015 1.00 0.00 ATOM 224 CD2 HIS 26 29.025 87.322 16.675 1.00 0.00 ATOM 225 ND1 HIS 26 29.665 86.502 18.594 1.00 0.00 ATOM 226 CE1 HIS 26 30.160 85.720 17.649 1.00 0.00 ATOM 227 NE2 HIS 26 29.804 86.208 16.475 1.00 0.00 ATOM 228 O HIS 26 27.091 89.272 21.758 1.00 0.00 ATOM 229 C HIS 26 26.596 89.119 20.624 1.00 0.00 ATOM 230 N ILE 27 25.650 89.925 20.156 1.00 0.00 ATOM 231 CA ILE 27 25.329 91.129 20.934 1.00 0.00 ATOM 232 CB ILE 27 25.488 92.408 20.105 1.00 0.00 ATOM 233 CG1 ILE 27 24.428 92.473 19.000 1.00 0.00 ATOM 234 CG2 ILE 27 26.926 92.505 19.546 1.00 0.00 ATOM 235 CD1 ILE 27 24.128 93.895 18.539 1.00 0.00 ATOM 236 O ILE 27 23.585 92.092 22.281 1.00 0.00 ATOM 237 C ILE 27 23.966 91.113 21.626 1.00 0.00 ATOM 238 N SER 28 23.229 90.020 21.450 1.00 0.00 ATOM 239 CA SER 28 21.895 89.907 22.057 1.00 0.00 ATOM 240 CB SER 28 21.347 88.503 21.882 1.00 0.00 ATOM 241 OG SER 28 20.133 88.378 22.623 1.00 0.00 ATOM 242 O SER 28 22.958 89.823 24.244 1.00 0.00 ATOM 243 C SER 28 21.982 90.200 23.559 1.00 0.00 ATOM 244 N VAL 29 20.954 90.879 24.068 1.00 0.00 ATOM 245 CA VAL 29 20.916 91.201 25.494 1.00 0.00 ATOM 246 CB VAL 29 20.377 92.635 25.750 1.00 0.00 ATOM 247 CG1 VAL 29 21.180 93.669 24.968 1.00 0.00 ATOM 248 CG2 VAL 29 18.887 92.740 25.443 1.00 0.00 ATOM 249 O VAL 29 19.960 90.321 27.507 1.00 0.00 ATOM 250 C VAL 29 20.112 90.173 26.286 1.00 0.00 ATOM 251 N VAL 30 19.610 89.144 25.606 1.00 0.00 ATOM 252 CA VAL 30 18.842 88.076 26.295 1.00 0.00 ATOM 253 CB VAL 30 17.413 87.884 25.716 1.00 0.00 ATOM 254 CG1 VAL 30 16.652 89.223 25.725 1.00 0.00 ATOM 255 CG2 VAL 30 17.435 87.336 24.292 1.00 0.00 ATOM 256 O VAL 30 20.407 86.450 25.470 1.00 0.00 ATOM 257 C VAL 30 19.554 86.742 26.324 1.00 0.00 ATOM 258 N GLU 31 19.184 85.932 27.315 1.00 0.00 ATOM 259 CA GLU 31 19.592 84.533 27.390 1.00 0.00 ATOM 260 CB GLU 31 19.987 84.148 28.837 1.00 0.00 ATOM 261 CG GLU 31 21.367 84.635 29.273 1.00 0.00 ATOM 262 CD GLU 31 22.533 83.932 28.576 1.00 0.00 ATOM 263 OE1 GLU 31 22.307 82.991 27.784 1.00 0.00 ATOM 264 OE2 GLU 31 23.681 84.368 28.783 1.00 0.00 ATOM 265 O GLU 31 17.396 83.587 27.626 1.00 0.00 ATOM 266 C GLU 31 18.406 83.704 26.911 1.00 0.00 ATOM 267 N PRO 32 18.483 83.158 25.682 1.00 0.00 ATOM 268 CA PRO 32 17.328 82.360 25.225 1.00 0.00 ATOM 269 CB PRO 32 17.713 81.909 23.811 1.00 0.00 ATOM 270 CG PRO 32 19.090 82.429 23.553 1.00 0.00 ATOM 271 CD PRO 32 19.597 83.210 24.722 1.00 0.00 ATOM 272 O PRO 32 18.052 80.407 26.466 1.00 0.00 ATOM 273 C PRO 32 17.104 81.143 26.130 1.00 0.00 ATOM 274 N ASN 33 15.859 80.944 26.548 1.00 0.00 ATOM 275 CA ASN 33 15.498 79.703 27.211 1.00 0.00 ATOM 276 CB ASN 33 14.327 79.904 28.152 1.00 0.00 ATOM 277 CG ASN 33 14.048 78.672 28.966 1.00 0.00 ATOM 278 ND2 ASN 33 14.942 78.364 29.921 1.00 0.00 ATOM 279 OD1 ASN 33 13.044 77.993 28.738 1.00 0.00 ATOM 280 O ASN 33 15.406 77.450 26.352 1.00 0.00 ATOM 281 C ASN 33 15.126 78.642 26.168 1.00 0.00 ATOM 282 N ILE 34 14.510 79.093 25.079 1.00 0.00 ATOM 283 CA ILE 34 14.083 78.201 24.001 1.00 0.00 ATOM 284 CB ILE 34 12.560 77.924 24.063 1.00 0.00 ATOM 285 CG1 ILE 34 12.186 77.351 25.427 1.00 0.00 ATOM 286 CG2 ILE 34 12.115 76.984 22.924 1.00 0.00 ATOM 287 CD1 ILE 34 10.731 77.443 25.761 1.00 0.00 ATOM 288 O ILE 34 14.051 79.998 22.413 1.00 0.00 ATOM 289 C ILE 34 14.403 78.839 22.665 1.00 0.00 ATOM 290 N LEU 35 15.040 78.066 21.793 1.00 0.00 ATOM 291 CA LEU 35 15.328 78.517 20.425 1.00 0.00 ATOM 292 CB LEU 35 16.789 78.190 20.032 1.00 0.00 ATOM 293 CG LEU 35 17.851 79.024 20.731 1.00 0.00 ATOM 294 CD1 LEU 35 19.255 78.380 20.609 1.00 0.00 ATOM 295 CD2 LEU 35 17.883 80.422 20.111 1.00 0.00 ATOM 296 O LEU 35 14.213 76.589 19.561 1.00 0.00 ATOM 297 C LEU 35 14.371 77.806 19.464 1.00 0.00 ATOM 298 N PHE 36 13.757 78.549 18.541 1.00 0.00 ATOM 299 CA PHE 36 12.955 77.935 17.466 1.00 0.00 ATOM 300 CB PHE 36 11.613 78.666 17.290 1.00 0.00 ATOM 301 CG PHE 36 10.474 78.025 18.037 1.00 0.00 ATOM 302 CD1 PHE 36 10.405 78.094 19.429 1.00 0.00 ATOM 303 CD2 PHE 36 9.413 77.424 17.367 1.00 0.00 ATOM 304 CE1 PHE 36 9.345 77.521 20.142 1.00 0.00 ATOM 305 CE2 PHE 36 8.348 76.836 18.075 1.00 0.00 ATOM 306 CZ PHE 36 8.303 76.889 19.449 1.00 0.00 ATOM 307 O PHE 36 14.103 79.129 15.769 1.00 0.00 ATOM 308 C PHE 36 13.751 78.048 16.184 1.00 0.00 ATOM 309 N ILE 37 14.044 76.906 15.570 1.00 0.00 ATOM 310 CA ILE 37 14.866 76.852 14.382 1.00 0.00 ATOM 311 CB ILE 37 16.185 76.039 14.668 1.00 0.00 ATOM 312 CG1 ILE 37 16.957 76.700 15.805 1.00 0.00 ATOM 313 CG2 ILE 37 17.002 75.819 13.374 1.00 0.00 ATOM 314 CD1 ILE 37 18.256 75.991 16.173 1.00 0.00 ATOM 315 O ILE 37 13.396 75.164 13.536 1.00 0.00 ATOM 316 C ILE 37 14.082 76.163 13.288 1.00 0.00 ATOM 317 N GLY 38 14.195 76.678 12.068 1.00 0.00 ATOM 318 CA GLY 38 13.599 76.000 10.937 1.00 0.00 ATOM 319 O GLY 38 14.204 77.807 9.511 1.00 0.00 ATOM 320 C GLY 38 13.400 76.906 9.756 1.00 0.00 ATOM 321 N ASP 39 12.332 76.632 9.007 1.00 0.00 ATOM 322 CA ASP 39 12.116 77.273 7.720 1.00 0.00 ATOM 323 CB ASP 39 11.695 76.197 6.690 1.00 0.00 ATOM 324 CG ASP 39 10.473 75.399 7.147 1.00 0.00 ATOM 325 OD1 ASP 39 9.651 75.931 7.953 1.00 0.00 ATOM 326 OD2 ASP 39 10.315 74.238 6.699 1.00 0.00 ATOM 327 O ASP 39 11.052 79.095 8.867 1.00 0.00 ATOM 328 C ASP 39 11.130 78.455 7.824 1.00 0.00 ATOM 329 N SER 40 10.387 78.712 6.747 1.00 0.00 ATOM 330 CA SER 40 9.439 79.824 6.697 1.00 0.00 ATOM 331 CB SER 40 8.681 79.807 5.377 1.00 0.00 ATOM 332 OG SER 40 9.594 79.905 4.307 1.00 0.00 ATOM 333 O SER 40 8.117 80.800 8.428 1.00 0.00 ATOM 334 C SER 40 8.441 79.777 7.830 1.00 0.00 ATOM 335 N ILE 41 7.929 78.585 8.120 1.00 0.00 ATOM 336 CA ILE 41 6.892 78.468 9.151 1.00 0.00 ATOM 337 CB ILE 41 6.299 77.056 9.199 1.00 0.00 ATOM 338 CG1 ILE 41 5.607 76.770 7.855 1.00 0.00 ATOM 339 CG2 ILE 41 5.295 76.905 10.368 1.00 0.00 ATOM 340 CD1 ILE 41 5.583 75.236 7.476 1.00 0.00 ATOM 341 O ILE 41 6.711 79.610 11.262 1.00 0.00 ATOM 342 C ILE 41 7.432 78.967 10.504 1.00 0.00 ATOM 343 N VAL 42 8.719 78.726 10.773 1.00 0.00 ATOM 344 CA VAL 42 9.337 79.283 11.966 1.00 0.00 ATOM 345 CB VAL 42 10.648 78.539 12.339 1.00 0.00 ATOM 346 CG1 VAL 42 11.241 79.184 13.563 1.00 0.00 ATOM 347 CG2 VAL 42 10.313 77.078 12.585 1.00 0.00 ATOM 348 O VAL 42 9.264 81.535 12.713 1.00 0.00 ATOM 349 C VAL 42 9.597 80.781 11.800 1.00 0.00 ATOM 350 N GLU 43 10.204 81.222 10.683 1.00 0.00 ATOM 351 CA GLU 43 10.537 82.651 10.582 1.00 0.00 ATOM 352 CB GLU 43 11.079 83.013 9.195 1.00 0.00 ATOM 353 CG GLU 43 11.646 84.423 9.211 1.00 0.00 ATOM 354 CD GLU 43 12.124 84.950 7.883 1.00 0.00 ATOM 355 OE1 GLU 43 12.509 84.158 7.001 1.00 0.00 ATOM 356 OE2 GLU 43 12.130 86.201 7.747 1.00 0.00 ATOM 357 O GLU 43 9.417 84.578 11.491 1.00 0.00 ATOM 358 C GLU 43 9.320 83.514 10.832 1.00 0.00 ATOM 359 N TYR 44 8.188 83.073 10.296 1.00 0.00 ATOM 360 CA TYR 44 6.993 83.909 10.333 1.00 0.00 ATOM 361 CB TYR 44 6.134 83.664 9.085 1.00 0.00 ATOM 362 CG TYR 44 6.823 83.756 7.752 1.00 0.00 ATOM 363 CD1 TYR 44 7.876 84.622 7.538 1.00 0.00 ATOM 364 CD2 TYR 44 6.336 83.019 6.677 1.00 0.00 ATOM 365 CE1 TYR 44 8.495 84.700 6.242 1.00 0.00 ATOM 366 CE2 TYR 44 6.917 83.101 5.418 1.00 0.00 ATOM 367 CZ TYR 44 8.001 83.926 5.230 1.00 0.00 ATOM 368 OH TYR 44 8.578 84.006 3.963 1.00 0.00 ATOM 369 O TYR 44 5.016 84.255 11.700 1.00 0.00 ATOM 370 C TYR 44 6.111 83.657 11.563 1.00 0.00 ATOM 371 N TYR 45 6.548 82.774 12.441 1.00 0.00 ATOM 372 CA TYR 45 5.760 82.395 13.628 1.00 0.00 ATOM 373 CB TYR 45 6.476 81.242 14.309 1.00 0.00 ATOM 374 CG TYR 45 5.629 80.322 15.173 1.00 0.00 ATOM 375 CD1 TYR 45 5.803 78.939 15.093 1.00 0.00 ATOM 376 CD2 TYR 45 4.683 80.816 16.095 1.00 0.00 ATOM 377 CE1 TYR 45 5.069 78.071 15.894 1.00 0.00 ATOM 378 CE2 TYR 45 3.901 79.946 16.890 1.00 0.00 ATOM 379 CZ TYR 45 4.103 78.568 16.779 1.00 0.00 ATOM 380 OH TYR 45 3.375 77.663 17.541 1.00 0.00 ATOM 381 O TYR 45 6.771 84.051 15.038 1.00 0.00 ATOM 382 C TYR 45 5.718 83.548 14.625 1.00 0.00 ATOM 383 N PRO 46 4.514 84.009 14.996 1.00 0.00 ATOM 384 CA PRO 46 4.370 85.059 16.015 1.00 0.00 ATOM 385 CB PRO 46 2.946 85.613 15.799 1.00 0.00 ATOM 386 CG PRO 46 2.206 84.563 15.052 1.00 0.00 ATOM 387 CD PRO 46 3.227 83.628 14.387 1.00 0.00 ATOM 388 O PRO 46 3.584 84.348 18.206 1.00 0.00 ATOM 389 C PRO 46 4.538 84.495 17.422 1.00 0.00 ATOM 390 N LEU 47 5.797 84.139 17.730 1.00 0.00 ATOM 391 CA LEU 47 6.114 83.474 19.009 1.00 0.00 ATOM 392 CB LEU 47 7.617 83.150 19.093 1.00 0.00 ATOM 393 CG LEU 47 8.093 82.179 18.010 1.00 0.00 ATOM 394 CD1 LEU 47 9.637 82.135 17.994 1.00 0.00 ATOM 395 CD2 LEU 47 7.525 80.794 18.229 1.00 0.00 ATOM 396 O LEU 47 5.078 83.760 21.143 1.00 0.00 ATOM 397 C LEU 47 5.717 84.290 20.233 1.00 0.00 ATOM 398 N GLN 48 6.074 85.571 20.232 1.00 0.00 ATOM 399 CA GLN 48 5.779 86.413 21.391 1.00 0.00 ATOM 400 CB GLN 48 6.261 87.837 21.141 1.00 0.00 ATOM 401 CG GLN 48 6.045 88.803 22.297 1.00 0.00 ATOM 402 CD GLN 48 6.120 90.228 21.793 1.00 0.00 ATOM 403 OE1 GLN 48 5.557 90.554 20.745 1.00 0.00 ATOM 404 NE2 GLN 48 6.834 91.080 22.514 1.00 0.00 ATOM 405 O GLN 48 3.820 86.329 22.783 1.00 0.00 ATOM 406 C GLN 48 4.277 86.478 21.655 1.00 0.00 ATOM 407 N GLU 49 3.529 86.808 20.614 1.00 0.00 ATOM 408 CA GLU 49 2.102 87.083 20.826 1.00 0.00 ATOM 409 CB GLU 49 1.541 87.979 19.691 1.00 0.00 ATOM 410 CG GLU 49 2.185 89.357 19.669 1.00 0.00 ATOM 411 CD GLU 49 1.544 90.276 18.635 1.00 0.00 ATOM 412 OE1 GLU 49 0.483 90.881 18.948 1.00 0.00 ATOM 413 OE2 GLU 49 2.077 90.309 17.493 1.00 0.00 ATOM 414 O GLU 49 0.177 85.888 21.579 1.00 0.00 ATOM 415 C GLU 49 1.270 85.814 21.023 1.00 0.00 ATOM 416 N LEU 50 1.805 84.662 20.610 1.00 0.00 ATOM 417 CA LEU 50 1.039 83.420 20.828 1.00 0.00 ATOM 418 CB LEU 50 0.967 82.562 19.561 1.00 0.00 ATOM 419 CG LEU 50 0.243 83.266 18.413 1.00 0.00 ATOM 420 CD1 LEU 50 0.283 82.382 17.171 1.00 0.00 ATOM 421 CD2 LEU 50 -1.222 83.601 18.737 1.00 0.00 ATOM 422 O LEU 50 0.574 81.842 22.561 1.00 0.00 ATOM 423 C LEU 50 1.450 82.570 22.019 1.00 0.00 ATOM 424 N PHE 51 2.759 82.601 22.377 1.00 0.00 ATOM 425 CA PHE 51 3.253 81.863 23.551 1.00 0.00 ATOM 426 CB PHE 51 4.568 81.172 23.238 1.00 0.00 ATOM 427 CG PHE 51 4.438 79.974 22.348 1.00 0.00 ATOM 428 CD1 PHE 51 3.608 78.906 22.703 1.00 0.00 ATOM 429 CD2 PHE 51 5.161 79.906 21.154 1.00 0.00 ATOM 430 CE1 PHE 51 3.514 77.762 21.887 1.00 0.00 ATOM 431 CE2 PHE 51 5.054 78.783 20.318 1.00 0.00 ATOM 432 CZ PHE 51 4.236 77.702 20.699 1.00 0.00 ATOM 433 O PHE 51 3.547 82.247 25.923 1.00 0.00 ATOM 434 C PHE 51 3.452 82.748 24.783 1.00 0.00 ATOM 435 N GLY 52 3.580 84.057 24.571 1.00 0.00 ATOM 436 CA GLY 52 3.871 84.946 25.683 1.00 0.00 ATOM 437 O GLY 52 6.143 84.261 25.312 1.00 0.00 ATOM 438 C GLY 52 5.347 84.884 26.031 1.00 0.00 ATOM 439 N THR 53 5.721 85.538 27.135 1.00 0.00 ATOM 440 CA THR 53 7.131 85.767 27.400 1.00 0.00 ATOM 441 CB THR 53 7.494 87.255 27.250 1.00 0.00 ATOM 442 CG2 THR 53 7.104 87.764 25.845 1.00 0.00 ATOM 443 OG1 THR 53 6.777 88.010 28.223 1.00 0.00 ATOM 444 O THR 53 8.614 85.615 29.282 1.00 0.00 ATOM 445 C THR 53 7.549 85.243 28.773 1.00 0.00 ATOM 446 N SER 54 6.756 84.332 29.343 1.00 0.00 ATOM 447 CA SER 54 7.155 83.731 30.631 1.00 0.00 ATOM 448 CB SER 54 6.112 82.734 31.142 1.00 0.00 ATOM 449 OG SER 54 6.043 81.578 30.333 1.00 0.00 ATOM 450 O SER 54 9.325 83.052 31.417 1.00 0.00 ATOM 451 C SER 54 8.531 83.057 30.483 1.00 0.00 ATOM 452 N LYS 55 8.797 82.513 29.290 1.00 0.00 ATOM 453 CA LYS 55 10.115 81.964 28.939 1.00 0.00 ATOM 454 CB LYS 55 10.016 80.480 28.594 1.00 0.00 ATOM 455 CG LYS 55 9.629 79.600 29.762 1.00 0.00 ATOM 456 CD LYS 55 9.756 78.154 29.333 1.00 0.00 ATOM 457 CE LYS 55 9.480 77.194 30.465 1.00 0.00 ATOM 458 NZ LYS 55 9.659 75.806 29.969 1.00 0.00 ATOM 459 O LYS 55 9.807 83.084 26.890 1.00 0.00 ATOM 460 C LYS 55 10.611 82.711 27.732 1.00 0.00 ATOM 461 N THR 56 11.923 82.917 27.640 1.00 0.00 ATOM 462 CA THR 56 12.470 83.710 26.537 1.00 0.00 ATOM 463 CB THR 56 13.802 84.347 26.936 1.00 0.00 ATOM 464 CG2 THR 56 14.370 85.203 25.781 1.00 0.00 ATOM 465 OG1 THR 56 13.587 85.159 28.104 1.00 0.00 ATOM 466 O THR 56 13.560 81.926 25.340 1.00 0.00 ATOM 467 C THR 56 12.671 82.790 25.338 1.00 0.00 ATOM 468 N ILE 57 11.819 82.983 24.338 1.00 0.00 ATOM 469 CA ILE 57 11.815 82.153 23.123 1.00 0.00 ATOM 470 CB ILE 57 10.382 81.657 22.754 1.00 0.00 ATOM 471 CG1 ILE 57 9.706 80.985 23.961 1.00 0.00 ATOM 472 CG2 ILE 57 10.434 80.716 21.509 1.00 0.00 ATOM 473 CD1 ILE 57 8.266 80.599 23.642 1.00 0.00 ATOM 474 O ILE 57 11.815 84.089 21.703 1.00 0.00 ATOM 475 C ILE 57 12.348 83.017 21.986 1.00 0.00 ATOM 476 N VAL 58 13.398 82.523 21.334 1.00 0.00 ATOM 477 CA VAL 58 14.061 83.307 20.292 1.00 0.00 ATOM 478 CB VAL 58 15.554 83.535 20.630 1.00 0.00 ATOM 479 CG1 VAL 58 16.286 84.216 19.482 1.00 0.00 ATOM 480 CG2 VAL 58 15.669 84.382 21.924 1.00 0.00 ATOM 481 O VAL 58 14.087 81.409 18.806 1.00 0.00 ATOM 482 C VAL 58 13.894 82.629 18.937 1.00 0.00 ATOM 483 N ASN 59 13.593 83.456 17.940 1.00 0.00 ATOM 484 CA ASN 59 13.358 82.989 16.568 1.00 0.00 ATOM 485 CB ASN 59 12.413 83.960 15.883 1.00 0.00 ATOM 486 CG ASN 59 11.752 83.366 14.642 1.00 0.00 ATOM 487 ND2 ASN 59 10.425 83.534 14.521 1.00 0.00 ATOM 488 OD1 ASN 59 12.406 82.721 13.837 1.00 0.00 ATOM 489 O ASN 59 15.408 83.942 15.672 1.00 0.00 ATOM 490 C ASN 59 14.679 82.931 15.794 1.00 0.00 ATOM 491 N ARG 60 14.973 81.738 15.277 1.00 0.00 ATOM 492 CA ARG 60 16.107 81.541 14.369 1.00 0.00 ATOM 493 CB ARG 60 17.295 80.834 15.063 1.00 0.00 ATOM 494 CG ARG 60 18.045 81.779 16.046 1.00 0.00 ATOM 495 CD ARG 60 18.841 82.812 15.226 1.00 0.00 ATOM 496 NE ARG 60 19.664 83.730 16.020 1.00 0.00 ATOM 497 CZ ARG 60 19.199 84.828 16.610 1.00 0.00 ATOM 498 NH1 ARG 60 17.895 85.148 16.547 1.00 0.00 ATOM 499 NH2 ARG 60 20.049 85.601 17.304 1.00 0.00 ATOM 500 O ARG 60 16.281 79.870 12.642 1.00 0.00 ATOM 501 C ARG 60 15.609 80.763 13.126 1.00 0.00 ATOM 502 N GLY 61 14.428 81.115 12.633 1.00 0.00 ATOM 503 CA GLY 61 13.950 80.516 11.401 1.00 0.00 ATOM 504 O GLY 61 14.599 82.530 10.263 1.00 0.00 ATOM 505 C GLY 61 14.350 81.323 10.174 1.00 0.00 ATOM 506 N ILE 62 14.398 80.647 9.023 1.00 0.00 ATOM 507 CA ILE 62 14.728 81.335 7.757 1.00 0.00 ATOM 508 CB ILE 62 16.199 81.169 7.403 1.00 0.00 ATOM 509 CG1 ILE 62 17.043 81.806 8.504 1.00 0.00 ATOM 510 CG2 ILE 62 16.506 81.761 6.019 1.00 0.00 ATOM 511 CD1 ILE 62 18.567 81.865 8.187 1.00 0.00 ATOM 512 O ILE 62 13.843 79.545 6.398 1.00 0.00 ATOM 513 C ILE 62 13.880 80.770 6.624 1.00 0.00 ATOM 514 N ARG 63 13.207 81.691 5.933 1.00 0.00 ATOM 515 CA ARG 63 12.377 81.310 4.794 1.00 0.00 ATOM 516 CB ARG 63 11.815 82.560 4.122 1.00 0.00 ATOM 517 CG ARG 63 12.921 83.185 3.292 1.00 0.00 ATOM 518 CD ARG 63 12.814 84.619 3.056 1.00 0.00 ATOM 519 NE ARG 63 12.683 85.408 4.272 1.00 0.00 ATOM 520 CZ ARG 63 12.530 86.719 4.231 1.00 0.00 ATOM 521 NH1 ARG 63 12.549 87.341 3.050 1.00 0.00 ATOM 522 NH2 ARG 63 12.398 87.409 5.334 1.00 0.00 ATOM 523 O ARG 63 14.349 80.607 3.490 1.00 0.00 ATOM 524 C ARG 63 13.148 80.421 3.770 1.00 0.00 ATOM 525 N GLY 64 12.437 79.431 3.229 1.00 0.00 ATOM 526 CA GLY 64 12.974 78.563 2.215 1.00 0.00 ATOM 527 O GLY 64 14.622 76.890 1.835 1.00 0.00 ATOM 528 C GLY 64 14.021 77.572 2.658 1.00 0.00 ATOM 529 N TYR 65 14.211 77.451 3.975 1.00 0.00 ATOM 530 CA TYR 65 15.307 76.613 4.478 1.00 0.00 ATOM 531 CB TYR 65 15.522 76.839 5.971 1.00 0.00 ATOM 532 CG TYR 65 16.921 77.292 6.377 1.00 0.00 ATOM 533 CD1 TYR 65 17.692 78.111 5.559 1.00 0.00 ATOM 534 CD2 TYR 65 17.389 77.032 7.673 1.00 0.00 ATOM 535 CE1 TYR 65 18.946 78.572 5.987 1.00 0.00 ATOM 536 CE2 TYR 65 18.618 77.497 8.114 1.00 0.00 ATOM 537 CZ TYR 65 19.386 78.279 7.268 1.00 0.00 ATOM 538 OH TYR 65 20.594 78.777 7.727 1.00 0.00 ATOM 539 O TYR 65 13.910 74.649 4.198 1.00 0.00 ATOM 540 C TYR 65 15.056 75.128 4.252 1.00 0.00 ATOM 541 N GLN 66 16.164 74.417 4.138 1.00 0.00 ATOM 542 CA GLN 66 16.183 72.968 3.951 1.00 0.00 ATOM 543 CB GLN 66 16.621 72.587 2.544 1.00 0.00 ATOM 544 CG GLN 66 15.740 73.060 1.442 1.00 0.00 ATOM 545 CD GLN 66 16.311 72.680 0.073 1.00 0.00 ATOM 546 OE1 GLN 66 16.708 71.531 -0.146 1.00 0.00 ATOM 547 NE2 GLN 66 16.398 73.658 -0.833 1.00 0.00 ATOM 548 O GLN 66 18.069 73.132 5.416 1.00 0.00 ATOM 549 C GLN 66 17.213 72.412 4.913 1.00 0.00 ATOM 550 N THR 67 17.106 71.120 5.175 1.00 0.00 ATOM 551 CA THR 67 18.013 70.503 6.155 1.00 0.00 ATOM 552 CB THR 67 17.792 68.973 6.323 1.00 0.00 ATOM 553 CG2 THR 67 16.309 68.659 6.795 1.00 0.00 ATOM 554 OG1 THR 67 18.037 68.318 5.064 1.00 0.00 ATOM 555 O THR 67 20.276 70.975 6.760 1.00 0.00 ATOM 556 C THR 67 19.492 70.743 5.846 1.00 0.00 ATOM 557 N GLY 68 19.871 70.706 4.566 1.00 0.00 ATOM 558 CA GLY 68 21.281 70.897 4.200 1.00 0.00 ATOM 559 O GLY 68 22.929 72.495 4.923 1.00 0.00 ATOM 560 C GLY 68 21.778 72.296 4.478 1.00 0.00 ATOM 561 N LEU 69 20.927 73.277 4.201 1.00 0.00 ATOM 562 CA LEU 69 21.306 74.679 4.428 1.00 0.00 ATOM 563 CB LEU 69 20.243 75.608 3.854 1.00 0.00 ATOM 564 CG LEU 69 19.986 75.467 2.359 1.00 0.00 ATOM 565 CD1 LEU 69 18.799 76.306 1.920 1.00 0.00 ATOM 566 CD2 LEU 69 21.246 75.869 1.611 1.00 0.00 ATOM 567 O LEU 69 22.352 75.668 6.385 1.00 0.00 ATOM 568 C LEU 69 21.443 74.941 5.933 1.00 0.00 ATOM 569 N LEU 70 20.553 74.325 6.707 1.00 0.00 ATOM 570 CA LEU 70 20.603 74.483 8.138 1.00 0.00 ATOM 571 CB LEU 70 19.352 73.885 8.807 1.00 0.00 ATOM 572 CG LEU 70 19.397 73.800 10.335 1.00 0.00 ATOM 573 CD1 LEU 70 19.588 75.185 10.973 1.00 0.00 ATOM 574 CD2 LEU 70 18.118 73.149 10.853 1.00 0.00 ATOM 575 O LEU 70 22.549 74.505 9.527 1.00 0.00 ATOM 576 C LEU 70 21.880 73.892 8.710 1.00 0.00 ATOM 577 N LEU 71 22.231 72.706 8.237 1.00 0.00 ATOM 578 CA LEU 71 23.414 72.033 8.766 1.00 0.00 ATOM 579 CB LEU 71 23.529 70.614 8.206 1.00 0.00 ATOM 580 CG LEU 71 24.862 69.907 8.493 1.00 0.00 ATOM 581 CD1 LEU 71 25.064 69.721 10.002 1.00 0.00 ATOM 582 CD2 LEU 71 24.795 68.584 7.795 1.00 0.00 ATOM 583 O LEU 71 25.535 73.098 9.291 1.00 0.00 ATOM 584 C LEU 71 24.673 72.856 8.431 1.00 0.00 ATOM 585 N GLU 72 24.769 73.298 7.182 1.00 0.00 ATOM 586 CA GLU 72 25.939 74.099 6.758 1.00 0.00 ATOM 587 CB GLU 72 25.831 74.459 5.272 1.00 0.00 ATOM 588 CG GLU 72 25.867 73.291 4.320 1.00 0.00 ATOM 589 CD GLU 72 25.683 73.726 2.857 1.00 0.00 ATOM 590 OE1 GLU 72 26.662 74.257 2.265 1.00 0.00 ATOM 591 OE2 GLU 72 24.550 73.560 2.316 1.00 0.00 ATOM 592 O GLU 72 27.231 75.914 7.668 1.00 0.00 ATOM 593 C GLU 72 26.117 75.401 7.545 1.00 0.00 ATOM 594 N ASN 73 25.001 75.952 8.011 1.00 0.00 ATOM 595 CA ASN 73 24.982 77.269 8.667 1.00 0.00 ATOM 596 CB ASN 73 24.099 78.245 7.890 1.00 0.00 ATOM 597 CG ASN 73 24.651 78.550 6.516 1.00 0.00 ATOM 598 ND2 ASN 73 24.205 77.797 5.509 1.00 0.00 ATOM 599 OD1 ASN 73 25.523 79.403 6.361 1.00 0.00 ATOM 600 O ASN 73 23.989 78.170 10.633 1.00 0.00 ATOM 601 C ASN 73 24.462 77.182 10.093 1.00 0.00 ATOM 602 N LEU 74 24.645 76.024 10.725 1.00 0.00 ATOM 603 CA LEU 74 24.058 75.762 12.024 1.00 0.00 ATOM 604 CB LEU 74 24.371 74.328 12.442 1.00 0.00 ATOM 605 CG LEU 74 23.724 73.857 13.742 1.00 0.00 ATOM 606 CD1 LEU 74 22.200 73.930 13.712 1.00 0.00 ATOM 607 CD2 LEU 74 24.186 72.433 14.030 1.00 0.00 ATOM 608 O LEU 74 23.673 77.167 13.935 1.00 0.00 ATOM 609 C LEU 74 24.491 76.777 13.090 1.00 0.00 ATOM 610 N ASP 75 25.727 77.283 12.996 1.00 0.00 ATOM 611 CA ASP 75 26.225 78.259 13.951 1.00 0.00 ATOM 612 CB ASP 75 27.664 78.611 13.550 1.00 0.00 ATOM 613 CG ASP 75 27.719 79.415 12.273 1.00 0.00 ATOM 614 OD1 ASP 75 27.447 78.843 11.193 1.00 0.00 ATOM 615 OD2 ASP 75 28.004 80.624 12.353 1.00 0.00 ATOM 616 O ASP 75 25.362 80.235 15.058 1.00 0.00 ATOM 617 C ASP 75 25.385 79.539 14.020 1.00 0.00 ATOM 618 N ALA 76 24.710 79.865 12.922 1.00 0.00 ATOM 619 CA ALA 76 23.890 81.092 12.882 1.00 0.00 ATOM 620 CB ALA 76 23.475 81.436 11.445 1.00 0.00 ATOM 621 O ALA 76 22.020 81.960 14.128 1.00 0.00 ATOM 622 C ALA 76 22.648 80.948 13.770 1.00 0.00 ATOM 623 N HIS 77 22.326 79.705 14.117 1.00 0.00 ATOM 624 CA HIS 77 21.019 79.414 14.730 1.00 0.00 ATOM 625 CB HIS 77 20.328 78.279 13.960 1.00 0.00 ATOM 626 CG HIS 77 20.121 78.614 12.526 1.00 0.00 ATOM 627 CD2 HIS 77 20.959 78.504 11.464 1.00 0.00 ATOM 628 ND1 HIS 77 18.972 79.230 12.066 1.00 0.00 ATOM 629 CE1 HIS 77 19.100 79.449 10.766 1.00 0.00 ATOM 630 NE2 HIS 77 20.302 79.041 10.383 1.00 0.00 ATOM 631 O HIS 77 20.030 78.900 16.839 1.00 0.00 ATOM 632 C HIS 77 21.060 79.114 16.218 1.00 0.00 ATOM 633 N LEU 78 22.261 79.066 16.769 1.00 0.00 ATOM 634 CA LEU 78 22.453 78.626 18.151 1.00 0.00 ATOM 635 CB LEU 78 23.257 77.325 18.165 1.00 0.00 ATOM 636 CG LEU 78 22.689 76.125 17.410 1.00 0.00 ATOM 637 CD1 LEU 78 23.677 74.977 17.370 1.00 0.00 ATOM 638 CD2 LEU 78 21.418 75.652 18.044 1.00 0.00 ATOM 639 O LEU 78 24.332 80.054 18.528 1.00 0.00 ATOM 640 C LEU 78 23.236 79.656 18.942 1.00 0.00 ATOM 641 N TYR 79 22.703 80.077 20.092 1.00 0.00 ATOM 642 CA TYR 79 23.522 80.827 21.061 1.00 0.00 ATOM 643 CB TYR 79 23.704 82.288 20.624 1.00 0.00 ATOM 644 CG TYR 79 22.534 83.227 20.929 1.00 0.00 ATOM 645 CD1 TYR 79 22.550 84.032 22.073 1.00 0.00 ATOM 646 CD2 TYR 79 21.435 83.314 20.066 1.00 0.00 ATOM 647 CE1 TYR 79 21.491 84.932 22.334 1.00 0.00 ATOM 648 CE2 TYR 79 20.358 84.195 20.332 1.00 0.00 ATOM 649 CZ TYR 79 20.400 85.004 21.465 1.00 0.00 ATOM 650 OH TYR 79 19.384 85.909 21.754 1.00 0.00 ATOM 651 O TYR 79 21.769 80.320 22.578 1.00 0.00 ATOM 652 C TYR 79 22.908 80.747 22.449 1.00 0.00 ATOM 653 N GLY 80 23.658 81.181 23.466 1.00 0.00 ATOM 654 CA GLY 80 23.119 81.278 24.841 1.00 0.00 ATOM 655 O GLY 80 24.366 79.317 25.407 1.00 0.00 ATOM 656 C GLY 80 23.836 80.353 25.805 1.00 0.00 ATOM 657 N GLY 81 23.888 80.757 27.076 1.00 0.00 ATOM 658 CA GLY 81 24.525 79.954 28.118 1.00 0.00 ATOM 659 O GLY 81 24.004 78.376 29.852 1.00 0.00 ATOM 660 C GLY 81 23.564 79.112 28.947 1.00 0.00 ATOM 661 N ALA 82 22.262 79.215 28.670 1.00 0.00 ATOM 662 CA ALA 82 21.261 78.487 29.455 1.00 0.00 ATOM 663 CB ALA 82 20.846 79.308 30.656 1.00 0.00 ATOM 664 O ALA 82 18.898 78.500 28.934 1.00 0.00 ATOM 665 C ALA 82 20.038 78.107 28.622 1.00 0.00 ATOM 666 N VAL 83 20.291 77.353 27.560 1.00 0.00 ATOM 667 CA VAL 83 19.211 76.984 26.604 1.00 0.00 ATOM 668 CB VAL 83 19.739 76.805 25.163 1.00 0.00 ATOM 669 CG1 VAL 83 18.597 76.509 24.230 1.00 0.00 ATOM 670 CG2 VAL 83 20.484 78.056 24.701 1.00 0.00 ATOM 671 O VAL 83 19.240 74.647 27.117 1.00 0.00 ATOM 672 C VAL 83 18.572 75.682 27.075 1.00 0.00 ATOM 673 N ASP 84 17.288 75.757 27.427 1.00 0.00 ATOM 674 CA ASP 84 16.568 74.577 27.949 1.00 0.00 ATOM 675 CB ASP 84 15.354 75.005 28.766 1.00 0.00 ATOM 676 CG ASP 84 14.619 73.803 29.380 1.00 0.00 ATOM 677 OD1 ASP 84 15.290 72.799 29.670 1.00 0.00 ATOM 678 OD2 ASP 84 13.392 73.883 29.554 1.00 0.00 ATOM 679 O ASP 84 16.260 72.458 26.842 1.00 0.00 ATOM 680 C ASP 84 16.118 73.680 26.778 1.00 0.00 ATOM 681 N LYS 85 15.581 74.294 25.725 1.00 0.00 ATOM 682 CA LYS 85 15.013 73.519 24.612 1.00 0.00 ATOM 683 CB LYS 85 13.489 73.357 24.766 1.00 0.00 ATOM 684 CG LYS 85 13.067 72.811 26.140 1.00 0.00 ATOM 685 CD LYS 85 11.556 72.565 26.152 1.00 0.00 ATOM 686 CE LYS 85 11.091 71.889 27.441 1.00 0.00 ATOM 687 NZ LYS 85 10.993 72.880 28.513 1.00 0.00 ATOM 688 O LYS 85 15.327 75.408 23.161 1.00 0.00 ATOM 689 C LYS 85 15.281 74.175 23.279 1.00 0.00 ATOM 690 N ILE 86 15.404 73.328 22.272 1.00 0.00 ATOM 691 CA ILE 86 15.401 73.762 20.862 1.00 0.00 ATOM 692 CB ILE 86 16.767 73.400 20.216 1.00 0.00 ATOM 693 CG1 ILE 86 17.891 74.205 20.872 1.00 0.00 ATOM 694 CG2 ILE 86 16.748 73.599 18.710 1.00 0.00 ATOM 695 CD1 ILE 86 19.302 73.683 20.535 1.00 0.00 ATOM 696 O ILE 86 14.138 71.850 20.174 1.00 0.00 ATOM 697 C ILE 86 14.257 73.079 20.107 1.00 0.00 ATOM 698 N PHE 87 13.410 73.872 19.445 1.00 0.00 ATOM 699 CA PHE 87 12.342 73.333 18.619 1.00 0.00 ATOM 700 CB PHE 87 11.034 74.111 18.831 1.00 0.00 ATOM 701 CG PHE 87 10.315 73.744 20.088 1.00 0.00 ATOM 702 CD1 PHE 87 9.129 73.028 20.042 1.00 0.00 ATOM 703 CD2 PHE 87 10.846 74.088 21.339 1.00 0.00 ATOM 704 CE1 PHE 87 8.455 72.668 21.197 1.00 0.00 ATOM 705 CE2 PHE 87 10.174 73.721 22.518 1.00 0.00 ATOM 706 CZ PHE 87 8.991 73.001 22.442 1.00 0.00 ATOM 707 O PHE 87 13.207 74.529 16.735 1.00 0.00 ATOM 708 C PHE 87 12.784 73.445 17.179 1.00 0.00 ATOM 709 N LEU 88 12.693 72.342 16.458 1.00 0.00 ATOM 710 CA LEU 88 13.135 72.265 15.082 1.00 0.00 ATOM 711 CB LEU 88 14.273 71.255 15.018 1.00 0.00 ATOM 712 CG LEU 88 14.868 71.048 13.642 1.00 0.00 ATOM 713 CD1 LEU 88 15.316 72.367 13.005 1.00 0.00 ATOM 714 CD2 LEU 88 16.064 70.073 13.778 1.00 0.00 ATOM 715 O LEU 88 11.406 70.738 14.318 1.00 0.00 ATOM 716 C LEU 88 11.980 71.843 14.164 1.00 0.00 ATOM 717 N LEU 89 11.633 72.734 13.223 1.00 0.00 ATOM 718 CA LEU 89 10.617 72.458 12.218 1.00 0.00 ATOM 719 CB LEU 89 9.339 73.330 12.403 1.00 0.00 ATOM 720 CG LEU 89 8.258 73.088 11.326 1.00 0.00 ATOM 721 CD1 LEU 89 7.785 71.570 11.202 1.00 0.00 ATOM 722 CD2 LEU 89 7.075 74.014 11.575 1.00 0.00 ATOM 723 O LEU 89 11.430 73.820 10.408 1.00 0.00 ATOM 724 C LEU 89 11.236 72.689 10.850 1.00 0.00 ATOM 725 N ILE 90 11.499 71.588 10.153 1.00 0.00 ATOM 726 CA ILE 90 12.171 71.671 8.865 1.00 0.00 ATOM 727 CB ILE 90 13.688 71.907 9.102 1.00 0.00 ATOM 728 CG1 ILE 90 14.392 72.467 7.827 1.00 0.00 ATOM 729 CG2 ILE 90 14.342 70.671 9.714 1.00 0.00 ATOM 730 CD1 ILE 90 15.619 73.279 8.080 1.00 0.00 ATOM 731 O ILE 90 11.732 69.336 8.665 1.00 0.00 ATOM 732 C ILE 90 11.968 70.391 8.076 1.00 0.00 ATOM 733 N GLY 91 12.038 70.500 6.750 1.00 0.00 ATOM 734 CA GLY 91 11.900 69.336 5.858 1.00 0.00 ATOM 735 O GLY 91 11.058 68.971 3.677 1.00 0.00 ATOM 736 C GLY 91 10.903 69.551 4.743 1.00 0.00 ATOM 737 N THR 92 9.879 70.378 4.962 1.00 0.00 ATOM 738 CA THR 92 8.906 70.559 3.875 1.00 0.00 ATOM 739 CB THR 92 7.751 71.427 4.315 1.00 0.00 ATOM 740 CG2 THR 92 8.141 72.915 4.321 1.00 0.00 ATOM 741 OG1 THR 92 6.633 71.211 3.439 1.00 0.00 ATOM 742 O THR 92 9.076 70.773 1.481 1.00 0.00 ATOM 743 C THR 92 9.544 71.085 2.580 1.00 0.00 ATOM 744 N ASN 93 10.635 71.856 2.701 1.00 0.00 ATOM 745 CA ASN 93 11.305 72.351 1.483 1.00 0.00 ATOM 746 CB ASN 93 11.984 73.693 1.739 1.00 0.00 ATOM 747 CG ASN 93 10.981 74.737 2.116 1.00 0.00 ATOM 748 ND2 ASN 93 11.361 75.619 3.035 1.00 0.00 ATOM 749 OD1 ASN 93 9.858 74.766 1.590 1.00 0.00 ATOM 750 O ASN 93 12.498 71.357 -0.326 1.00 0.00 ATOM 751 C ASN 93 12.260 71.342 0.881 1.00 0.00 ATOM 752 N ASP 94 12.739 70.422 1.719 1.00 0.00 ATOM 753 CA ASP 94 13.473 69.285 1.192 1.00 0.00 ATOM 754 CB ASP 94 14.012 68.419 2.340 1.00 0.00 ATOM 755 CG ASP 94 15.111 69.115 3.169 1.00 0.00 ATOM 756 OD1 ASP 94 16.284 68.686 3.061 1.00 0.00 ATOM 757 OD2 ASP 94 14.800 70.058 3.946 1.00 0.00 ATOM 758 O ASP 94 12.933 68.056 -0.808 1.00 0.00 ATOM 759 C ASP 94 12.558 68.450 0.310 1.00 0.00 ATOM 760 N ILE 95 11.355 68.163 0.814 1.00 0.00 ATOM 761 CA ILE 95 10.341 67.456 0.009 1.00 0.00 ATOM 762 CB ILE 95 9.067 67.198 0.845 1.00 0.00 ATOM 763 CG1 ILE 95 9.394 66.205 1.973 1.00 0.00 ATOM 764 CG2 ILE 95 7.925 66.711 -0.045 1.00 0.00 ATOM 765 CD1 ILE 95 8.240 65.953 2.962 1.00 0.00 ATOM 766 O ILE 95 9.962 67.709 -2.362 1.00 0.00 ATOM 767 C ILE 95 10.014 68.252 -1.266 1.00 0.00 ATOM 768 N GLY 96 9.842 69.557 -1.114 1.00 0.00 ATOM 769 CA GLY 96 9.511 70.413 -2.267 1.00 0.00 ATOM 770 O GLY 96 10.263 70.708 -4.515 1.00 0.00 ATOM 771 C GLY 96 10.573 70.466 -3.343 1.00 0.00 ATOM 772 N LYS 97 11.819 70.220 -2.955 1.00 0.00 ATOM 773 CA LYS 97 12.942 70.203 -3.894 1.00 0.00 ATOM 774 CB LYS 97 14.153 70.932 -3.297 1.00 0.00 ATOM 775 CG LYS 97 13.983 72.438 -3.145 1.00 0.00 ATOM 776 CD LYS 97 14.080 73.129 -4.496 1.00 0.00 ATOM 777 CE LYS 97 14.008 74.637 -4.366 1.00 0.00 ATOM 778 NZ LYS 97 13.805 75.236 -5.716 1.00 0.00 ATOM 779 O LYS 97 14.378 68.597 -4.934 1.00 0.00 ATOM 780 C LYS 97 13.363 68.786 -4.260 1.00 0.00 ATOM 781 N ASP 98 12.605 67.795 -3.815 1.00 0.00 ATOM 782 CA ASP 98 12.867 66.391 -4.171 1.00 0.00 ATOM 783 CB ASP 98 12.729 66.168 -5.696 1.00 0.00 ATOM 784 CG ASP 98 12.176 64.785 -6.047 1.00 0.00 ATOM 785 OD1 ASP 98 11.573 64.108 -5.175 1.00 0.00 ATOM 786 OD2 ASP 98 12.360 64.368 -7.218 1.00 0.00 ATOM 787 O ASP 98 14.928 65.093 -4.286 1.00 0.00 ATOM 788 C ASP 98 14.229 65.897 -3.642 1.00 0.00 ATOM 789 N VAL 99 14.620 66.379 -2.465 1.00 0.00 ATOM 790 CA VAL 99 15.824 65.869 -1.804 1.00 0.00 ATOM 791 CB VAL 99 16.176 66.767 -0.594 1.00 0.00 ATOM 792 CG1 VAL 99 17.254 66.150 0.332 1.00 0.00 ATOM 793 CG2 VAL 99 16.554 68.170 -1.077 1.00 0.00 ATOM 794 O VAL 99 14.458 64.205 -0.746 1.00 0.00 ATOM 795 C VAL 99 15.512 64.431 -1.334 1.00 0.00 ATOM 796 N PRO 100 16.414 63.460 -1.604 1.00 0.00 ATOM 797 CA PRO 100 16.236 62.085 -1.111 1.00 0.00 ATOM 798 CB PRO 100 17.573 61.416 -1.475 1.00 0.00 ATOM 799 CG PRO 100 18.031 62.136 -2.661 1.00 0.00 ATOM 800 CD PRO 100 17.630 63.584 -2.418 1.00 0.00 ATOM 801 O PRO 100 16.768 62.751 1.124 1.00 0.00 ATOM 802 C PRO 100 16.044 62.058 0.400 1.00 0.00 ATOM 803 N VAL 101 15.054 61.295 0.865 1.00 0.00 ATOM 804 CA VAL 101 14.788 61.214 2.289 1.00 0.00 ATOM 805 CB VAL 101 13.581 60.317 2.604 1.00 0.00 ATOM 806 CG1 VAL 101 13.874 58.836 2.256 1.00 0.00 ATOM 807 CG2 VAL 101 13.132 60.491 4.063 1.00 0.00 ATOM 808 O VAL 101 16.332 61.402 4.121 1.00 0.00 ATOM 809 C VAL 101 16.050 60.826 3.079 1.00 0.00 ATOM 810 N ASN 102 16.825 59.880 2.568 1.00 0.00 ATOM 811 CA ASN 102 18.065 59.511 3.269 1.00 0.00 ATOM 812 CB ASN 102 18.827 58.403 2.544 1.00 0.00 ATOM 813 CG ASN 102 18.152 57.061 2.650 1.00 0.00 ATOM 814 ND2 ASN 102 18.681 56.075 1.910 1.00 0.00 ATOM 815 OD1 ASN 102 17.176 56.893 3.384 1.00 0.00 ATOM 816 O ASN 102 19.659 60.788 4.519 1.00 0.00 ATOM 817 C ASN 102 19.015 60.684 3.475 1.00 0.00 ATOM 818 N GLU 103 19.098 61.558 2.467 1.00 0.00 ATOM 819 CA GLU 103 19.972 62.727 2.535 1.00 0.00 ATOM 820 CB GLU 103 20.014 63.415 1.184 1.00 0.00 ATOM 821 CG GLU 103 21.033 64.530 1.104 1.00 0.00 ATOM 822 CD GLU 103 21.086 65.134 -0.287 1.00 0.00 ATOM 823 OE1 GLU 103 21.018 64.369 -1.273 1.00 0.00 ATOM 824 OE2 GLU 103 21.172 66.375 -0.395 1.00 0.00 ATOM 825 O GLU 103 20.321 64.196 4.418 1.00 0.00 ATOM 826 C GLU 103 19.509 63.703 3.614 1.00 0.00 ATOM 827 N ALA 104 18.199 63.950 3.653 1.00 0.00 ATOM 828 CA ALA 104 17.639 64.847 4.661 1.00 0.00 ATOM 829 CB ALA 104 16.172 65.110 4.382 1.00 0.00 ATOM 830 O ALA 104 18.136 64.988 7.002 1.00 0.00 ATOM 831 C ALA 104 17.816 64.265 6.068 1.00 0.00 ATOM 832 N LEU 105 17.598 62.957 6.232 1.00 0.00 ATOM 833 CA LEU 105 17.767 62.329 7.557 1.00 0.00 ATOM 834 CB LEU 105 17.272 60.881 7.533 1.00 0.00 ATOM 835 CG LEU 105 15.768 60.698 7.595 1.00 0.00 ATOM 836 CD1 LEU 105 15.489 59.236 7.257 1.00 0.00 ATOM 837 CD2 LEU 105 15.215 61.125 8.956 1.00 0.00 ATOM 838 O LEU 105 19.456 62.521 9.253 1.00 0.00 ATOM 839 C LEU 105 19.214 62.338 8.068 1.00 0.00 ATOM 840 N ASN 106 20.164 62.109 7.166 1.00 0.00 ATOM 841 CA ASN 106 21.576 62.218 7.523 1.00 0.00 ATOM 842 CB ASN 106 22.482 61.759 6.373 1.00 0.00 ATOM 843 CG ASN 106 22.479 60.265 6.185 1.00 0.00 ATOM 844 ND2 ASN 106 22.755 59.826 4.960 1.00 0.00 ATOM 845 OD1 ASN 106 22.195 59.513 7.117 1.00 0.00 ATOM 846 O ASN 106 22.642 63.891 8.854 1.00 0.00 ATOM 847 C ASN 106 21.912 63.657 7.904 1.00 0.00 ATOM 848 N ASN 107 21.360 64.640 7.197 1.00 0.00 ATOM 849 CA ASN 107 21.590 66.025 7.606 1.00 0.00 ATOM 850 CB ASN 107 20.906 66.983 6.640 1.00 0.00 ATOM 851 CG ASN 107 21.554 67.000 5.258 1.00 0.00 ATOM 852 ND2 ASN 107 20.783 67.467 4.270 1.00 0.00 ATOM 853 OD1 ASN 107 22.733 66.618 5.075 1.00 0.00 ATOM 854 O ASN 107 21.694 66.921 9.823 1.00 0.00 ATOM 855 C ASN 107 21.042 66.284 9.015 1.00 0.00 ATOM 856 N LEU 108 19.812 65.813 9.274 1.00 0.00 ATOM 857 CA LEU 108 19.213 65.999 10.593 1.00 0.00 ATOM 858 CB LEU 108 17.741 65.554 10.635 1.00 0.00 ATOM 859 CG LEU 108 16.679 66.447 10.052 1.00 0.00 ATOM 860 CD1 LEU 108 15.414 65.638 10.070 1.00 0.00 ATOM 861 CD2 LEU 108 16.491 67.706 10.879 1.00 0.00 ATOM 862 O LEU 108 20.167 65.854 12.765 1.00 0.00 ATOM 863 C LEU 108 19.992 65.308 11.686 1.00 0.00 ATOM 864 N GLU 109 20.472 64.095 11.395 1.00 0.00 ATOM 865 CA GLU 109 21.263 63.367 12.376 1.00 0.00 ATOM 866 CB GLU 109 21.548 61.936 11.906 1.00 0.00 ATOM 867 CG GLU 109 22.177 61.144 12.991 1.00 0.00 ATOM 868 CD GLU 109 22.011 59.641 12.820 1.00 0.00 ATOM 869 OE1 GLU 109 21.763 59.162 11.687 1.00 0.00 ATOM 870 OE2 GLU 109 22.146 58.935 13.832 1.00 0.00 ATOM 871 O GLU 109 22.927 64.274 13.848 1.00 0.00 ATOM 872 C GLU 109 22.544 64.136 12.682 1.00 0.00 ATOM 873 N ALA 110 23.182 64.672 11.634 1.00 0.00 ATOM 874 CA ALA 110 24.362 65.516 11.798 1.00 0.00 ATOM 875 CB ALA 110 24.927 65.901 10.448 1.00 0.00 ATOM 876 O ALA 110 24.854 67.151 13.509 1.00 0.00 ATOM 877 C ALA 110 24.062 66.766 12.647 1.00 0.00 ATOM 878 N ILE 111 22.906 67.387 12.422 1.00 0.00 ATOM 879 CA ILE 111 22.490 68.511 13.249 1.00 0.00 ATOM 880 CB ILE 111 21.195 69.120 12.710 1.00 0.00 ATOM 881 CG1 ILE 111 21.480 69.804 11.368 1.00 0.00 ATOM 882 CG2 ILE 111 20.584 70.103 13.710 1.00 0.00 ATOM 883 CD1 ILE 111 20.241 70.063 10.552 1.00 0.00 ATOM 884 O ILE 111 22.810 68.741 15.623 1.00 0.00 ATOM 885 C ILE 111 22.289 68.114 14.717 1.00 0.00 ATOM 886 N ILE 112 21.549 67.034 14.942 1.00 0.00 ATOM 887 CA ILE 112 21.344 66.567 16.296 1.00 0.00 ATOM 888 CB ILE 112 20.478 65.309 16.253 1.00 0.00 ATOM 889 CG1 ILE 112 19.029 65.717 16.009 1.00 0.00 ATOM 890 CG2 ILE 112 20.603 64.506 17.551 1.00 0.00 ATOM 891 CD1 ILE 112 18.156 64.511 15.620 1.00 0.00 ATOM 892 O ILE 112 22.863 66.650 18.179 1.00 0.00 ATOM 893 C ILE 112 22.675 66.280 17.012 1.00 0.00 ATOM 894 N GLN 113 23.608 65.613 16.326 1.00 0.00 ATOM 895 CA GLN 113 24.897 65.309 16.959 1.00 0.00 ATOM 896 CB GLN 113 25.717 64.381 16.077 1.00 0.00 ATOM 897 CG GLN 113 25.076 62.999 15.954 1.00 0.00 ATOM 898 CD GLN 113 25.807 62.099 14.973 1.00 0.00 ATOM 899 OE1 GLN 113 26.708 62.546 14.272 1.00 0.00 ATOM 900 NE2 GLN 113 25.426 60.828 14.924 1.00 0.00 ATOM 901 O GLN 113 26.350 66.595 18.372 1.00 0.00 ATOM 902 C GLN 113 25.692 66.559 17.327 1.00 0.00 ATOM 903 N SER 114 25.642 67.573 16.461 1.00 0.00 ATOM 904 CA SER 114 26.352 68.830 16.701 1.00 0.00 ATOM 905 CB SER 114 26.257 69.712 15.462 1.00 0.00 ATOM 906 OG SER 114 27.084 70.856 15.568 1.00 0.00 ATOM 907 O SER 114 26.524 69.946 18.846 1.00 0.00 ATOM 908 C SER 114 25.785 69.553 17.926 1.00 0.00 ATOM 909 N VAL 115 24.460 69.716 17.944 1.00 0.00 ATOM 910 CA VAL 115 23.794 70.276 19.114 1.00 0.00 ATOM 911 CB VAL 115 22.260 70.367 18.884 1.00 0.00 ATOM 912 CG1 VAL 115 21.575 70.876 20.141 1.00 0.00 ATOM 913 CG2 VAL 115 21.948 71.272 17.679 1.00 0.00 ATOM 914 O VAL 115 24.369 70.104 21.459 1.00 0.00 ATOM 915 C VAL 115 24.119 69.501 20.409 1.00 0.00 ATOM 916 N ALA 116 24.125 68.171 20.333 1.00 0.00 ATOM 917 CA ALA 116 24.466 67.306 21.482 1.00 0.00 ATOM 918 CB ALA 116 24.430 65.827 21.081 1.00 0.00 ATOM 919 O ALA 116 25.878 67.620 23.391 1.00 0.00 ATOM 920 C ALA 116 25.796 67.615 22.154 1.00 0.00 ATOM 921 N ARG 117 26.845 67.852 21.366 1.00 0.00 ATOM 922 CA ARG 117 28.143 68.135 21.956 1.00 0.00 ATOM 923 CB ARG 117 29.314 67.745 21.032 1.00 0.00 ATOM 924 CG ARG 117 29.324 68.358 19.644 1.00 0.00 ATOM 925 CD ARG 117 30.309 67.593 18.718 1.00 0.00 ATOM 926 NE ARG 117 30.029 67.892 17.307 1.00 0.00 ATOM 927 CZ ARG 117 29.582 67.009 16.411 1.00 0.00 ATOM 928 NH1 ARG 117 29.390 65.735 16.750 1.00 0.00 ATOM 929 NH2 ARG 117 29.344 67.398 15.162 1.00 0.00 ATOM 930 O ARG 117 28.904 69.749 23.560 1.00 0.00 ATOM 931 C ARG 117 28.281 69.554 22.512 1.00 0.00 ATOM 932 N ASP 118 27.677 70.526 21.824 1.00 0.00 ATOM 933 CA ASP 118 27.754 71.942 22.214 1.00 0.00 ATOM 934 CB ASP 118 27.526 72.839 20.986 1.00 0.00 ATOM 935 CG ASP 118 28.650 72.741 19.965 1.00 0.00 ATOM 936 OD1 ASP 118 29.803 72.426 20.349 1.00 0.00 ATOM 937 OD2 ASP 118 28.368 72.985 18.775 1.00 0.00 ATOM 938 O ASP 118 26.979 73.259 24.067 1.00 0.00 ATOM 939 C ASP 118 26.729 72.335 23.284 1.00 0.00 ATOM 940 N TYR 119 25.582 71.648 23.292 1.00 0.00 ATOM 941 CA TYR 119 24.447 71.969 24.192 1.00 0.00 ATOM 942 CB TYR 119 23.292 72.657 23.415 1.00 0.00 ATOM 943 CG TYR 119 23.710 73.981 22.846 1.00 0.00 ATOM 944 CD1 TYR 119 23.575 75.157 23.597 1.00 0.00 ATOM 945 CD2 TYR 119 24.279 74.070 21.574 1.00 0.00 ATOM 946 CE1 TYR 119 23.998 76.385 23.092 1.00 0.00 ATOM 947 CE2 TYR 119 24.710 75.293 21.060 1.00 0.00 ATOM 948 CZ TYR 119 24.556 76.445 21.819 1.00 0.00 ATOM 949 OH TYR 119 24.970 77.652 21.309 1.00 0.00 ATOM 950 O TYR 119 22.868 70.213 24.608 1.00 0.00 ATOM 951 C TYR 119 23.958 70.698 24.881 1.00 0.00 ATOM 952 N PRO 120 24.784 70.121 25.775 1.00 0.00 ATOM 953 CA PRO 120 24.442 68.784 26.262 1.00 0.00 ATOM 954 CB PRO 120 25.739 68.339 26.970 1.00 0.00 ATOM 955 CG PRO 120 26.355 69.621 27.450 1.00 0.00 ATOM 956 CD PRO 120 26.032 70.639 26.367 1.00 0.00 ATOM 957 O PRO 120 22.674 67.625 27.389 1.00 0.00 ATOM 958 C PRO 120 23.230 68.704 27.212 1.00 0.00 ATOM 959 N LEU 121 22.824 69.805 27.841 1.00 0.00 ATOM 960 CA LEU 121 21.695 69.733 28.789 1.00 0.00 ATOM 961 CB LEU 121 21.951 70.566 30.061 1.00 0.00 ATOM 962 CG LEU 121 23.124 70.163 30.955 1.00 0.00 ATOM 963 CD1 LEU 121 23.161 71.048 32.216 1.00 0.00 ATOM 964 CD2 LEU 121 23.034 68.663 31.335 1.00 0.00 ATOM 965 O LEU 121 19.332 70.231 28.774 1.00 0.00 ATOM 966 C LEU 121 20.391 70.167 28.120 1.00 0.00 ATOM 967 N THR 122 20.489 70.449 26.818 1.00 0.00 ATOM 968 CA THR 122 19.397 71.027 26.019 1.00 0.00 ATOM 969 CB THR 122 19.969 71.995 24.975 1.00 0.00 ATOM 970 CG2 THR 122 18.841 72.701 24.206 1.00 0.00 ATOM 971 OG1 THR 122 20.785 72.970 25.632 1.00 0.00 ATOM 972 O THR 122 19.077 69.067 24.646 1.00 0.00 ATOM 973 C THR 122 18.552 69.959 25.315 1.00 0.00 ATOM 974 N GLU 123 17.234 70.068 25.450 1.00 0.00 ATOM 975 CA GLU 123 16.340 69.126 24.812 1.00 0.00 ATOM 976 CB GLU 123 15.029 69.082 25.565 1.00 0.00 ATOM 977 CG GLU 123 15.194 68.545 26.974 1.00 0.00 ATOM 978 CD GLU 123 13.911 68.536 27.767 1.00 0.00 ATOM 979 OE1 GLU 123 12.847 68.941 27.236 1.00 0.00 ATOM 980 OE2 GLU 123 13.974 68.107 28.938 1.00 0.00 ATOM 981 O GLU 123 15.934 70.798 23.163 1.00 0.00 ATOM 982 C GLU 123 16.077 69.592 23.405 1.00 0.00 ATOM 983 N ILE 124 16.024 68.656 22.477 1.00 0.00 ATOM 984 CA ILE 124 15.649 68.954 21.102 1.00 0.00 ATOM 985 CB ILE 124 16.621 68.338 20.063 1.00 0.00 ATOM 986 CG1 ILE 124 18.018 68.943 20.220 1.00 0.00 ATOM 987 CG2 ILE 124 16.087 68.528 18.657 1.00 0.00 ATOM 988 CD1 ILE 124 19.138 68.046 19.674 1.00 0.00 ATOM 989 O ILE 124 13.983 67.260 21.227 1.00 0.00 ATOM 990 C ILE 124 14.246 68.416 20.889 1.00 0.00 ATOM 991 N LYS 125 13.351 69.272 20.387 1.00 0.00 ATOM 992 CA LYS 125 12.002 68.856 20.033 1.00 0.00 ATOM 993 CB LYS 125 10.965 69.796 20.663 1.00 0.00 ATOM 994 CG LYS 125 11.043 69.901 22.208 1.00 0.00 ATOM 995 CD LYS 125 10.963 68.548 22.884 1.00 0.00 ATOM 996 CE LYS 125 11.025 68.701 24.410 1.00 0.00 ATOM 997 NZ LYS 125 11.246 67.364 25.052 1.00 0.00 ATOM 998 O LYS 125 11.926 69.953 17.925 1.00 0.00 ATOM 999 C LYS 125 11.890 68.880 18.520 1.00 0.00 ATOM 1000 N LEU 126 11.849 67.698 17.902 1.00 0.00 ATOM 1001 CA LEU 126 11.833 67.553 16.456 1.00 0.00 ATOM 1002 CB LEU 126 12.595 66.284 16.040 1.00 0.00 ATOM 1003 CG LEU 126 12.638 65.980 14.531 1.00 0.00 ATOM 1004 CD1 LEU 126 13.313 67.145 13.755 1.00 0.00 ATOM 1005 CD2 LEU 126 13.360 64.636 14.308 1.00 0.00 ATOM 1006 O LEU 126 9.734 66.414 16.268 1.00 0.00 ATOM 1007 C LEU 126 10.377 67.442 16.027 1.00 0.00 ATOM 1008 N LEU 127 9.856 68.515 15.427 1.00 0.00 ATOM 1009 CA LEU 127 8.446 68.505 15.042 1.00 0.00 ATOM 1010 CB LEU 127 7.915 69.918 14.727 1.00 0.00 ATOM 1011 CG LEU 127 7.365 70.667 15.930 1.00 0.00 ATOM 1012 CD1 LEU 127 8.441 70.952 16.981 1.00 0.00 ATOM 1013 CD2 LEU 127 6.728 71.944 15.383 1.00 0.00 ATOM 1014 O LEU 127 8.980 67.637 12.874 1.00 0.00 ATOM 1015 C LEU 127 8.188 67.656 13.807 1.00 0.00 ATOM 1016 N SER 128 7.029 67.009 13.762 1.00 0.00 ATOM 1017 CA SER 128 6.581 66.474 12.499 1.00 0.00 ATOM 1018 CB SER 128 5.191 65.831 12.687 1.00 0.00 ATOM 1019 OG SER 128 4.259 66.798 13.146 1.00 0.00 ATOM 1020 O SER 128 6.052 68.711 11.794 1.00 0.00 ATOM 1021 C SER 128 6.481 67.583 11.474 1.00 0.00 ATOM 1022 N ILE 129 6.873 67.292 10.243 1.00 0.00 ATOM 1023 CA ILE 129 6.564 68.220 9.138 1.00 0.00 ATOM 1024 CB ILE 129 7.115 67.657 7.802 1.00 0.00 ATOM 1025 CG1 ILE 129 8.646 67.517 7.891 1.00 0.00 ATOM 1026 CG2 ILE 129 6.700 68.517 6.609 1.00 0.00 ATOM 1027 CD1 ILE 129 9.272 66.616 6.796 1.00 0.00 ATOM 1028 O ILE 129 4.275 67.436 9.226 1.00 0.00 ATOM 1029 C ILE 129 5.040 68.404 9.071 1.00 0.00 ATOM 1030 N LEU 130 4.599 69.628 8.807 1.00 0.00 ATOM 1031 CA LEU 130 3.173 69.905 8.851 1.00 0.00 ATOM 1032 CB LEU 130 2.946 71.404 9.014 1.00 0.00 ATOM 1033 CG LEU 130 3.622 72.063 10.223 1.00 0.00 ATOM 1034 CD1 LEU 130 3.119 73.491 10.391 1.00 0.00 ATOM 1035 CD2 LEU 130 3.421 71.275 11.478 1.00 0.00 ATOM 1036 O LEU 130 3.083 69.310 6.528 1.00 0.00 ATOM 1037 C LEU 130 2.466 69.442 7.573 1.00 0.00 ATOM 1038 N PRO 131 1.147 69.220 7.658 1.00 0.00 ATOM 1039 CA PRO 131 0.434 68.831 6.447 1.00 0.00 ATOM 1040 CB PRO 131 -0.997 68.469 6.960 1.00 0.00 ATOM 1041 CG PRO 131 -1.133 69.184 8.257 1.00 0.00 ATOM 1042 CD PRO 131 0.265 69.301 8.838 1.00 0.00 ATOM 1043 O PRO 131 0.496 71.144 5.867 1.00 0.00 ATOM 1044 C PRO 131 0.322 69.991 5.474 1.00 0.00 ATOM 1045 N VAL 132 0.026 69.668 4.216 1.00 0.00 ATOM 1046 CA VAL 132 -0.285 70.684 3.212 1.00 0.00 ATOM 1047 CB VAL 132 0.648 70.549 1.977 1.00 0.00 ATOM 1048 CG1 VAL 132 2.089 70.889 2.352 1.00 0.00 ATOM 1049 CG2 VAL 132 0.578 69.130 1.379 1.00 0.00 ATOM 1050 O VAL 132 -2.346 69.429 3.125 1.00 0.00 ATOM 1051 C VAL 132 -1.731 70.471 2.787 1.00 0.00 ATOM 1052 N ASN 133 -2.266 71.445 2.047 1.00 0.00 ATOM 1053 CA ASN 133 -3.573 71.254 1.425 1.00 0.00 ATOM 1054 CB ASN 133 -4.516 72.405 1.754 1.00 0.00 ATOM 1055 CG ASN 133 -5.927 72.097 1.326 1.00 0.00 ATOM 1056 ND2 ASN 133 -6.872 72.145 2.270 1.00 0.00 ATOM 1057 OD1 ASN 133 -6.160 71.800 0.158 1.00 0.00 ATOM 1058 O ASN 133 -2.861 71.910 -0.789 1.00 0.00 ATOM 1059 C ASN 133 -3.397 71.042 -0.089 1.00 0.00 ATOM 1060 N GLU 134 -3.814 69.868 -0.580 1.00 0.00 ATOM 1061 CA GLU 134 -3.482 69.421 -1.945 1.00 0.00 ATOM 1062 CB GLU 134 -3.420 67.879 -1.992 1.00 0.00 ATOM 1063 CG GLU 134 -2.228 67.279 -1.243 1.00 0.00 ATOM 1064 CD GLU 134 -2.395 65.795 -0.944 1.00 0.00 ATOM 1065 OE1 GLU 134 -3.505 65.251 -1.161 1.00 0.00 ATOM 1066 OE2 GLU 134 -1.423 65.154 -0.506 1.00 0.00 ATOM 1067 O GLU 134 -4.229 69.629 -4.227 1.00 0.00 ATOM 1068 C GLU 134 -4.422 69.936 -3.034 1.00 0.00 ATOM 1069 N ARG 135 -5.428 70.713 -2.643 1.00 0.00 ATOM 1070 CA ARG 135 -6.398 71.244 -3.614 1.00 0.00 ATOM 1071 CB ARG 135 -7.491 72.021 -2.909 1.00 0.00 ATOM 1072 CG ARG 135 -8.375 71.147 -2.039 1.00 0.00 ATOM 1073 CD ARG 135 -9.293 72.011 -1.207 1.00 0.00 ATOM 1074 NE ARG 135 -10.019 72.968 -2.045 1.00 0.00 ATOM 1075 CZ ARG 135 -11.162 72.701 -2.683 1.00 0.00 ATOM 1076 NH1 ARG 135 -11.722 71.498 -2.594 1.00 0.00 ATOM 1077 NH2 ARG 135 -11.743 73.640 -3.423 1.00 0.00 ATOM 1078 O ARG 135 -4.720 72.758 -4.423 1.00 0.00 ATOM 1079 C ARG 135 -5.725 72.103 -4.680 1.00 0.00 ATOM 1080 N GLU 136 -6.272 72.080 -5.895 1.00 0.00 ATOM 1081 CA GLU 136 -5.602 72.759 -7.009 1.00 0.00 ATOM 1082 CB GLU 136 -6.362 72.554 -8.321 1.00 0.00 ATOM 1083 CG GLU 136 -5.611 73.033 -9.590 1.00 0.00 ATOM 1084 CD GLU 136 -4.178 72.467 -9.742 1.00 0.00 ATOM 1085 OE1 GLU 136 -3.868 71.365 -9.214 1.00 0.00 ATOM 1086 OE2 GLU 136 -3.352 73.149 -10.403 1.00 0.00 ATOM 1087 O GLU 136 -4.373 74.808 -7.201 1.00 0.00 ATOM 1088 C GLU 136 -5.380 74.244 -6.762 1.00 0.00 ATOM 1089 N GLU 137 -6.300 74.867 -6.029 1.00 0.00 ATOM 1090 CA GLU 137 -6.199 76.299 -5.749 1.00 0.00 ATOM 1091 CB GLU 137 -7.432 76.800 -4.988 1.00 0.00 ATOM 1092 CG GLU 137 -7.561 76.206 -3.583 1.00 0.00 ATOM 1093 CD GLU 137 -8.803 76.666 -2.858 1.00 0.00 ATOM 1094 OE1 GLU 137 -8.980 77.904 -2.738 1.00 0.00 ATOM 1095 OE2 GLU 137 -9.593 75.789 -2.405 1.00 0.00 ATOM 1096 O GLU 137 -4.500 77.831 -5.018 1.00 0.00 ATOM 1097 C GLU 137 -4.913 76.673 -4.995 1.00 0.00 ATOM 1098 N TYR 138 -4.294 75.697 -4.322 1.00 0.00 ATOM 1099 CA TYR 138 -3.077 75.940 -3.540 1.00 0.00 ATOM 1100 CB TYR 138 -3.198 75.303 -2.160 1.00 0.00 ATOM 1101 CG TYR 138 -4.350 75.767 -1.324 1.00 0.00 ATOM 1102 CD1 TYR 138 -4.512 77.107 -0.967 1.00 0.00 ATOM 1103 CD2 TYR 138 -5.250 74.846 -0.842 1.00 0.00 ATOM 1104 CE1 TYR 138 -5.570 77.506 -0.128 1.00 0.00 ATOM 1105 CE2 TYR 138 -6.318 75.232 -0.031 1.00 0.00 ATOM 1106 CZ TYR 138 -6.462 76.555 0.323 1.00 0.00 ATOM 1107 OH TYR 138 -7.535 76.906 1.122 1.00 0.00 ATOM 1108 O TYR 138 -0.713 75.467 -3.581 1.00 0.00 ATOM 1109 C TYR 138 -1.791 75.438 -4.193 1.00 0.00 ATOM 1110 N GLN 139 -1.881 75.023 -5.455 1.00 0.00 ATOM 1111 CA GLN 139 -0.732 74.358 -6.083 1.00 0.00 ATOM 1112 CB GLN 139 -1.140 73.666 -7.383 1.00 0.00 ATOM 1113 CG GLN 139 -1.400 72.162 -7.192 1.00 0.00 ATOM 1114 CD GLN 139 -0.106 71.350 -6.930 1.00 0.00 ATOM 1115 OE1 GLN 139 0.661 71.071 -7.865 1.00 0.00 ATOM 1116 NE2 GLN 139 0.114 70.946 -5.672 1.00 0.00 ATOM 1117 O GLN 139 1.640 74.656 -6.310 1.00 0.00 ATOM 1118 C GLN 139 0.533 75.203 -6.267 1.00 0.00 ATOM 1119 N GLN 140 0.387 76.528 -6.337 1.00 0.00 ATOM 1120 CA GLN 140 1.543 77.432 -6.491 1.00 0.00 ATOM 1121 CB GLN 140 1.086 78.863 -6.760 1.00 0.00 ATOM 1122 CG GLN 140 0.374 79.054 -8.080 1.00 0.00 ATOM 1123 CD GLN 140 -0.378 80.372 -8.155 1.00 0.00 ATOM 1124 OE1 GLN 140 -0.958 80.836 -7.162 1.00 0.00 ATOM 1125 NE2 GLN 140 -0.375 80.982 -9.335 1.00 0.00 ATOM 1126 O GLN 140 3.702 77.710 -5.446 1.00 0.00 ATOM 1127 C GLN 140 2.500 77.439 -5.293 1.00 0.00 ATOM 1128 N ALA 141 1.969 77.182 -4.098 1.00 0.00 ATOM 1129 CA ALA 141 2.804 77.075 -2.902 1.00 0.00 ATOM 1130 CB ALA 141 2.116 77.711 -1.712 1.00 0.00 ATOM 1131 O ALA 141 4.211 75.277 -2.210 1.00 0.00 ATOM 1132 C ALA 141 3.102 75.617 -2.615 1.00 0.00 ATOM 1133 N VAL 142 2.100 74.761 -2.792 1.00 0.00 ATOM 1134 CA VAL 142 2.255 73.359 -2.359 1.00 0.00 ATOM 1135 CB VAL 142 0.868 72.689 -2.133 1.00 0.00 ATOM 1136 CG1 VAL 142 0.983 71.172 -1.852 1.00 0.00 ATOM 1137 CG2 VAL 142 0.130 73.418 -1.003 1.00 0.00 ATOM 1138 O VAL 142 3.979 71.765 -2.845 1.00 0.00 ATOM 1139 C VAL 142 3.164 72.558 -3.305 1.00 0.00 ATOM 1140 N TYR 143 3.017 72.778 -4.616 1.00 0.00 ATOM 1141 CA TYR 143 3.914 72.186 -5.598 1.00 0.00 ATOM 1142 CB TYR 143 5.309 72.796 -5.465 1.00 0.00 ATOM 1143 CG TYR 143 6.271 72.452 -6.575 1.00 0.00 ATOM 1144 CD1 TYR 143 5.910 72.582 -7.912 1.00 0.00 ATOM 1145 CD2 TYR 143 7.558 72.035 -6.279 1.00 0.00 ATOM 1146 CE1 TYR 143 6.801 72.259 -8.928 1.00 0.00 ATOM 1147 CE2 TYR 143 8.444 71.722 -7.279 1.00 0.00 ATOM 1148 CZ TYR 143 8.066 71.852 -8.604 1.00 0.00 ATOM 1149 OH TYR 143 8.970 71.563 -9.603 1.00 0.00 ATOM 1150 O TYR 143 2.808 70.073 -5.314 1.00 0.00 ATOM 1151 C TYR 143 3.890 70.656 -5.446 1.00 0.00 ATOM 1152 N ILE 144 5.047 69.990 -5.438 1.00 0.00 ATOM 1153 CA ILE 144 5.068 68.528 -5.467 1.00 0.00 ATOM 1154 CB ILE 144 6.343 67.982 -6.180 1.00 0.00 ATOM 1155 CG1 ILE 144 7.596 68.402 -5.392 1.00 0.00 ATOM 1156 CG2 ILE 144 6.341 68.426 -7.652 1.00 0.00 ATOM 1157 CD1 ILE 144 8.904 67.708 -5.822 1.00 0.00 ATOM 1158 O ILE 144 4.939 66.659 -3.976 1.00 0.00 ATOM 1159 C ILE 144 4.899 67.885 -4.091 1.00 0.00 ATOM 1160 N ARG 145 4.700 68.698 -3.052 1.00 0.00 ATOM 1161 CA ARG 145 4.478 68.127 -1.721 1.00 0.00 ATOM 1162 CB ARG 145 4.452 69.224 -0.659 1.00 0.00 ATOM 1163 CG ARG 145 5.720 70.063 -0.578 1.00 0.00 ATOM 1164 CD ARG 145 5.528 71.289 0.295 1.00 0.00 ATOM 1165 NE ARG 145 6.731 72.123 0.355 1.00 0.00 ATOM 1166 CZ ARG 145 7.119 72.944 -0.619 1.00 0.00 ATOM 1167 NH1 ARG 145 6.407 73.051 -1.752 1.00 0.00 ATOM 1168 NH2 ARG 145 8.231 73.658 -0.470 1.00 0.00 ATOM 1169 O ARG 145 2.185 67.831 -2.266 1.00 0.00 ATOM 1170 C ARG 145 3.165 67.383 -1.676 1.00 0.00 ATOM 1171 N SER 146 3.147 66.243 -0.994 1.00 0.00 ATOM 1172 CA SER 146 1.904 65.521 -0.753 1.00 0.00 ATOM 1173 CB SER 146 1.795 64.325 -1.698 1.00 0.00 ATOM 1174 OG SER 146 2.656 63.276 -1.298 1.00 0.00 ATOM 1175 O SER 146 2.953 64.883 1.335 1.00 0.00 ATOM 1176 C SER 146 1.895 65.077 0.711 1.00 0.00 ATOM 1177 N ASN 147 0.694 64.909 1.248 1.00 0.00 ATOM 1178 CA ASN 147 0.580 64.391 2.609 1.00 0.00 ATOM 1179 CB ASN 147 -0.824 64.651 3.155 1.00 0.00 ATOM 1180 CG ASN 147 -1.080 66.128 3.300 1.00 0.00 ATOM 1181 ND2 ASN 147 -2.120 66.647 2.659 1.00 0.00 ATOM 1182 OD1 ASN 147 -0.287 66.811 3.948 1.00 0.00 ATOM 1183 O ASN 147 1.541 62.577 3.857 1.00 0.00 ATOM 1184 C ASN 147 1.070 62.952 2.774 1.00 0.00 ATOM 1185 N GLU 148 0.989 62.161 1.709 1.00 0.00 ATOM 1186 CA GLU 148 1.565 60.827 1.787 1.00 0.00 ATOM 1187 CB GLU 148 1.159 59.983 0.579 1.00 0.00 ATOM 1188 CG GLU 148 -0.134 59.147 0.810 1.00 0.00 ATOM 1189 CD GLU 148 -1.287 59.888 1.520 1.00 0.00 ATOM 1190 OE1 GLU 148 -1.508 59.625 2.731 1.00 0.00 ATOM 1191 OE2 GLU 148 -1.990 60.724 0.886 1.00 0.00 ATOM 1192 O GLU 148 3.620 60.190 2.877 1.00 0.00 ATOM 1193 C GLU 148 3.084 60.895 2.004 1.00 0.00 ATOM 1194 N LYS 149 3.760 61.756 1.241 1.00 0.00 ATOM 1195 CA LYS 149 5.203 61.957 1.384 1.00 0.00 ATOM 1196 CB LYS 149 5.710 62.991 0.378 1.00 0.00 ATOM 1197 CG LYS 149 5.783 62.483 -1.038 1.00 0.00 ATOM 1198 CD LYS 149 6.785 63.306 -1.811 1.00 0.00 ATOM 1199 CE LYS 149 6.131 64.366 -2.651 1.00 0.00 ATOM 1200 NZ LYS 149 6.671 64.253 -4.083 1.00 0.00 ATOM 1201 O LYS 149 6.361 61.879 3.478 1.00 0.00 ATOM 1202 C LYS 149 5.516 62.437 2.786 1.00 0.00 ATOM 1203 N ILE 150 4.813 63.484 3.199 1.00 0.00 ATOM 1204 CA ILE 150 5.047 64.087 4.509 1.00 0.00 ATOM 1205 CB ILE 150 4.139 65.308 4.710 1.00 0.00 ATOM 1206 CG1 ILE 150 4.584 66.402 3.735 1.00 0.00 ATOM 1207 CG2 ILE 150 4.155 65.780 6.185 1.00 0.00 ATOM 1208 CD1 ILE 150 3.559 67.522 3.558 1.00 0.00 ATOM 1209 O ILE 150 5.736 62.999 6.558 1.00 0.00 ATOM 1210 C ILE 150 4.891 63.060 5.640 1.00 0.00 ATOM 1211 N GLN 151 3.852 62.229 5.559 1.00 0.00 ATOM 1212 CA GLN 151 3.663 61.237 6.620 1.00 0.00 ATOM 1213 CB GLN 151 2.281 60.584 6.535 1.00 0.00 ATOM 1214 CG GLN 151 1.216 61.527 6.999 1.00 0.00 ATOM 1215 CD GLN 151 -0.154 60.927 6.971 1.00 0.00 ATOM 1216 OE1 GLN 151 -0.727 60.632 8.016 1.00 0.00 ATOM 1217 NE2 GLN 151 -0.701 60.754 5.774 1.00 0.00 ATOM 1218 O GLN 151 5.208 59.731 7.671 1.00 0.00 ATOM 1219 C GLN 151 4.790 60.206 6.614 1.00 0.00 ATOM 1220 N ASN 152 5.278 59.852 5.429 1.00 0.00 ATOM 1221 CA ASN 152 6.406 58.912 5.344 1.00 0.00 ATOM 1222 CB ASN 152 6.654 58.497 3.888 1.00 0.00 ATOM 1223 CG ASN 152 5.574 57.581 3.342 1.00 0.00 ATOM 1224 ND2 ASN 152 5.405 57.575 2.022 1.00 0.00 ATOM 1225 OD1 ASN 152 4.895 56.897 4.096 1.00 0.00 ATOM 1226 O ASN 152 8.417 58.843 6.669 1.00 0.00 ATOM 1227 C ASN 152 7.679 59.518 5.950 1.00 0.00 ATOM 1228 N TRP 153 7.942 60.796 5.655 1.00 0.00 ATOM 1229 CA TRP 153 9.086 61.481 6.268 1.00 0.00 ATOM 1230 CB TRP 153 9.307 62.878 5.661 1.00 0.00 ATOM 1231 CG TRP 153 9.977 62.834 4.289 1.00 0.00 ATOM 1232 CD1 TRP 153 9.666 62.002 3.258 1.00 0.00 ATOM 1233 CD2 TRP 153 11.054 63.665 3.829 1.00 0.00 ATOM 1234 CE2 TRP 153 11.352 63.267 2.503 1.00 0.00 ATOM 1235 CE3 TRP 153 11.803 64.692 4.419 1.00 0.00 ATOM 1236 NE1 TRP 153 10.501 62.248 2.175 1.00 0.00 ATOM 1237 CZ2 TRP 153 12.360 63.876 1.751 1.00 0.00 ATOM 1238 CZ3 TRP 153 12.794 65.297 3.685 1.00 0.00 ATOM 1239 CH2 TRP 153 13.073 64.887 2.365 1.00 0.00 ATOM 1240 O TRP 153 9.849 61.416 8.530 1.00 0.00 ATOM 1241 C TRP 153 8.895 61.577 7.777 1.00 0.00 ATOM 1242 N ASN 154 7.665 61.836 8.226 1.00 0.00 ATOM 1243 CA ASN 154 7.445 61.926 9.648 1.00 0.00 ATOM 1244 CB ASN 154 6.049 62.448 9.950 1.00 0.00 ATOM 1245 CG ASN 154 5.943 63.919 9.654 1.00 0.00 ATOM 1246 ND2 ASN 154 4.708 64.426 9.474 1.00 0.00 ATOM 1247 OD1 ASN 154 6.965 64.614 9.650 1.00 0.00 ATOM 1248 O ASN 154 8.235 60.614 11.500 1.00 0.00 ATOM 1249 C ASN 154 7.711 60.601 10.372 1.00 0.00 ATOM 1250 N GLN 155 7.407 59.482 9.715 1.00 0.00 ATOM 1251 CA GLN 155 7.758 58.181 10.293 1.00 0.00 ATOM 1252 CB GLN 155 7.201 57.032 9.437 1.00 0.00 ATOM 1253 CG GLN 155 7.554 55.651 9.991 1.00 0.00 ATOM 1254 CD GLN 155 7.273 55.548 11.497 1.00 0.00 ATOM 1255 OE1 GLN 155 6.136 55.781 11.955 1.00 0.00 ATOM 1256 NE2 GLN 155 8.313 55.215 12.279 1.00 0.00 ATOM 1257 O GLN 155 9.734 57.614 11.538 1.00 0.00 ATOM 1258 C GLN 155 9.264 58.063 10.486 1.00 0.00 ATOM 1259 N ALA 156 10.019 58.517 9.497 1.00 0.00 ATOM 1260 CA ALA 156 11.468 58.504 9.572 1.00 0.00 ATOM 1261 CB ALA 156 12.087 58.812 8.203 1.00 0.00 ATOM 1262 O ALA 156 12.974 59.155 11.339 1.00 0.00 ATOM 1263 C ALA 156 11.989 59.458 10.647 1.00 0.00 ATOM 1264 N TYR 157 11.348 60.620 10.772 1.00 0.00 ATOM 1265 CA TYR 157 11.755 61.533 11.840 1.00 0.00 ATOM 1266 CB TYR 157 10.955 62.842 11.787 1.00 0.00 ATOM 1267 CG TYR 157 11.414 63.899 10.792 1.00 0.00 ATOM 1268 CD1 TYR 157 12.051 63.555 9.578 1.00 0.00 ATOM 1269 CD2 TYR 157 11.132 65.250 11.029 1.00 0.00 ATOM 1270 CE1 TYR 157 12.433 64.540 8.661 1.00 0.00 ATOM 1271 CE2 TYR 157 11.526 66.238 10.126 1.00 0.00 ATOM 1272 CZ TYR 157 12.156 65.878 8.947 1.00 0.00 ATOM 1273 OH TYR 157 12.539 66.833 8.020 1.00 0.00 ATOM 1274 O TYR 157 12.364 61.059 14.095 1.00 0.00 ATOM 1275 C TYR 157 11.548 60.893 13.208 1.00 0.00 ATOM 1276 N GLN 158 10.408 60.226 13.387 1.00 0.00 ATOM 1277 CA GLN 158 10.099 59.570 14.643 1.00 0.00 ATOM 1278 CB GLN 158 8.711 58.929 14.594 1.00 0.00 ATOM 1279 CG GLN 158 8.238 58.379 15.935 1.00 0.00 ATOM 1280 CD GLN 158 6.810 57.825 15.847 1.00 0.00 ATOM 1281 OE1 GLN 158 6.386 57.306 14.805 1.00 0.00 ATOM 1282 NE2 GLN 158 6.067 57.926 16.952 1.00 0.00 ATOM 1283 O GLN 158 11.621 58.400 16.077 1.00 0.00 ATOM 1284 C GLN 158 11.169 58.531 14.938 1.00 0.00 ATOM 1285 N GLU 159 11.608 57.807 13.912 1.00 0.00 ATOM 1286 CA GLU 159 12.613 56.751 14.143 1.00 0.00 ATOM 1287 CB GLU 159 12.741 55.868 12.909 1.00 0.00 ATOM 1288 CG GLU 159 11.508 55.012 12.691 1.00 0.00 ATOM 1289 CD GLU 159 11.567 54.149 11.441 1.00 0.00 ATOM 1290 OE1 GLU 159 12.686 53.843 10.957 1.00 0.00 ATOM 1291 OE2 GLU 159 10.477 53.749 10.967 1.00 0.00 ATOM 1292 O GLU 159 14.658 56.872 15.423 1.00 0.00 ATOM 1293 C GLU 159 13.962 57.355 14.532 1.00 0.00 ATOM 1294 N LEU 160 14.320 58.452 13.870 1.00 0.00 ATOM 1295 CA LEU 160 15.561 59.131 14.183 1.00 0.00 ATOM 1296 CB LEU 160 15.842 60.270 13.180 1.00 0.00 ATOM 1297 CG LEU 160 17.066 61.136 13.467 1.00 0.00 ATOM 1298 CD1 LEU 160 18.362 60.340 13.416 1.00 0.00 ATOM 1299 CD2 LEU 160 17.103 62.308 12.468 1.00 0.00 ATOM 1300 O LEU 160 16.493 59.467 16.362 1.00 0.00 ATOM 1301 C LEU 160 15.525 59.654 15.626 1.00 0.00 ATOM 1302 N ALA 161 14.405 60.273 16.031 1.00 0.00 ATOM 1303 CA ALA 161 14.237 60.763 17.408 1.00 0.00 ATOM 1304 CB ALA 161 12.859 61.364 17.614 1.00 0.00 ATOM 1305 O ALA 161 15.012 59.920 19.503 1.00 0.00 ATOM 1306 C ALA 161 14.457 59.655 18.442 1.00 0.00 ATOM 1307 N SER 162 14.019 58.435 18.123 1.00 0.00 ATOM 1308 CA SER 162 14.157 57.296 19.055 1.00 0.00 ATOM 1309 CB SER 162 13.348 56.081 18.579 1.00 0.00 ATOM 1310 OG SER 162 14.008 55.405 17.528 1.00 0.00 ATOM 1311 O SER 162 15.898 56.150 20.256 1.00 0.00 ATOM 1312 C SER 162 15.614 56.895 19.321 1.00 0.00 ATOM 1313 N ALA 163 16.535 57.398 18.504 1.00 0.00 ATOM 1314 CA ALA 163 17.939 57.016 18.632 1.00 0.00 ATOM 1315 CB ALA 163 18.560 56.805 17.266 1.00 0.00 ATOM 1316 O ALA 163 19.945 57.780 19.666 1.00 0.00 ATOM 1317 C ALA 163 18.749 57.989 19.480 1.00 0.00 ATOM 1318 N TYR 164 18.104 59.046 19.986 1.00 0.00 ATOM 1319 CA TYR 164 18.783 60.069 20.819 1.00 0.00 ATOM 1320 CB TYR 164 19.033 61.326 19.971 1.00 0.00 ATOM 1321 CG TYR 164 20.019 61.040 18.875 1.00 0.00 ATOM 1322 CD1 TYR 164 21.396 61.079 19.145 1.00 0.00 ATOM 1323 CD2 TYR 164 19.606 60.644 17.608 1.00 0.00 ATOM 1324 CE1 TYR 164 22.336 60.766 18.171 1.00 0.00 ATOM 1325 CE2 TYR 164 20.547 60.317 16.619 1.00 0.00 ATOM 1326 CZ TYR 164 21.912 60.392 16.917 1.00 0.00 ATOM 1327 OH TYR 164 22.853 60.076 15.971 1.00 0.00 ATOM 1328 O TYR 164 16.773 60.840 21.820 1.00 0.00 ATOM 1329 C TYR 164 17.906 60.405 22.024 1.00 0.00 ATOM 1330 N MET 165 18.411 60.189 23.251 1.00 0.00 ATOM 1331 CA MET 165 17.639 60.479 24.469 1.00 0.00 ATOM 1332 CB MET 165 18.373 60.050 25.746 1.00 0.00 ATOM 1333 CG MET 165 18.505 58.563 25.881 1.00 0.00 ATOM 1334 SD MET 165 16.810 57.577 25.828 1.00 0.00 ATOM 1335 CE MET 165 15.875 58.406 27.373 1.00 0.00 ATOM 1336 O MET 165 16.201 62.289 25.047 1.00 0.00 ATOM 1337 C MET 165 17.264 61.957 24.533 1.00 0.00 ATOM 1338 N GLN 166 18.123 62.824 23.972 1.00 0.00 ATOM 1339 CA GLN 166 17.905 64.291 24.003 1.00 0.00 ATOM 1340 CB GLN 166 19.223 65.070 23.718 1.00 0.00 ATOM 1341 CG GLN 166 20.345 65.018 24.810 1.00 0.00 ATOM 1342 CD GLN 166 21.699 65.581 24.286 1.00 0.00 ATOM 1343 OE1 GLN 166 21.868 65.794 23.076 1.00 0.00 ATOM 1344 NE2 GLN 166 22.638 65.840 25.193 1.00 0.00 ATOM 1345 O GLN 166 16.340 65.915 23.101 1.00 0.00 ATOM 1346 C GLN 166 16.805 64.761 23.027 1.00 0.00 ATOM 1347 N VAL 167 16.388 63.891 22.109 1.00 0.00 ATOM 1348 CA VAL 167 15.440 64.312 21.058 1.00 0.00 ATOM 1349 CB VAL 167 15.910 63.876 19.637 1.00 0.00 ATOM 1350 CG1 VAL 167 14.904 64.287 18.553 1.00 0.00 ATOM 1351 CG2 VAL 167 17.302 64.428 19.337 1.00 0.00 ATOM 1352 O VAL 167 13.985 62.467 21.471 1.00 0.00 ATOM 1353 C VAL 167 14.088 63.694 21.308 1.00 0.00 ATOM 1354 N GLU 168 13.063 64.539 21.323 1.00 0.00 ATOM 1355 CA GLU 168 11.684 64.066 21.377 1.00 0.00 ATOM 1356 CB GLU 168 10.933 64.687 22.574 1.00 0.00 ATOM 1357 CG GLU 168 9.482 64.190 22.657 1.00 0.00 ATOM 1358 CD GLU 168 8.742 64.680 23.877 1.00 0.00 ATOM 1359 OE1 GLU 168 9.059 65.759 24.420 1.00 0.00 ATOM 1360 OE2 GLU 168 7.829 63.935 24.320 1.00 0.00 ATOM 1361 O GLU 168 10.973 65.634 19.712 1.00 0.00 ATOM 1362 C GLU 168 10.976 64.457 20.071 1.00 0.00 ATOM 1363 N PHE 169 10.370 63.474 19.397 1.00 0.00 ATOM 1364 CA PHE 169 9.497 63.741 18.250 1.00 0.00 ATOM 1365 CB PHE 169 9.251 62.451 17.467 1.00 0.00 ATOM 1366 CG PHE 169 8.378 62.621 16.253 1.00 0.00 ATOM 1367 CD1 PHE 169 8.851 63.275 15.123 1.00 0.00 ATOM 1368 CD2 PHE 169 7.099 62.082 16.250 1.00 0.00 ATOM 1369 CE1 PHE 169 8.046 63.403 14.002 1.00 0.00 ATOM 1370 CE2 PHE 169 6.283 62.211 15.146 1.00 0.00 ATOM 1371 CZ PHE 169 6.751 62.869 14.023 1.00 0.00 ATOM 1372 O PHE 169 7.587 63.826 19.726 1.00 0.00 ATOM 1373 C PHE 169 8.183 64.326 18.753 1.00 0.00 ATOM 1374 N VAL 170 7.743 65.386 18.082 1.00 0.00 ATOM 1375 CA VAL 170 6.544 66.109 18.493 1.00 0.00 ATOM 1376 CB VAL 170 6.859 67.605 18.785 1.00 0.00 ATOM 1377 CG1 VAL 170 5.559 68.336 19.209 1.00 0.00 ATOM 1378 CG2 VAL 170 7.936 67.722 19.882 1.00 0.00 ATOM 1379 O VAL 170 5.596 66.632 16.328 1.00 0.00 ATOM 1380 C VAL 170 5.496 65.969 17.377 1.00 0.00 ATOM 1381 N PRO 171 4.501 65.096 17.585 1.00 0.00 ATOM 1382 CA PRO 171 3.533 64.820 16.535 1.00 0.00 ATOM 1383 CB PRO 171 2.968 63.459 16.925 1.00 0.00 ATOM 1384 CG PRO 171 3.046 63.421 18.415 1.00 0.00 ATOM 1385 CD PRO 171 4.275 64.270 18.797 1.00 0.00 ATOM 1386 O PRO 171 1.456 65.755 17.258 1.00 0.00 ATOM 1387 C PRO 171 2.446 65.861 16.511 1.00 0.00 ATOM 1388 N VAL 172 2.640 66.872 15.670 1.00 0.00 ATOM 1389 CA VAL 172 1.621 67.933 15.513 1.00 0.00 ATOM 1390 CB VAL 172 2.215 69.361 15.723 1.00 0.00 ATOM 1391 CG1 VAL 172 2.633 69.552 17.205 1.00 0.00 ATOM 1392 CG2 VAL 172 3.361 69.633 14.746 1.00 0.00 ATOM 1393 O VAL 172 -0.196 68.560 14.049 1.00 0.00 ATOM 1394 C VAL 172 0.835 67.859 14.200 1.00 0.00 ATOM 1395 N PHE 173 1.279 67.015 13.266 1.00 0.00 ATOM 1396 CA PHE 173 0.613 66.877 11.953 1.00 0.00 ATOM 1397 CB PHE 173 1.252 65.679 11.222 1.00 0.00 ATOM 1398 CG PHE 173 0.671 65.367 9.858 1.00 0.00 ATOM 1399 CD1 PHE 173 1.325 65.772 8.694 1.00 0.00 ATOM 1400 CD2 PHE 173 -0.504 64.627 9.746 1.00 0.00 ATOM 1401 CE1 PHE 173 0.813 65.459 7.446 1.00 0.00 ATOM 1402 CE2 PHE 173 -1.028 64.317 8.500 1.00 0.00 ATOM 1403 CZ PHE 173 -0.371 64.759 7.334 1.00 0.00 ATOM 1404 O PHE 173 -1.688 67.375 11.475 1.00 0.00 ATOM 1405 C PHE 173 -0.890 66.679 12.113 1.00 0.00 ATOM 1406 N ASP 174 -1.283 65.719 12.949 1.00 0.00 ATOM 1407 CA ASP 174 -2.710 65.378 13.054 1.00 0.00 ATOM 1408 CB ASP 174 -2.926 64.090 13.856 1.00 0.00 ATOM 1409 CG ASP 174 -2.424 62.860 13.148 1.00 0.00 ATOM 1410 OD1 ASP 174 -2.344 62.831 11.897 1.00 0.00 ATOM 1411 OD2 ASP 174 -2.134 61.870 13.859 1.00 0.00 ATOM 1412 O ASP 174 -4.827 66.472 13.496 1.00 0.00 ATOM 1413 C ASP 174 -3.593 66.485 13.663 1.00 0.00 ATOM 1414 N CYS 175 -2.959 67.407 14.383 1.00 0.00 ATOM 1415 CA CYS 175 -3.653 68.538 14.995 1.00 0.00 ATOM 1416 CB CYS 175 -2.769 69.233 16.040 1.00 0.00 ATOM 1417 SG CYS 175 -2.359 68.164 17.489 1.00 0.00 ATOM 1418 O CYS 175 -4.955 70.382 14.202 1.00 0.00 ATOM 1419 C CYS 175 -4.079 69.548 13.944 1.00 0.00 ATOM 1420 N LEU 176 -3.466 69.474 12.757 1.00 0.00 ATOM 1421 CA LEU 176 -3.687 70.513 11.762 1.00 0.00 ATOM 1422 CB LEU 176 -2.345 71.104 11.333 1.00 0.00 ATOM 1423 CG LEU 176 -1.542 71.773 12.444 1.00 0.00 ATOM 1424 CD1 LEU 176 -0.190 72.271 11.955 1.00 0.00 ATOM 1425 CD2 LEU 176 -2.296 72.928 13.048 1.00 0.00 ATOM 1426 O LEU 176 -4.717 70.888 9.626 1.00 0.00 ATOM 1427 C LEU 176 -4.497 70.077 10.530 1.00 0.00 ATOM 1428 N THR 177 -4.910 68.801 10.513 1.00 0.00 ATOM 1429 CA THR 177 -5.606 68.214 9.360 1.00 0.00 ATOM 1430 CB THR 177 -5.246 66.735 9.155 1.00 0.00 ATOM 1431 CG2 THR 177 -3.800 66.585 8.765 1.00 0.00 ATOM 1432 OG1 THR 177 -5.455 66.031 10.376 1.00 0.00 ATOM 1433 O THR 177 -7.675 68.304 10.596 1.00 0.00 ATOM 1434 C THR 177 -7.132 68.279 9.480 1.00 0.00 ATOM 1435 N ASP 178 -7.788 68.336 8.325 1.00 0.00 ATOM 1436 CA ASP 178 -9.246 68.262 8.228 1.00 0.00 ATOM 1437 CB ASP 178 -9.752 69.127 7.070 1.00 0.00 ATOM 1438 CG ASP 178 -9.303 68.639 5.709 1.00 0.00 ATOM 1439 OD1 ASP 178 -8.851 67.477 5.593 1.00 0.00 ATOM 1440 OD2 ASP 178 -9.395 69.445 4.749 1.00 0.00 ATOM 1441 O ASP 178 -8.795 65.891 8.227 1.00 0.00 ATOM 1442 C ASP 178 -9.655 66.797 8.097 1.00 0.00 ATOM 1443 N GLN 179 -10.943 66.541 7.840 1.00 0.00 ATOM 1444 CA GLN 179 -11.427 65.157 7.784 1.00 0.00 ATOM 1445 CB GLN 179 -12.965 65.100 7.778 1.00 0.00 ATOM 1446 CG GLN 179 -13.561 65.483 6.442 1.00 0.00 ATOM 1447 CD GLN 179 -14.988 65.023 6.270 1.00 0.00 ATOM 1448 OE1 GLN 179 -15.363 63.927 6.697 1.00 0.00 ATOM 1449 NE2 GLN 179 -15.796 65.858 5.630 1.00 0.00 ATOM 1450 O GLN 179 -10.789 63.143 6.626 1.00 0.00 ATOM 1451 C GLN 179 -10.830 64.381 6.603 1.00 0.00 ATOM 1452 N ALA 180 -10.389 65.103 5.571 1.00 0.00 ATOM 1453 CA ALA 180 -9.761 64.512 4.385 1.00 0.00 ATOM 1454 CB ALA 180 -10.081 65.347 3.145 1.00 0.00 ATOM 1455 O ALA 180 -7.561 63.929 3.622 1.00 0.00 ATOM 1456 C ALA 180 -8.238 64.372 4.544 1.00 0.00 ATOM 1457 N GLY 181 -7.716 64.728 5.712 1.00 0.00 ATOM 1458 CA GLY 181 -6.282 64.608 5.966 1.00 0.00 ATOM 1459 O GLY 181 -4.208 65.559 5.230 1.00 0.00 ATOM 1460 C GLY 181 -5.436 65.701 5.338 1.00 0.00 ATOM 1461 N GLN 182 -6.091 66.776 4.908 1.00 0.00 ATOM 1462 CA GLN 182 -5.428 67.955 4.365 1.00 0.00 ATOM 1463 CB GLN 182 -6.301 68.608 3.273 1.00 0.00 ATOM 1464 CG GLN 182 -6.621 67.740 2.040 1.00 0.00 ATOM 1465 CD GLN 182 -5.402 67.079 1.454 1.00 0.00 ATOM 1466 OE1 GLN 182 -4.424 67.734 1.111 1.00 0.00 ATOM 1467 NE2 GLN 182 -5.456 65.760 1.327 1.00 0.00 ATOM 1468 O GLN 182 -6.007 68.998 6.433 1.00 0.00 ATOM 1469 C GLN 182 -5.230 68.978 5.478 1.00 0.00 ATOM 1470 N LEU 183 -4.235 69.852 5.340 1.00 0.00 ATOM 1471 CA LEU 183 -4.155 71.053 6.188 1.00 0.00 ATOM 1472 CB LEU 183 -2.968 71.939 5.745 1.00 0.00 ATOM 1473 CG LEU 183 -2.719 73.262 6.490 1.00 0.00 ATOM 1474 CD1 LEU 183 -2.367 73.006 7.963 1.00 0.00 ATOM 1475 CD2 LEU 183 -1.615 74.032 5.776 1.00 0.00 ATOM 1476 O LEU 183 -5.901 72.215 5.034 1.00 0.00 ATOM 1477 C LEU 183 -5.472 71.827 6.116 1.00 0.00 ATOM 1478 N LYS 184 -6.087 72.083 7.277 1.00 0.00 ATOM 1479 CA LYS 184 -7.410 72.733 7.293 1.00 0.00 ATOM 1480 CB LYS 184 -7.870 73.072 8.694 1.00 0.00 ATOM 1481 CG LYS 184 -8.201 71.915 9.551 1.00 0.00 ATOM 1482 CD LYS 184 -9.036 72.402 10.736 1.00 0.00 ATOM 1483 CE LYS 184 -8.942 71.374 11.854 1.00 0.00 ATOM 1484 NZ LYS 184 -9.642 71.827 13.076 1.00 0.00 ATOM 1485 O LYS 184 -6.486 74.860 6.766 1.00 0.00 ATOM 1486 C LYS 184 -7.391 74.053 6.565 1.00 0.00 ATOM 1487 N LYS 185 -8.413 74.301 5.761 1.00 0.00 ATOM 1488 CA LYS 185 -8.479 75.551 5.014 1.00 0.00 ATOM 1489 CB LYS 185 -9.725 75.559 4.103 1.00 0.00 ATOM 1490 CG LYS 185 -10.155 76.907 3.554 1.00 0.00 ATOM 1491 CD LYS 185 -11.232 77.479 4.445 1.00 0.00 ATOM 1492 CE LYS 185 -12.147 78.431 3.738 1.00 0.00 ATOM 1493 NZ LYS 185 -13.174 78.927 4.718 1.00 0.00 ATOM 1494 O LYS 185 -7.642 77.752 5.542 1.00 0.00 ATOM 1495 C LYS 185 -8.340 76.805 5.908 1.00 0.00 ATOM 1496 N GLU 186 -8.995 76.847 7.062 1.00 0.00 ATOM 1497 CA GLU 186 -8.860 78.043 7.895 1.00 0.00 ATOM 1498 CB GLU 186 -9.998 78.190 8.915 1.00 0.00 ATOM 1499 CG GLU 186 -11.308 78.720 8.344 1.00 0.00 ATOM 1500 CD GLU 186 -11.215 80.146 7.805 1.00 0.00 ATOM 1501 OE1 GLU 186 -10.839 81.078 8.554 1.00 0.00 ATOM 1502 OE2 GLU 186 -11.541 80.320 6.619 1.00 0.00 ATOM 1503 O GLU 186 -7.172 79.165 9.180 1.00 0.00 ATOM 1504 C GLU 186 -7.492 78.126 8.589 1.00 0.00 ATOM 1505 N TYR 187 -6.706 77.044 8.550 1.00 0.00 ATOM 1506 CA TYR 187 -5.359 77.084 9.151 1.00 0.00 ATOM 1507 CB TYR 187 -4.948 75.728 9.736 1.00 0.00 ATOM 1508 CG TYR 187 -5.722 75.273 10.957 1.00 0.00 ATOM 1509 CD1 TYR 187 -6.579 76.132 11.623 1.00 0.00 ATOM 1510 CD2 TYR 187 -5.534 73.989 11.464 1.00 0.00 ATOM 1511 CE1 TYR 187 -7.264 75.706 12.752 1.00 0.00 ATOM 1512 CE2 TYR 187 -6.204 73.550 12.575 1.00 0.00 ATOM 1513 CZ TYR 187 -7.061 74.414 13.211 1.00 0.00 ATOM 1514 OH TYR 187 -7.747 73.967 14.318 1.00 0.00 ATOM 1515 O TYR 187 -3.084 77.640 8.559 1.00 0.00 ATOM 1516 C TYR 187 -4.260 77.532 8.167 1.00 0.00 ATOM 1517 N THR 188 -4.629 77.781 6.907 1.00 0.00 ATOM 1518 CA THR 188 -3.604 78.047 5.894 1.00 0.00 ATOM 1519 CB THR 188 -3.435 76.851 4.940 1.00 0.00 ATOM 1520 CG2 THR 188 -4.636 76.719 3.988 1.00 0.00 ATOM 1521 OG1 THR 188 -2.232 77.030 4.175 1.00 0.00 ATOM 1522 O THR 188 -5.054 79.721 4.994 1.00 0.00 ATOM 1523 C THR 188 -3.892 79.312 5.118 1.00 0.00 ATOM 1524 N THR 189 -2.826 79.948 4.632 1.00 0.00 ATOM 1525 CA THR 189 -2.969 81.096 3.730 1.00 0.00 ATOM 1526 CB THR 189 -1.872 82.149 4.009 1.00 0.00 ATOM 1527 CG2 THR 189 -2.028 82.792 5.401 1.00 0.00 ATOM 1528 OG1 THR 189 -0.600 81.509 3.951 1.00 0.00 ATOM 1529 O THR 189 -3.757 81.025 1.448 1.00 0.00 ATOM 1530 C THR 189 -2.914 80.642 2.267 1.00 0.00 ATOM 1531 N ASP 190 -1.942 79.783 1.955 1.00 0.00 ATOM 1532 CA ASP 190 -1.656 79.404 0.562 1.00 0.00 ATOM 1533 CB ASP 190 -0.364 80.087 0.082 1.00 0.00 ATOM 1534 CG ASP 190 0.850 79.687 0.908 1.00 0.00 ATOM 1535 OD1 ASP 190 0.725 78.786 1.762 1.00 0.00 ATOM 1536 OD2 ASP 190 1.952 80.258 0.710 1.00 0.00 ATOM 1537 O ASP 190 -1.128 77.451 -0.716 1.00 0.00 ATOM 1538 C ASP 190 -1.557 77.893 0.354 1.00 0.00 ATOM 1539 N GLY 191 -1.966 77.115 1.357 1.00 0.00 ATOM 1540 CA GLY 191 -1.928 75.658 1.314 1.00 0.00 ATOM 1541 O GLY 191 -0.706 73.873 2.238 1.00 0.00 ATOM 1542 C GLY 191 -0.721 75.056 1.992 1.00 0.00 ATOM 1543 N LEU 192 0.273 75.899 2.296 1.00 0.00 ATOM 1544 CA LEU 192 1.531 75.469 2.889 1.00 0.00 ATOM 1545 CB LEU 192 2.676 75.659 1.877 1.00 0.00 ATOM 1546 CG LEU 192 4.118 75.473 2.334 1.00 0.00 ATOM 1547 CD1 LEU 192 4.401 74.034 2.617 1.00 0.00 ATOM 1548 CD2 LEU 192 5.071 75.926 1.213 1.00 0.00 ATOM 1549 O LEU 192 2.043 75.686 5.247 1.00 0.00 ATOM 1550 C LEU 192 1.817 76.265 4.176 1.00 0.00 ATOM 1551 N HIS 193 1.788 77.589 4.062 1.00 0.00 ATOM 1552 CA HIS 193 2.028 78.469 5.193 1.00 0.00 ATOM 1553 CB HIS 193 2.429 79.845 4.683 1.00 0.00 ATOM 1554 CG HIS 193 3.770 79.845 4.021 1.00 0.00 ATOM 1555 CD2 HIS 193 5.026 79.783 4.532 1.00 0.00 ATOM 1556 ND1 HIS 193 3.902 79.840 2.648 1.00 0.00 ATOM 1557 CE1 HIS 193 5.191 79.805 2.342 1.00 0.00 ATOM 1558 NE2 HIS 193 5.892 79.785 3.462 1.00 0.00 ATOM 1559 O HIS 193 -0.353 78.324 5.576 1.00 0.00 ATOM 1560 C HIS 193 0.779 78.568 6.049 1.00 0.00 ATOM 1561 N LEU 194 0.988 78.906 7.320 1.00 0.00 ATOM 1562 CA LEU 194 -0.130 78.980 8.253 1.00 0.00 ATOM 1563 CB LEU 194 0.309 78.541 9.658 1.00 0.00 ATOM 1564 CG LEU 194 0.913 77.136 9.713 1.00 0.00 ATOM 1565 CD1 LEU 194 1.272 76.765 11.145 1.00 0.00 ATOM 1566 CD2 LEU 194 -0.058 76.080 9.141 1.00 0.00 ATOM 1567 O LEU 194 -0.070 81.387 8.399 1.00 0.00 ATOM 1568 C LEU 194 -0.753 80.359 8.369 1.00 0.00 ATOM 1569 N SER 195 -2.069 80.371 8.517 1.00 0.00 ATOM 1570 CA SER 195 -2.785 81.572 8.906 1.00 0.00 ATOM 1571 CB SER 195 -4.269 81.394 8.617 1.00 0.00 ATOM 1572 OG SER 195 -4.742 80.342 9.427 1.00 0.00 ATOM 1573 O SER 195 -2.040 80.895 11.090 1.00 0.00 ATOM 1574 C SER 195 -2.587 81.768 10.421 1.00 0.00 ATOM 1575 N ILE 196 -3.063 82.886 10.980 1.00 0.00 ATOM 1576 CA ILE 196 -2.966 83.034 12.432 1.00 0.00 ATOM 1577 CB ILE 196 -3.337 84.484 12.880 1.00 0.00 ATOM 1578 CG1 ILE 196 -2.231 85.447 12.425 1.00 0.00 ATOM 1579 CG2 ILE 196 -3.572 84.572 14.362 1.00 0.00 ATOM 1580 CD1 ILE 196 -0.844 85.088 12.959 1.00 0.00 ATOM 1581 O ILE 196 -3.381 81.446 14.189 1.00 0.00 ATOM 1582 C ILE 196 -3.809 81.943 13.148 1.00 0.00 ATOM 1583 N ALA 197 -4.990 81.586 12.613 1.00 0.00 ATOM 1584 CA ALA 197 -5.732 80.474 13.218 1.00 0.00 ATOM 1585 CB ALA 197 -7.028 80.187 12.474 1.00 0.00 ATOM 1586 O ALA 197 -4.889 78.450 14.213 1.00 0.00 ATOM 1587 C ALA 197 -4.851 79.223 13.244 1.00 0.00 ATOM 1588 N GLY 198 -4.084 79.013 12.170 1.00 0.00 ATOM 1589 CA GLY 198 -3.224 77.824 12.091 1.00 0.00 ATOM 1590 O GLY 198 -1.795 76.915 13.804 1.00 0.00 ATOM 1591 C GLY 198 -2.107 77.894 13.116 1.00 0.00 ATOM 1592 N TYR 199 -1.494 79.064 13.229 1.00 0.00 ATOM 1593 CA TYR 199 -0.437 79.239 14.240 1.00 0.00 ATOM 1594 CB TYR 199 0.264 80.581 14.100 1.00 0.00 ATOM 1595 CG TYR 199 1.384 80.596 13.111 1.00 0.00 ATOM 1596 CD1 TYR 199 1.310 81.411 11.983 1.00 0.00 ATOM 1597 CD2 TYR 199 2.518 79.823 13.301 1.00 0.00 ATOM 1598 CE1 TYR 199 2.373 81.450 11.056 1.00 0.00 ATOM 1599 CE2 TYR 199 3.577 79.877 12.390 1.00 0.00 ATOM 1600 CZ TYR 199 3.475 80.679 11.269 1.00 0.00 ATOM 1601 OH TYR 199 4.530 80.730 10.391 1.00 0.00 ATOM 1602 O TYR 199 -0.312 78.590 16.540 1.00 0.00 ATOM 1603 C TYR 199 -0.998 79.112 15.653 1.00 0.00 ATOM 1604 N GLN 200 -2.234 79.591 15.885 1.00 0.00 ATOM 1605 CA GLN 200 -2.813 79.446 17.220 1.00 0.00 ATOM 1606 CB GLN 200 -4.119 80.217 17.310 1.00 0.00 ATOM 1607 CG GLN 200 -4.758 80.124 18.677 1.00 0.00 ATOM 1608 CD GLN 200 -6.095 80.845 18.719 1.00 0.00 ATOM 1609 OE1 GLN 200 -6.939 80.679 17.820 1.00 0.00 ATOM 1610 NE2 GLN 200 -6.288 81.671 19.757 1.00 0.00 ATOM 1611 O GLN 200 -2.805 77.491 18.626 1.00 0.00 ATOM 1612 C GLN 200 -3.035 77.949 17.509 1.00 0.00 ATOM 1613 N ALA 201 -3.500 77.198 16.502 1.00 0.00 ATOM 1614 CA ALA 201 -3.738 75.755 16.722 1.00 0.00 ATOM 1615 CB ALA 201 -4.507 75.135 15.550 1.00 0.00 ATOM 1616 O ALA 201 -2.328 74.118 17.828 1.00 0.00 ATOM 1617 C ALA 201 -2.417 75.015 16.949 1.00 0.00 ATOM 1618 N LEU 202 -1.395 75.366 16.166 1.00 0.00 ATOM 1619 CA LEU 202 -0.067 74.798 16.359 1.00 0.00 ATOM 1620 CB LEU 202 0.872 75.283 15.254 1.00 0.00 ATOM 1621 CG LEU 202 2.332 74.820 15.384 1.00 0.00 ATOM 1622 CD1 LEU 202 2.409 73.264 15.389 1.00 0.00 ATOM 1623 CD2 LEU 202 3.140 75.403 14.226 1.00 0.00 ATOM 1624 O LEU 202 0.979 74.214 18.473 1.00 0.00 ATOM 1625 C LEU 202 0.471 75.105 17.766 1.00 0.00 ATOM 1626 N SER 203 0.305 76.359 18.195 1.00 0.00 ATOM 1627 CA SER 203 0.786 76.773 19.503 1.00 0.00 ATOM 1628 CB SER 203 0.567 78.270 19.725 1.00 0.00 ATOM 1629 OG SER 203 1.262 78.990 18.713 1.00 0.00 ATOM 1630 O SER 203 0.767 75.533 21.570 1.00 0.00 ATOM 1631 C SER 203 0.113 75.966 20.612 1.00 0.00 ATOM 1632 N LYS 204 -1.191 75.762 20.460 1.00 0.00 ATOM 1633 CA LYS 204 -1.936 74.996 21.468 1.00 0.00 ATOM 1634 CB LYS 204 -3.434 75.018 21.152 1.00 0.00 ATOM 1635 CG LYS 204 -4.299 74.222 22.108 1.00 0.00 ATOM 1636 CD LYS 204 -5.746 74.298 21.658 1.00 0.00 ATOM 1637 CE LYS 204 -6.624 73.338 22.449 1.00 0.00 ATOM 1638 NZ LYS 204 -6.679 73.720 23.886 1.00 0.00 ATOM 1639 O LYS 204 -1.224 73.037 22.628 1.00 0.00 ATOM 1640 C LYS 204 -1.396 73.576 21.535 1.00 0.00 ATOM 1641 N SER 205 -1.097 72.995 20.382 1.00 0.00 ATOM 1642 CA SER 205 -0.547 71.647 20.324 1.00 0.00 ATOM 1643 CB SER 205 -0.507 71.184 18.870 1.00 0.00 ATOM 1644 OG SER 205 -0.104 69.827 18.733 1.00 0.00 ATOM 1645 O SER 205 1.217 70.476 21.511 1.00 0.00 ATOM 1646 C SER 205 0.852 71.543 20.946 1.00 0.00 ATOM 1647 N LEU 206 1.635 72.624 20.851 1.00 0.00 ATOM 1648 CA LEU 206 3.039 72.629 21.307 1.00 0.00 ATOM 1649 CB LEU 206 3.883 73.669 20.530 1.00 0.00 ATOM 1650 CG LEU 206 4.145 73.306 19.067 1.00 0.00 ATOM 1651 CD1 LEU 206 4.937 74.402 18.359 1.00 0.00 ATOM 1652 CD2 LEU 206 4.889 71.972 18.986 1.00 0.00 ATOM 1653 O LEU 206 4.204 72.636 23.401 1.00 0.00 ATOM 1654 C LEU 206 3.171 72.935 22.791 1.00 0.00 ATOM 1655 N LYS 207 2.151 73.572 23.360 1.00 0.00 ATOM 1656 CA LYS 207 2.239 74.071 24.736 1.00 0.00 ATOM 1657 CB LYS 207 0.888 74.603 25.201 1.00 0.00 ATOM 1658 CG LYS 207 0.718 76.068 24.837 1.00 0.00 ATOM 1659 CD LYS 207 -0.555 76.656 25.444 1.00 0.00 ATOM 1660 CE LYS 207 -0.890 78.002 24.780 1.00 0.00 ATOM 1661 NZ LYS 207 -1.373 77.863 23.358 1.00 0.00 ATOM 1662 O LYS 207 3.590 73.368 26.561 1.00 0.00 ATOM 1663 C LYS 207 2.750 73.041 25.724 1.00 0.00 ATOM 1664 N ASP 208 2.288 71.800 25.627 1.00 0.00 ATOM 1665 CA ASP 208 2.709 70.777 26.595 1.00 0.00 ATOM 1666 CB ASP 208 1.865 69.507 26.447 1.00 0.00 ATOM 1667 CG ASP 208 0.487 69.619 27.128 1.00 0.00 ATOM 1668 OD1 ASP 208 0.228 70.586 27.879 1.00 0.00 ATOM 1669 OD2 ASP 208 -0.346 68.723 26.895 1.00 0.00 ATOM 1670 O ASP 208 4.774 69.827 27.396 1.00 0.00 ATOM 1671 C ASP 208 4.197 70.414 26.477 1.00 0.00 ATOM 1672 N TYR 209 4.806 70.750 25.340 1.00 0.00 ATOM 1673 CA TYR 209 6.210 70.415 25.087 1.00 0.00 ATOM 1674 CB TYR 209 6.420 70.103 23.607 1.00 0.00 ATOM 1675 CG TYR 209 5.675 68.891 23.153 1.00 0.00 ATOM 1676 CD1 TYR 209 6.244 67.634 23.257 1.00 0.00 ATOM 1677 CD2 TYR 209 4.390 69.004 22.631 1.00 0.00 ATOM 1678 CE1 TYR 209 5.556 66.510 22.853 1.00 0.00 ATOM 1679 CE2 TYR 209 3.687 67.892 22.212 1.00 0.00 ATOM 1680 CZ TYR 209 4.279 66.644 22.337 1.00 0.00 ATOM 1681 OH TYR 209 3.589 65.541 21.907 1.00 0.00 ATOM 1682 O TYR 209 8.334 71.383 25.638 1.00 0.00 ATOM 1683 C TYR 209 7.122 71.568 25.465 1.00 0.00 ATOM 1684 N LEU 210 6.542 72.757 25.557 1.00 0.00 ATOM 1685 CA LEU 210 7.296 73.986 25.854 1.00 0.00 ATOM 1686 CB LEU 210 6.613 75.214 25.224 1.00 0.00 ATOM 1687 CG LEU 210 7.170 75.926 23.992 1.00 0.00 ATOM 1688 CD1 LEU 210 6.322 77.127 23.712 1.00 0.00 ATOM 1689 CD2 LEU 210 8.565 76.397 24.247 1.00 0.00 ATOM 1690 O LEU 210 8.492 74.587 27.845 1.00 0.00 ATOM 1691 C LEU 210 7.421 74.203 27.362 1.00 0.00 ATOM 1692 N TYR 211 6.324 73.944 28.085 1.00 0.00 ATOM 1693 CA TYR 211 6.167 74.274 29.520 1.00 0.00 ATOM 1694 CB TYR 211 4.996 75.250 29.725 1.00 0.00 ATOM 1695 CG TYR 211 5.084 76.493 28.878 1.00 0.00 ATOM 1696 CD1 TYR 211 5.959 77.525 29.221 1.00 0.00 ATOM 1697 CD2 TYR 211 4.308 76.632 27.720 1.00 0.00 ATOM 1698 CE1 TYR 211 6.060 78.681 28.434 1.00 0.00 ATOM 1699 CE2 TYR 211 4.397 77.774 26.933 1.00 0.00 ATOM 1700 CZ TYR 211 5.273 78.795 27.296 1.00 0.00 ATOM 1701 OH TYR 211 5.384 79.919 26.523 1.00 0.00 ATOM 1702 O TYR 211 5.216 72.108 29.891 1.00 0.00 ATOM 1703 C TYR 211 5.916 73.018 30.348 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1456560628.pdb -s /var/tmp/to_scwrl_1456560628.seq -o /var/tmp/from_scwrl_1456560628.pdb > /var/tmp/scwrl_1456560628.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1456560628.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 193 # 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 = -69.905 # GDT_score(maxd=8.000,maxw=2.900)= -71.547 # GDT_score(maxd=8.000,maxw=3.200)= -68.035 # GDT_score(maxd=8.000,maxw=3.500)= -64.445 # GDT_score(maxd=10.000,maxw=3.800)= -67.672 # GDT_score(maxd=10.000,maxw=4.000)= -65.401 # GDT_score(maxd=10.000,maxw=4.200)= -63.228 # GDT_score(maxd=12.000,maxw=4.300)= -67.134 # GDT_score(maxd=12.000,maxw=4.500)= -65.007 # GDT_score(maxd=12.000,maxw=4.700)= -62.953 # GDT_score(maxd=14.000,maxw=5.200)= -61.913 # GDT_score(maxd=14.000,maxw=5.500)= -59.138 # command:# request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_726459745.pdb -s /var/tmp/to_scwrl_726459745.seq -o /var/tmp/from_scwrl_726459745.pdb > /var/tmp/scwrl_726459745.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_726459745.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 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # command:Warning: Couldn't open file decoys/model3.gdt for output # fraction of real conformation used = 0.801 # GDT_score = -58.294 # GDT_score(maxd=8.000,maxw=2.900)= -60.644 # GDT_score(maxd=8.000,maxw=3.200)= -57.810 # GDT_score(maxd=8.000,maxw=3.500)= -54.945 # GDT_score(maxd=10.000,maxw=3.800)= -57.066 # GDT_score(maxd=10.000,maxw=4.000)= -55.293 # GDT_score(maxd=10.000,maxw=4.200)= -53.521 # GDT_score(maxd=12.000,maxw=4.300)= -56.390 # GDT_score(maxd=12.000,maxw=4.500)= -54.659 # GDT_score(maxd=12.000,maxw=4.700)= -52.972 # GDT_score(maxd=14.000,maxw=5.200)= -51.905 # GDT_score(maxd=14.000,maxw=5.500)= -49.601 # command:# request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_34836600.pdb -s /var/tmp/to_scwrl_34836600.seq -o /var/tmp/from_scwrl_34836600.pdb > /var/tmp/scwrl_34836600.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_34836600.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 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # command:Warning: Couldn't open file decoys/model4.gdt for output # fraction of real conformation used = 0.768 # GDT_score = -50.948 # GDT_score(maxd=8.000,maxw=2.900)= -53.540 # GDT_score(maxd=8.000,maxw=3.200)= -50.842 # GDT_score(maxd=8.000,maxw=3.500)= -48.259 # GDT_score(maxd=10.000,maxw=3.800)= -50.547 # GDT_score(maxd=10.000,maxw=4.000)= -48.943 # GDT_score(maxd=10.000,maxw=4.200)= -47.418 # GDT_score(maxd=12.000,maxw=4.300)= -50.263 # GDT_score(maxd=12.000,maxw=4.500)= -48.765 # GDT_score(maxd=12.000,maxw=4.700)= -47.318 # GDT_score(maxd=14.000,maxw=5.200)= -46.693 # GDT_score(maxd=14.000,maxw=5.500)= -44.754 # command:# request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_740553081.pdb -s /var/tmp/to_scwrl_740553081.seq -o /var/tmp/from_scwrl_740553081.pdb > /var/tmp/scwrl_740553081.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_740553081.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 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # command:Warning: Couldn't open file decoys/model5.gdt for output # fraction of real conformation used = 0.768 # GDT_score = -55.924 # GDT_score(maxd=8.000,maxw=2.900)= -58.233 # GDT_score(maxd=8.000,maxw=3.200)= -55.591 # GDT_score(maxd=8.000,maxw=3.500)= -52.763 # GDT_score(maxd=10.000,maxw=3.800)= -54.877 # GDT_score(maxd=10.000,maxw=4.000)= -53.040 # GDT_score(maxd=10.000,maxw=4.200)= -51.228 # GDT_score(maxd=12.000,maxw=4.300)= -54.170 # GDT_score(maxd=12.000,maxw=4.500)= -52.407 # GDT_score(maxd=12.000,maxw=4.700)= -50.685 # GDT_score(maxd=14.000,maxw=5.200)= -49.610 # GDT_score(maxd=14.000,maxw=5.500)= -47.315 # command:# request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_757020735.pdb -s /var/tmp/to_scwrl_757020735.seq -o /var/tmp/from_scwrl_757020735.pdb > /var/tmp/scwrl_757020735.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_757020735.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 T0297.try1-opt2.pdb looking for model 1 # Found a chain break before 199 # 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 = -68.365 # GDT_score(maxd=8.000,maxw=2.900)= -70.138 # GDT_score(maxd=8.000,maxw=3.200)= -66.926 # GDT_score(maxd=8.000,maxw=3.500)= -63.682 # GDT_score(maxd=10.000,maxw=3.800)= -66.838 # GDT_score(maxd=10.000,maxw=4.000)= -64.712 # GDT_score(maxd=10.000,maxw=4.200)= -62.597 # GDT_score(maxd=12.000,maxw=4.300)= -66.498 # GDT_score(maxd=12.000,maxw=4.500)= -64.417 # GDT_score(maxd=12.000,maxw=4.700)= -62.388 # GDT_score(maxd=14.000,maxw=5.200)= -61.410 # GDT_score(maxd=14.000,maxw=5.500)= -58.634 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0297.try1-real.pdb for output Error: Couldn't open file T0297.try1-real.pdb for output superimposing iter= 0 total_weight= 2547.000 rmsd (weighted)= 4.596 (unweighted)= 5.019 superimposing iter= 1 total_weight= 8289.561 rmsd (weighted)= 1.813 (unweighted)= 5.069 superimposing iter= 2 total_weight= 3915.891 rmsd (weighted)= 1.163 (unweighted)= 5.095 superimposing iter= 3 total_weight= 2278.737 rmsd (weighted)= 0.996 (unweighted)= 5.107 superimposing iter= 4 total_weight= 1893.306 rmsd (weighted)= 0.938 (unweighted)= 5.113 superimposing iter= 5 total_weight= 1775.877 rmsd (weighted)= 0.913 (unweighted)= 5.118 EXPDTA T0297.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0297.try1-opt2.pdb ATOM 1 N MET A 1 11.829 90.457 -19.338 1.00 0.00 ATOM 2 CA MET A 1 13.280 90.646 -19.376 1.00 0.00 ATOM 3 CB MET A 1 13.669 91.947 -18.669 1.00 0.00 ATOM 4 CG MET A 1 15.143 92.300 -18.787 1.00 0.00 ATOM 5 SD MET A 1 15.553 93.857 -17.973 1.00 0.00 ATOM 6 CE MET A 1 14.885 95.035 -19.146 1.00 0.00 ATOM 7 O MET A 1 13.808 89.186 -17.549 1.00 0.00 ATOM 8 C MET A 1 14.058 89.528 -18.700 1.00 0.00 ATOM 9 N ALA A 2 15.005 88.974 -19.440 1.00 0.00 ATOM 10 CA ALA A 2 15.844 87.892 -18.900 1.00 0.00 ATOM 11 CB ALA A 2 16.862 87.441 -19.936 1.00 0.00 ATOM 12 O ALA A 2 16.650 87.796 -16.612 1.00 0.00 ATOM 13 C ALA A 2 16.587 88.442 -17.657 1.00 0.00 ATOM 14 N VAL A 3 17.191 89.641 -17.773 1.00 0.00 ATOM 15 CA VAL A 3 17.910 90.243 -16.644 1.00 0.00 ATOM 16 CB VAL A 3 18.615 91.548 -17.054 1.00 0.00 ATOM 17 CG1 VAL A 3 19.166 92.263 -15.829 1.00 0.00 ATOM 18 CG2 VAL A 3 19.770 91.256 -18.001 1.00 0.00 ATOM 19 O VAL A 3 17.270 90.402 -14.302 1.00 0.00 ATOM 20 C VAL A 3 16.957 90.548 -15.509 1.00 0.00 ATOM 21 N GLN A 4 15.652 91.041 -15.879 1.00 0.00 ATOM 22 CA GLN A 4 14.662 91.378 -14.873 1.00 0.00 ATOM 23 CB GLN A 4 13.365 91.876 -15.512 1.00 0.00 ATOM 24 CG GLN A 4 12.278 92.236 -14.513 1.00 0.00 ATOM 25 CD GLN A 4 11.016 92.742 -15.183 1.00 0.00 ATOM 26 OE1 GLN A 4 10.911 92.748 -16.408 1.00 0.00 ATOM 27 NE2 GLN A 4 10.051 93.169 -14.377 1.00 0.00 ATOM 28 O GLN A 4 14.158 90.225 -12.798 1.00 0.00 ATOM 29 C GLN A 4 14.286 90.180 -14.045 1.00 0.00 ATOM 30 N LEU A 5 14.086 89.063 -14.749 1.00 0.00 ATOM 31 CA LEU A 5 13.755 87.823 -14.068 1.00 0.00 ATOM 32 CB LEU A 5 13.570 86.690 -15.079 1.00 0.00 ATOM 33 CG LEU A 5 13.252 85.308 -14.500 1.00 0.00 ATOM 34 CD1 LEU A 5 11.938 85.336 -13.735 1.00 0.00 ATOM 35 CD2 LEU A 5 13.137 84.275 -15.609 1.00 0.00 ATOM 36 O LEU A 5 14.595 87.041 -11.948 1.00 0.00 ATOM 37 C LEU A 5 14.870 87.413 -13.102 1.00 0.00 ATOM 38 N LEU A 6 16.124 87.476 -13.569 1.00 0.00 ATOM 39 CA LEU A 6 17.241 87.091 -12.703 1.00 0.00 ATOM 40 CB LEU A 6 18.567 87.204 -13.459 1.00 0.00 ATOM 41 CG LEU A 6 18.798 86.186 -14.576 1.00 0.00 ATOM 42 CD1 LEU A 6 20.061 86.523 -15.357 1.00 0.00 ATOM 43 CD2 LEU A 6 18.955 84.786 -14.003 1.00 0.00 ATOM 44 O LEU A 6 17.603 87.475 -10.369 1.00 0.00 ATOM 45 C LEU A 6 17.335 87.979 -11.465 1.00 0.00 ATOM 46 N GLU A 7 17.103 89.288 -11.678 1.00 0.00 ATOM 47 CA GLU A 7 17.159 90.252 -10.589 1.00 0.00 ATOM 48 CB GLU A 7 16.899 91.667 -11.112 1.00 0.00 ATOM 49 CG GLU A 7 18.028 92.233 -11.957 1.00 0.00 ATOM 50 CD GLU A 7 17.685 93.582 -12.559 1.00 0.00 ATOM 51 OE1 GLU A 7 16.539 94.040 -12.375 1.00 0.00 ATOM 52 OE2 GLU A 7 18.563 94.181 -13.214 1.00 0.00 ATOM 53 O GLU A 7 16.477 90.147 -8.311 1.00 0.00 ATOM 54 C GLU A 7 16.158 89.991 -9.475 1.00 0.00 ATOM 55 N ASN A 8 14.906 89.654 -9.831 1.00 0.00 ATOM 56 CA ASN A 8 13.890 89.390 -8.819 1.00 0.00 ATOM 57 CB ASN A 8 12.530 89.076 -9.446 1.00 0.00 ATOM 58 CG ASN A 8 11.861 90.306 -10.031 1.00 0.00 ATOM 59 ND2 ASN A 8 10.910 90.088 -10.931 1.00 0.00 ATOM 60 OD1 ASN A 8 12.197 91.435 -9.676 1.00 0.00 ATOM 61 O ASN A 8 14.069 88.262 -6.717 1.00 0.00 ATOM 62 C ASN A 8 14.273 88.220 -7.928 1.00 0.00 ATOM 63 N TRP A 9 14.832 87.163 -8.541 1.00 0.00 ATOM 64 CA TRP A 9 15.255 85.982 -7.796 1.00 0.00 ATOM 65 CB TRP A 9 15.823 84.894 -8.709 1.00 0.00 ATOM 66 CG TRP A 9 16.285 83.673 -7.973 1.00 0.00 ATOM 67 CD1 TRP A 9 17.575 83.283 -7.763 1.00 0.00 ATOM 68 CD2 TRP A 9 15.457 82.684 -7.347 1.00 0.00 ATOM 69 CE2 TRP A 9 16.316 81.723 -6.777 1.00 0.00 ATOM 70 CE3 TRP A 9 14.075 82.517 -7.212 1.00 0.00 ATOM 71 NE1 TRP A 9 17.605 82.110 -7.045 1.00 0.00 ATOM 72 CZ2 TRP A 9 15.838 80.612 -6.085 1.00 0.00 ATOM 73 CZ3 TRP A 9 13.606 81.414 -6.525 1.00 0.00 ATOM 74 CH2 TRP A 9 14.480 80.475 -5.970 1.00 0.00 ATOM 75 O TRP A 9 16.353 85.899 -5.661 1.00 0.00 ATOM 76 C TRP A 9 16.331 86.383 -6.797 1.00 0.00 ATOM 77 N LEU A 10 17.216 87.245 -7.229 1.00 0.00 ATOM 78 CA LEU A 10 18.293 87.718 -6.366 1.00 0.00 ATOM 79 CB LEU A 10 19.283 88.571 -7.163 1.00 0.00 ATOM 80 CG LEU A 10 20.114 87.837 -8.217 1.00 0.00 ATOM 81 CD1 LEU A 10 20.936 88.822 -9.035 1.00 0.00 ATOM 82 CD2 LEU A 10 21.070 86.852 -7.559 1.00 0.00 ATOM 83 O LEU A 10 18.226 88.408 -4.069 1.00 0.00 ATOM 84 C LEU A 10 17.723 88.498 -5.187 1.00 0.00 ATOM 85 N LEU A 11 16.689 89.251 -5.452 1.00 0.00 ATOM 86 CA LEU A 11 16.063 90.025 -4.389 1.00 0.00 ATOM 87 CB LEU A 11 15.021 90.994 -4.954 1.00 0.00 ATOM 88 CG LEU A 11 15.556 92.130 -5.829 1.00 0.00 ATOM 89 CD1 LEU A 11 14.409 92.917 -6.445 1.00 0.00 ATOM 90 CD2 LEU A 11 16.402 93.089 -5.005 1.00 0.00 ATOM 91 O LEU A 11 15.417 89.331 -2.187 1.00 0.00 ATOM 92 C LEU A 11 15.437 89.060 -3.389 1.00 0.00 ATOM 93 N LYS A 12 14.920 87.926 -3.873 1.00 0.00 ATOM 94 CA LYS A 12 14.333 86.934 -2.987 1.00 0.00 ATOM 95 CB LYS A 12 13.700 85.809 -3.808 1.00 0.00 ATOM 96 CG LYS A 12 12.465 86.231 -4.591 1.00 0.00 ATOM 97 CD LYS A 12 11.887 85.067 -5.378 1.00 0.00 ATOM 98 CE LYS A 12 10.675 85.496 -6.187 1.00 0.00 ATOM 99 NZ LYS A 12 10.112 84.371 -6.983 1.00 0.00 ATOM 100 O LYS A 12 15.178 86.099 -0.897 1.00 0.00 ATOM 101 C LYS A 12 15.416 86.364 -2.075 1.00 0.00 ATOM 102 N GLU A 13 16.673 86.239 -2.666 1.00 0.00 ATOM 103 CA GLU A 13 17.803 85.716 -1.907 1.00 0.00 ATOM 104 CB GLU A 13 18.980 85.414 -2.836 1.00 0.00 ATOM 105 CG GLU A 13 18.754 84.227 -3.758 1.00 0.00 ATOM 106 CD GLU A 13 19.886 84.032 -4.748 1.00 0.00 ATOM 107 OE1 GLU A 13 20.814 84.870 -4.761 1.00 0.00 ATOM 108 OE2 GLU A 13 19.847 83.043 -5.510 1.00 0.00 ATOM 109 O GLU A 13 18.641 86.274 0.278 1.00 0.00 ATOM 110 C GLU A 13 18.290 86.686 -0.828 1.00 0.00 ATOM 111 N GLN A 14 18.337 87.970 -1.192 1.00 0.00 ATOM 112 CA GLN A 14 18.785 89.001 -0.267 1.00 0.00 ATOM 113 CB GLN A 14 18.720 90.382 -0.925 1.00 0.00 ATOM 114 CG GLN A 14 19.778 90.610 -1.993 1.00 0.00 ATOM 115 CD GLN A 14 19.613 91.939 -2.701 1.00 0.00 ATOM 116 OE1 GLN A 14 18.650 92.668 -2.459 1.00 0.00 ATOM 117 NE2 GLN A 14 20.557 92.262 -3.579 1.00 0.00 ATOM 118 O GLN A 14 18.387 89.175 2.062 1.00 0.00 ATOM 119 C GLN A 14 17.901 89.006 0.959 1.00 0.00 ATOM 120 N GLU A 15 16.607 88.784 0.773 1.00 0.00 ATOM 121 CA GLU A 15 15.690 88.654 1.880 1.00 0.00 ATOM 122 CB GLU A 15 14.277 88.358 1.375 1.00 0.00 ATOM 123 CG GLU A 15 13.232 88.263 2.475 1.00 0.00 ATOM 124 CD GLU A 15 11.840 88.003 1.935 1.00 0.00 ATOM 125 OE1 GLU A 15 11.689 87.913 0.698 1.00 0.00 ATOM 126 OE2 GLU A 15 10.898 87.891 2.748 1.00 0.00 ATOM 127 O GLU A 15 16.055 87.677 4.055 1.00 0.00 ATOM 128 C GLU A 15 16.056 87.515 2.828 1.00 0.00 ATOM 129 N LYS A 16 16.392 86.379 2.262 1.00 0.00 ATOM 130 CA LYS A 16 16.751 85.217 3.054 1.00 0.00 ATOM 131 CB LYS A 16 16.950 83.981 2.176 1.00 0.00 ATOM 132 CG LYS A 16 15.679 83.483 1.505 1.00 0.00 ATOM 133 CD LYS A 16 15.952 82.262 0.642 1.00 0.00 ATOM 134 CE LYS A 16 14.691 81.794 -0.064 1.00 0.00 ATOM 135 NZ LYS A 16 14.946 80.607 -0.928 1.00 0.00 ATOM 136 O LYS A 16 17.996 85.207 5.099 1.00 0.00 ATOM 137 C LYS A 16 18.003 85.471 3.838 1.00 0.00 ATOM 138 N ILE A 17 19.072 85.951 3.264 1.00 0.00 ATOM 139 CA ILE A 17 20.285 86.254 4.015 1.00 0.00 ATOM 140 CB ILE A 17 21.428 86.703 3.086 1.00 0.00 ATOM 141 CG1 ILE A 17 21.898 85.534 2.216 1.00 0.00 ATOM 142 CG2 ILE A 17 22.611 87.204 3.900 1.00 0.00 ATOM 143 CD1 ILE A 17 22.832 85.943 1.099 1.00 0.00 ATOM 144 O ILE A 17 20.581 87.293 6.155 1.00 0.00 ATOM 145 C ILE A 17 20.031 87.346 5.057 1.00 0.00 ATOM 146 N GLN A 18 19.184 88.323 4.721 1.00 0.00 ATOM 147 CA GLN A 18 18.899 89.378 5.694 1.00 0.00 ATOM 148 CB GLN A 18 17.971 90.430 5.081 1.00 0.00 ATOM 149 CG GLN A 18 18.632 91.301 4.026 1.00 0.00 ATOM 150 CD GLN A 18 17.656 92.251 3.361 1.00 0.00 ATOM 151 OE1 GLN A 18 16.454 92.206 3.621 1.00 0.00 ATOM 152 NE2 GLN A 18 18.173 93.120 2.498 1.00 0.00 ATOM 153 O GLN A 18 18.551 89.187 8.063 1.00 0.00 ATOM 154 C GLN A 18 18.237 88.794 6.936 1.00 0.00 ATOM 155 N THR A 19 17.324 87.858 6.709 1.00 0.00 ATOM 156 CA THR A 19 16.624 87.219 7.814 1.00 0.00 ATOM 157 CB THR A 19 15.565 86.219 7.314 1.00 0.00 ATOM 158 CG2 THR A 19 14.909 85.507 8.488 1.00 0.00 ATOM 159 OG1 THR A 19 14.555 86.918 6.576 1.00 0.00 ATOM 160 O THR A 19 17.632 86.567 9.893 1.00 0.00 ATOM 161 C THR A 19 17.619 86.443 8.655 1.00 0.00 ATOM 162 N LYS A 20 18.454 85.640 8.007 1.00 0.00 ATOM 163 CA LYS A 20 19.488 84.887 8.744 1.00 0.00 ATOM 164 CB LYS A 20 20.363 84.098 7.753 1.00 0.00 ATOM 165 CG LYS A 20 21.553 83.445 8.443 1.00 0.00 ATOM 166 CD LYS A 20 22.466 82.718 7.481 1.00 0.00 ATOM 167 CE LYS A 20 23.679 82.184 8.228 1.00 0.00 ATOM 168 NZ LYS A 20 24.613 81.454 7.345 1.00 0.00 ATOM 169 O LYS A 20 20.799 85.464 10.663 1.00 0.00 ATOM 170 C LYS A 20 20.412 85.794 9.541 1.00 0.00 ATOM 171 N TYR A 21 20.790 86.957 8.964 1.00 0.00 ATOM 172 CA TYR A 21 21.684 87.891 9.632 1.00 0.00 ATOM 173 CB TYR A 21 22.179 89.002 8.704 1.00 0.00 ATOM 174 CG TYR A 21 23.142 89.965 9.359 1.00 0.00 ATOM 175 CD1 TYR A 21 24.458 89.596 9.606 1.00 0.00 ATOM 176 CD2 TYR A 21 22.734 91.240 9.730 1.00 0.00 ATOM 177 CE1 TYR A 21 25.346 90.469 10.205 1.00 0.00 ATOM 178 CE2 TYR A 21 23.607 92.126 10.330 1.00 0.00 ATOM 179 CZ TYR A 21 24.923 91.730 10.566 1.00 0.00 ATOM 180 OH TYR A 21 25.805 92.602 11.163 1.00 0.00 ATOM 181 O TYR A 21 21.596 88.578 11.927 1.00 0.00 ATOM 182 C TYR A 21 20.987 88.449 10.868 1.00 0.00 ATOM 183 N ARG A 22 19.690 88.775 10.733 1.00 0.00 ATOM 184 CA ARG A 22 18.944 89.303 11.867 1.00 0.00 ATOM 185 CB ARG A 22 17.497 89.603 11.470 1.00 0.00 ATOM 186 CG ARG A 22 17.340 90.795 10.543 1.00 0.00 ATOM 187 CD ARG A 22 15.887 91.006 10.153 1.00 0.00 ATOM 188 NE ARG A 22 15.725 92.119 9.222 1.00 0.00 ATOM 189 CZ ARG A 22 14.565 92.481 8.681 1.00 0.00 ATOM 190 NH1 ARG A 22 14.514 93.507 7.843 1.00 0.00 ATOM 191 NH2 ARG A 22 13.459 91.815 8.981 1.00 0.00 ATOM 192 O ARG A 22 19.192 88.631 14.158 1.00 0.00 ATOM 193 C ARG A 22 18.966 88.272 12.955 1.00 0.00 ATOM 194 N HIS A 23 18.705 86.976 12.651 1.00 0.00 ATOM 195 CA HIS A 23 18.637 85.869 13.596 1.00 0.00 ATOM 196 CB HIS A 23 18.214 84.582 12.886 1.00 0.00 ATOM 197 CG HIS A 23 16.784 84.582 12.439 1.00 0.00 ATOM 198 CD2 HIS A 23 15.609 85.392 12.718 1.00 0.00 ATOM 199 ND1 HIS A 23 16.284 83.658 11.544 1.00 0.00 ATOM 200 CE1 HIS A 23 14.979 83.911 11.339 1.00 0.00 ATOM 201 NE2 HIS A 23 14.567 84.950 12.039 1.00 0.00 ATOM 202 O HIS A 23 19.942 85.362 15.536 1.00 0.00 ATOM 203 C HIS A 23 19.972 85.609 14.270 1.00 0.00 ATOM 204 N LEU A 24 21.055 85.661 13.614 1.00 0.00 ATOM 205 CA LEU A 24 22.378 85.556 14.270 1.00 0.00 ATOM 206 CB LEU A 24 23.489 85.620 13.209 1.00 0.00 ATOM 207 CG LEU A 24 24.925 85.705 13.739 1.00 0.00 ATOM 208 CD1 LEU A 24 25.260 84.446 14.515 1.00 0.00 ATOM 209 CD2 LEU A 24 25.891 85.898 12.583 1.00 0.00 ATOM 210 O LEU A 24 22.979 86.373 16.449 1.00 0.00 ATOM 211 C LEU A 24 22.502 86.641 15.320 1.00 0.00 ATOM 212 N ASN A 25 22.103 87.878 15.033 1.00 0.00 ATOM 213 CA ASN A 25 22.186 88.968 16.026 1.00 0.00 ATOM 214 CB ASN A 25 21.851 90.312 15.376 1.00 0.00 ATOM 215 CG ASN A 25 22.954 90.809 14.463 1.00 0.00 ATOM 216 ND2 ASN A 25 22.605 91.703 13.547 1.00 0.00 ATOM 217 OD1 ASN A 25 24.107 90.391 14.582 1.00 0.00 ATOM 218 O ASN A 25 21.556 89.102 18.320 1.00 0.00 ATOM 219 C ASN A 25 21.234 88.717 17.198 1.00 0.00 ATOM 220 N HIS A 26 20.083 88.127 16.918 1.00 0.00 ATOM 221 CA HIS A 26 19.130 87.779 17.979 1.00 0.00 ATOM 222 CB HIS A 26 17.872 87.157 17.369 1.00 0.00 ATOM 223 CG HIS A 26 16.977 88.146 16.690 1.00 0.00 ATOM 224 CD2 HIS A 26 16.521 88.367 15.326 1.00 0.00 ATOM 225 ND1 HIS A 26 16.345 89.166 17.368 1.00 0.00 ATOM 226 CE1 HIS A 26 15.615 89.885 16.496 1.00 0.00 ATOM 227 NE2 HIS A 26 15.717 89.411 15.269 1.00 0.00 ATOM 228 O HIS A 26 19.674 86.943 20.165 1.00 0.00 ATOM 229 C HIS A 26 19.749 86.769 18.919 1.00 0.00 ATOM 230 N ILE A 27 20.375 85.722 18.398 1.00 0.00 ATOM 231 CA ILE A 27 21.026 84.719 19.269 1.00 0.00 ATOM 232 CB ILE A 27 21.467 83.471 18.434 1.00 0.00 ATOM 233 CG1 ILE A 27 20.278 82.768 17.814 1.00 0.00 ATOM 234 CG2 ILE A 27 22.249 82.506 19.333 1.00 0.00 ATOM 235 CD1 ILE A 27 19.054 82.504 18.594 1.00 0.00 ATOM 236 O ILE A 27 22.587 84.817 21.086 1.00 0.00 ATOM 237 C ILE A 27 22.249 85.281 19.998 1.00 0.00 ATOM 238 N SER A 28 22.845 86.334 19.432 1.00 0.00 ATOM 239 CA SER A 28 24.017 86.936 20.065 1.00 0.00 ATOM 240 CB SER A 28 25.061 87.454 19.074 1.00 0.00 ATOM 241 OG SER A 28 25.693 86.384 18.394 1.00 0.00 ATOM 242 O SER A 28 23.991 88.216 22.088 1.00 0.00 ATOM 243 C SER A 28 23.615 88.138 20.919 1.00 0.00 ATOM 244 N VAL A 29 22.842 89.066 20.363 1.00 0.00 ATOM 245 CA VAL A 29 22.454 90.244 21.134 1.00 0.00 ATOM 246 CB VAL A 29 21.696 91.263 20.262 1.00 0.00 ATOM 247 CG1 VAL A 29 21.286 92.470 21.091 1.00 0.00 ATOM 248 CG2 VAL A 29 22.577 91.743 19.118 1.00 0.00 ATOM 249 O VAL A 29 21.429 90.487 23.295 1.00 0.00 ATOM 250 C VAL A 29 21.544 89.798 22.276 1.00 0.00 ATOM 251 N VAL A 30 20.886 88.441 22.356 1.00 0.00 ATOM 252 CA VAL A 30 20.161 88.044 23.549 1.00 0.00 ATOM 253 CB VAL A 30 18.673 87.792 23.247 1.00 0.00 ATOM 254 CG1 VAL A 30 18.012 89.059 22.725 1.00 0.00 ATOM 255 CG2 VAL A 30 18.519 86.702 22.198 1.00 0.00 ATOM 256 O VAL A 30 21.521 86.095 23.896 1.00 0.00 ATOM 257 C VAL A 30 20.580 86.780 24.292 1.00 0.00 ATOM 258 N GLU A 31 19.889 86.477 25.389 1.00 0.00 ATOM 259 CA GLU A 31 20.169 85.289 26.196 1.00 0.00 ATOM 260 CB GLU A 31 20.775 85.688 27.543 1.00 0.00 ATOM 261 CG GLU A 31 22.138 86.352 27.438 1.00 0.00 ATOM 262 CD GLU A 31 22.682 86.781 28.787 1.00 0.00 ATOM 263 OE1 GLU A 31 22.022 86.504 29.810 1.00 0.00 ATOM 264 OE2 GLU A 31 23.771 87.394 28.820 1.00 0.00 ATOM 265 O GLU A 31 18.298 84.596 27.555 1.00 0.00 ATOM 266 C GLU A 31 18.846 84.554 26.453 1.00 0.00 ATOM 267 N PRO A 32 18.344 83.888 25.461 1.00 0.00 ATOM 268 CA PRO A 32 17.079 83.161 25.615 1.00 0.00 ATOM 269 CB PRO A 32 16.693 82.803 24.175 1.00 0.00 ATOM 270 CG PRO A 32 17.502 83.774 23.320 1.00 0.00 ATOM 271 CD PRO A 32 18.804 83.850 24.061 1.00 0.00 ATOM 272 O PRO A 32 18.416 81.298 26.323 1.00 0.00 ATOM 273 C PRO A 32 17.287 81.767 26.203 1.00 0.00 ATOM 274 N ASN A 33 16.166 81.008 26.525 1.00 0.00 ATOM 275 CA ASN A 33 16.225 79.670 27.108 1.00 0.00 ATOM 276 CB ASN A 33 15.286 79.578 28.313 1.00 0.00 ATOM 277 CG ASN A 33 15.796 80.361 29.509 1.00 0.00 ATOM 278 ND2 ASN A 33 14.881 80.773 30.378 1.00 0.00 ATOM 279 OD1 ASN A 33 16.997 80.590 29.646 1.00 0.00 ATOM 280 O ASN A 33 16.102 77.493 26.111 1.00 0.00 ATOM 281 C ASN A 33 15.749 78.671 26.068 1.00 0.00 ATOM 282 N ILE A 34 14.886 79.139 25.160 1.00 0.00 ATOM 283 CA ILE A 34 14.320 78.292 24.121 1.00 0.00 ATOM 284 CB ILE A 34 12.789 78.200 24.261 1.00 0.00 ATOM 285 CG1 ILE A 34 12.411 77.668 25.646 1.00 0.00 ATOM 286 CG2 ILE A 34 12.213 77.262 23.211 1.00 0.00 ATOM 287 CD1 ILE A 34 12.910 76.267 25.919 1.00 0.00 ATOM 288 O ILE A 34 14.429 80.072 22.505 1.00 0.00 ATOM 289 C ILE A 34 14.662 78.889 22.755 1.00 0.00 ATOM 290 N LEU A 35 15.214 78.062 21.877 1.00 0.00 ATOM 291 CA LEU A 35 15.600 78.508 20.544 1.00 0.00 ATOM 292 CB LEU A 35 17.111 78.372 20.315 1.00 0.00 ATOM 293 CG LEU A 35 17.972 79.269 21.193 1.00 0.00 ATOM 294 CD1 LEU A 35 19.442 78.956 20.944 1.00 0.00 ATOM 295 CD2 LEU A 35 17.697 80.733 20.902 1.00 0.00 ATOM 296 O LEU A 35 14.891 76.507 19.442 1.00 0.00 ATOM 297 C LEU A 35 14.825 77.733 19.483 1.00 0.00 ATOM 298 N PHE A 36 14.110 78.444 18.621 1.00 0.00 ATOM 299 CA PHE A 36 13.339 77.834 17.545 1.00 0.00 ATOM 300 CB PHE A 36 11.951 78.470 17.452 1.00 0.00 ATOM 301 CG PHE A 36 11.070 78.177 18.634 1.00 0.00 ATOM 302 CD1 PHE A 36 11.023 79.045 19.711 1.00 0.00 ATOM 303 CD2 PHE A 36 10.289 77.036 18.668 1.00 0.00 ATOM 304 CE1 PHE A 36 10.213 78.776 20.797 1.00 0.00 ATOM 305 CE2 PHE A 36 9.480 76.766 19.755 1.00 0.00 ATOM 306 CZ PHE A 36 9.439 77.631 20.816 1.00 0.00 ATOM 307 O PHE A 36 14.563 79.188 16.005 1.00 0.00 ATOM 308 C PHE A 36 14.095 78.057 16.245 1.00 0.00 ATOM 309 N ILE A 37 14.259 77.010 15.446 1.00 0.00 ATOM 310 CA ILE A 37 14.943 77.225 14.151 1.00 0.00 ATOM 311 CB ILE A 37 16.436 76.860 14.234 1.00 0.00 ATOM 312 CG1 ILE A 37 17.146 77.214 12.926 1.00 0.00 ATOM 313 CG2 ILE A 37 16.608 75.370 14.487 1.00 0.00 ATOM 314 CD1 ILE A 37 18.655 77.160 13.015 1.00 0.00 ATOM 315 O ILE A 37 13.782 75.255 13.378 1.00 0.00 ATOM 316 C ILE A 37 14.256 76.333 13.114 1.00 0.00 ATOM 317 N GLY A 38 14.210 76.919 11.880 1.00 0.00 ATOM 318 CA GLY A 38 13.593 76.127 10.803 1.00 0.00 ATOM 319 O GLY A 38 13.982 78.067 9.417 1.00 0.00 ATOM 320 C GLY A 38 13.317 77.076 9.639 1.00 0.00 ATOM 321 N ASP A 39 12.223 76.729 8.964 1.00 0.00 ATOM 322 CA ASP A 39 11.811 77.409 7.740 1.00 0.00 ATOM 323 CB ASP A 39 11.306 76.400 6.706 1.00 0.00 ATOM 324 CG ASP A 39 10.080 75.645 7.183 1.00 0.00 ATOM 325 OD1 ASP A 39 9.550 75.991 8.260 1.00 0.00 ATOM 326 OD2 ASP A 39 9.648 74.709 6.478 1.00 0.00 ATOM 327 O ASP A 39 10.564 78.891 9.196 1.00 0.00 ATOM 328 C ASP A 39 10.695 78.398 8.037 1.00 0.00 ATOM 329 N SER A 40 9.906 78.833 6.949 1.00 0.00 ATOM 330 CA SER A 40 8.879 79.865 7.178 1.00 0.00 ATOM 331 CB SER A 40 8.100 80.141 5.890 1.00 0.00 ATOM 332 OG SER A 40 7.349 79.006 5.494 1.00 0.00 ATOM 333 O SER A 40 7.321 80.361 8.914 1.00 0.00 ATOM 334 C SER A 40 7.884 79.474 8.217 1.00 0.00 ATOM 335 N ILE A 41 7.594 78.198 8.422 1.00 0.00 ATOM 336 CA ILE A 41 6.628 77.797 9.431 1.00 0.00 ATOM 337 CB ILE A 41 6.380 76.271 9.378 1.00 0.00 ATOM 338 CG1 ILE A 41 5.659 75.915 8.075 1.00 0.00 ATOM 339 CG2 ILE A 41 5.578 75.823 10.590 1.00 0.00 ATOM 340 CD1 ILE A 41 5.484 74.422 7.859 1.00 0.00 ATOM 341 O ILE A 41 6.447 78.737 11.650 1.00 0.00 ATOM 342 C ILE A 41 7.167 78.175 10.813 1.00 0.00 ATOM 343 N VAL A 42 8.493 77.879 11.044 1.00 0.00 ATOM 344 CA VAL A 42 9.102 78.206 12.321 1.00 0.00 ATOM 345 CB VAL A 42 10.554 77.692 12.409 1.00 0.00 ATOM 346 CG1 VAL A 42 11.171 78.084 13.736 1.00 0.00 ATOM 347 CG2 VAL A 42 10.573 76.183 12.282 1.00 0.00 ATOM 348 O VAL A 42 8.733 80.221 13.558 1.00 0.00 ATOM 349 C VAL A 42 9.093 79.718 12.499 1.00 0.00 ATOM 350 N GLU A 43 9.472 80.436 11.480 1.00 0.00 ATOM 351 CA GLU A 43 9.528 81.898 11.483 1.00 0.00 ATOM 352 CB GLU A 43 9.975 82.419 10.116 1.00 0.00 ATOM 353 CG GLU A 43 10.106 83.932 10.040 1.00 0.00 ATOM 354 CD GLU A 43 10.583 84.408 8.682 1.00 0.00 ATOM 355 OE1 GLU A 43 10.826 83.554 7.804 1.00 0.00 ATOM 356 OE2 GLU A 43 10.715 85.636 8.495 1.00 0.00 ATOM 357 O GLU A 43 8.034 83.466 12.541 1.00 0.00 ATOM 358 C GLU A 43 8.168 82.553 11.720 1.00 0.00 ATOM 359 N TYR A 44 7.140 82.093 11.034 1.00 0.00 ATOM 360 CA TYR A 44 5.815 82.677 11.169 1.00 0.00 ATOM 361 CB TYR A 44 4.969 82.290 9.955 1.00 0.00 ATOM 362 CG TYR A 44 5.570 82.713 8.632 1.00 0.00 ATOM 363 CD1 TYR A 44 6.610 83.631 8.583 1.00 0.00 ATOM 364 CD2 TYR A 44 5.093 82.192 7.436 1.00 0.00 ATOM 365 CE1 TYR A 44 7.164 84.023 7.381 1.00 0.00 ATOM 366 CE2 TYR A 44 5.634 82.572 6.223 1.00 0.00 ATOM 367 CZ TYR A 44 6.678 83.496 6.204 1.00 0.00 ATOM 368 OH TYR A 44 7.228 83.885 5.003 1.00 0.00 ATOM 369 O TYR A 44 4.063 82.956 12.732 1.00 0.00 ATOM 370 C TYR A 44 5.115 82.289 12.417 1.00 0.00 ATOM 371 N TYR A 45 5.504 81.210 13.213 1.00 0.00 ATOM 372 CA TYR A 45 4.943 80.940 14.511 1.00 0.00 ATOM 373 CB TYR A 45 5.568 79.681 15.113 1.00 0.00 ATOM 374 CG TYR A 45 5.002 79.303 16.464 1.00 0.00 ATOM 375 CD1 TYR A 45 3.749 78.712 16.571 1.00 0.00 ATOM 376 CD2 TYR A 45 5.723 79.538 17.629 1.00 0.00 ATOM 377 CE1 TYR A 45 3.227 78.364 17.801 1.00 0.00 ATOM 378 CE2 TYR A 45 5.214 79.196 18.867 1.00 0.00 ATOM 379 CZ TYR A 45 3.954 78.604 18.945 1.00 0.00 ATOM 380 OH TYR A 45 3.434 78.258 20.171 1.00 0.00 ATOM 381 O TYR A 45 4.382 82.445 16.298 1.00 0.00 ATOM 382 C TYR A 45 5.213 82.116 15.434 1.00 0.00 ATOM 383 N PRO A 46 6.331 82.824 15.286 1.00 0.00 ATOM 384 CA PRO A 46 6.706 83.904 16.199 1.00 0.00 ATOM 385 CB PRO A 46 8.149 84.215 15.829 1.00 0.00 ATOM 386 CG PRO A 46 8.638 82.952 15.184 1.00 0.00 ATOM 387 CD PRO A 46 7.455 82.525 14.366 1.00 0.00 ATOM 388 O PRO A 46 5.837 86.023 16.888 1.00 0.00 ATOM 389 C PRO A 46 5.854 85.151 16.022 1.00 0.00 ATOM 390 N LEU A 47 5.151 85.237 14.852 1.00 0.00 ATOM 391 CA LEU A 47 4.312 86.396 14.581 1.00 0.00 ATOM 392 CB LEU A 47 3.501 86.135 13.310 1.00 0.00 ATOM 393 CG LEU A 47 4.295 86.046 12.005 1.00 0.00 ATOM 394 CD1 LEU A 47 3.392 85.644 10.850 1.00 0.00 ATOM 395 CD2 LEU A 47 4.928 87.388 11.670 1.00 0.00 ATOM 396 O LEU A 47 2.966 87.909 15.871 1.00 0.00 ATOM 397 C LEU A 47 3.309 86.742 15.677 1.00 0.00 ATOM 398 N GLN A 48 2.860 85.719 16.395 1.00 0.00 ATOM 399 CA GLN A 48 1.892 85.880 17.471 1.00 0.00 ATOM 400 CB GLN A 48 1.537 84.540 18.072 1.00 0.00 ATOM 401 CG GLN A 48 0.172 84.489 18.710 1.00 0.00 ATOM 402 CD GLN A 48 -0.912 84.176 17.704 1.00 0.00 ATOM 403 OE1 GLN A 48 -0.917 83.106 17.089 1.00 0.00 ATOM 404 NE2 GLN A 48 -1.842 85.107 17.529 1.00 0.00 ATOM 405 O GLN A 48 1.791 87.615 19.142 1.00 0.00 ATOM 406 C GLN A 48 2.451 86.703 18.631 1.00 0.00 ATOM 407 N GLU A 49 3.465 85.893 20.656 1.00 0.00 ATOM 408 CA GLU A 49 3.590 86.669 21.893 1.00 0.00 ATOM 409 CB GLU A 49 3.054 88.087 21.691 1.00 0.00 ATOM 410 CG GLU A 49 3.924 88.960 20.802 1.00 0.00 ATOM 411 CD GLU A 49 3.303 90.314 20.524 1.00 0.00 ATOM 412 OE1 GLU A 49 2.157 90.544 20.967 1.00 0.00 ATOM 413 OE2 GLU A 49 3.959 91.146 19.864 1.00 0.00 ATOM 414 O GLU A 49 3.241 86.048 24.189 1.00 0.00 ATOM 415 C GLU A 49 2.810 86.033 23.035 1.00 0.00 ATOM 416 N LEU A 50 1.639 85.469 22.712 1.00 0.00 ATOM 417 CA LEU A 50 0.810 84.812 23.712 1.00 0.00 ATOM 418 CB LEU A 50 -0.574 84.501 23.138 1.00 0.00 ATOM 419 CG LEU A 50 -1.476 85.703 22.853 1.00 0.00 ATOM 420 CD1 LEU A 50 -2.739 85.266 22.126 1.00 0.00 ATOM 421 CD2 LEU A 50 -1.886 86.387 24.147 1.00 0.00 ATOM 422 O LEU A 50 1.294 83.214 25.433 1.00 0.00 ATOM 423 C LEU A 50 1.362 83.490 24.231 1.00 0.00 ATOM 424 N PHE A 51 1.916 82.685 23.333 1.00 0.00 ATOM 425 CA PHE A 51 2.424 81.371 23.700 1.00 0.00 ATOM 426 CB PHE A 51 2.141 80.401 22.530 1.00 0.00 ATOM 427 CG PHE A 51 0.679 80.133 22.319 1.00 0.00 ATOM 428 CD1 PHE A 51 -0.028 79.336 23.213 1.00 0.00 ATOM 429 CD2 PHE A 51 -0.008 80.724 21.263 1.00 0.00 ATOM 430 CE1 PHE A 51 -1.399 79.130 23.062 1.00 0.00 ATOM 431 CE2 PHE A 51 -1.381 80.526 21.104 1.00 0.00 ATOM 432 CZ PHE A 51 -2.076 79.727 22.007 1.00 0.00 ATOM 433 O PHE A 51 4.293 80.532 24.928 1.00 0.00 ATOM 434 C PHE A 51 3.916 81.213 23.976 1.00 0.00 ATOM 435 N GLY A 52 4.765 81.847 23.174 1.00 0.00 ATOM 436 CA GLY A 52 6.200 81.675 23.354 1.00 0.00 ATOM 437 O GLY A 52 8.042 82.538 24.577 1.00 0.00 ATOM 438 C GLY A 52 6.999 82.795 23.999 1.00 0.00 ATOM 439 N THR A 53 6.656 84.013 23.792 1.00 0.00 ATOM 440 CA THR A 53 7.432 85.168 24.251 1.00 0.00 ATOM 441 CB THR A 53 6.699 86.502 24.020 1.00 0.00 ATOM 442 CG2 THR A 53 7.543 87.665 24.516 1.00 0.00 ATOM 443 OG1 THR A 53 6.445 86.675 22.622 1.00 0.00 ATOM 444 O THR A 53 8.848 85.276 26.164 1.00 0.00 ATOM 445 C THR A 53 7.711 85.016 25.736 1.00 0.00 ATOM 446 N SER A 54 6.756 84.575 26.531 1.00 0.00 ATOM 447 CA SER A 54 6.956 84.327 27.942 1.00 0.00 ATOM 448 CB SER A 54 5.637 83.924 28.606 1.00 0.00 ATOM 449 OG SER A 54 5.176 82.679 28.111 1.00 0.00 ATOM 450 O SER A 54 8.523 83.161 29.324 1.00 0.00 ATOM 451 C SER A 54 7.941 83.215 28.243 1.00 0.00 ATOM 452 N LYS A 55 8.179 82.293 27.314 1.00 0.00 ATOM 453 CA LYS A 55 9.201 81.269 27.503 1.00 0.00 ATOM 454 CB LYS A 55 8.936 80.071 26.589 1.00 0.00 ATOM 455 CG LYS A 55 7.660 79.311 26.917 1.00 0.00 ATOM 456 CD LYS A 55 7.735 78.676 28.296 1.00 0.00 ATOM 457 CE LYS A 55 6.474 77.886 28.609 1.00 0.00 ATOM 458 NZ LYS A 55 6.566 77.193 29.924 1.00 0.00 ATOM 459 O LYS A 55 11.535 80.934 27.370 1.00 0.00 ATOM 460 C LYS A 55 10.595 81.739 27.185 1.00 0.00 ATOM 461 N THR A 56 10.865 82.966 26.820 1.00 0.00 ATOM 462 CA THR A 56 12.159 83.541 26.569 1.00 0.00 ATOM 463 CB THR A 56 13.100 83.339 27.772 1.00 0.00 ATOM 464 CG2 THR A 56 14.392 84.115 27.575 1.00 0.00 ATOM 465 OG1 THR A 56 12.459 83.799 28.968 1.00 0.00 ATOM 466 O THR A 56 13.670 82.022 25.442 1.00 0.00 ATOM 467 C THR A 56 12.775 82.853 25.320 1.00 0.00 ATOM 468 N ILE A 57 12.197 83.199 24.190 1.00 0.00 ATOM 469 CA ILE A 57 12.484 82.446 22.974 1.00 0.00 ATOM 470 CB ILE A 57 11.216 81.781 22.408 1.00 0.00 ATOM 471 CG1 ILE A 57 10.164 82.840 22.072 1.00 0.00 ATOM 472 CG2 ILE A 57 10.622 80.817 23.422 1.00 0.00 ATOM 473 CD1 ILE A 57 8.966 82.296 21.326 1.00 0.00 ATOM 474 O ILE A 57 12.915 84.534 21.860 1.00 0.00 ATOM 475 C ILE A 57 13.139 83.322 21.914 1.00 0.00 ATOM 476 N VAL A 58 13.998 82.687 21.043 1.00 0.00 ATOM 477 CA VAL A 58 14.432 83.390 19.846 1.00 0.00 ATOM 478 CB VAL A 58 15.969 83.426 19.780 1.00 0.00 ATOM 479 CG1 VAL A 58 16.432 84.019 18.457 1.00 0.00 ATOM 480 CG2 VAL A 58 16.533 84.274 20.910 1.00 0.00 ATOM 481 O VAL A 58 14.203 81.347 18.584 1.00 0.00 ATOM 482 C VAL A 58 14.029 82.570 18.622 1.00 0.00 ATOM 483 N ASN A 59 13.499 83.258 17.626 1.00 0.00 ATOM 484 CA ASN A 59 13.045 82.621 16.398 1.00 0.00 ATOM 485 CB ASN A 59 11.659 83.159 16.032 1.00 0.00 ATOM 486 CG ASN A 59 10.627 82.891 17.109 1.00 0.00 ATOM 487 ND2 ASN A 59 10.155 83.952 17.753 1.00 0.00 ATOM 488 OD1 ASN A 59 10.259 81.742 17.357 1.00 0.00 ATOM 489 O ASN A 59 14.154 83.964 14.735 1.00 0.00 ATOM 490 C ASN A 59 13.996 82.871 15.261 1.00 0.00 ATOM 491 N ARG A 60 14.711 81.767 14.894 1.00 0.00 ATOM 492 CA ARG A 60 15.682 81.800 13.803 1.00 0.00 ATOM 493 CB ARG A 60 17.091 81.953 14.894 1.00 0.00 ATOM 494 CG ARG A 60 17.604 80.545 15.197 1.00 0.00 ATOM 495 CD ARG A 60 18.566 80.553 16.386 1.00 0.00 ATOM 496 NE ARG A 60 19.249 79.290 16.663 1.00 0.00 ATOM 497 CZ ARG A 60 20.464 78.980 16.215 1.00 0.00 ATOM 498 NH1 ARG A 60 21.017 77.813 16.529 1.00 0.00 ATOM 499 NH2 ARG A 60 21.130 79.831 15.445 1.00 0.00 ATOM 500 O ARG A 60 15.891 80.505 11.765 1.00 0.00 ATOM 501 C ARG A 60 15.101 81.114 12.567 1.00 0.00 ATOM 502 N GLY A 61 13.830 81.180 12.314 1.00 0.00 ATOM 503 CA GLY A 61 13.273 80.642 11.040 1.00 0.00 ATOM 504 O GLY A 61 13.156 82.687 9.817 1.00 0.00 ATOM 505 C GLY A 61 13.462 81.485 9.793 1.00 0.00 ATOM 506 N ILE A 62 13.965 80.888 8.719 1.00 0.00 ATOM 507 CA ILE A 62 14.220 81.599 7.480 1.00 0.00 ATOM 508 CB ILE A 62 15.726 81.685 7.199 1.00 0.00 ATOM 509 CG1 ILE A 62 16.471 82.267 8.410 1.00 0.00 ATOM 510 CG2 ILE A 62 16.015 82.554 5.898 1.00 0.00 ATOM 511 CD1 ILE A 62 17.963 82.010 8.336 1.00 0.00 ATOM 512 O ILE A 62 13.585 79.694 6.148 1.00 0.00 ATOM 513 C ILE A 62 13.412 80.878 6.380 1.00 0.00 ATOM 514 N ARG A 63 12.615 81.669 5.640 1.00 0.00 ATOM 515 CA ARG A 63 11.819 81.084 4.535 1.00 0.00 ATOM 516 CB ARG A 63 10.961 82.160 3.866 1.00 0.00 ATOM 517 CG ARG A 63 10.066 81.638 2.754 1.00 0.00 ATOM 518 CD ARG A 63 9.241 82.754 2.138 1.00 0.00 ATOM 519 NE ARG A 63 8.419 82.280 1.027 1.00 0.00 ATOM 520 CZ ARG A 63 7.588 83.049 0.331 1.00 0.00 ATOM 521 NH1 ARG A 63 6.881 82.529 -0.664 1.00 0.00 ATOM 522 NH2 ARG A 63 7.465 84.334 0.631 1.00 0.00 ATOM 523 O ARG A 63 13.810 81.022 3.132 1.00 0.00 ATOM 524 C ARG A 63 12.762 80.494 3.502 1.00 0.00 ATOM 525 N GLY A 64 12.377 79.303 3.011 1.00 0.00 ATOM 526 CA GLY A 64 13.079 78.609 1.964 1.00 0.00 ATOM 527 O GLY A 64 15.088 77.387 1.567 1.00 0.00 ATOM 528 C GLY A 64 14.303 77.867 2.390 1.00 0.00 ATOM 529 N TYR A 65 14.542 77.674 3.761 1.00 0.00 ATOM 530 CA TYR A 65 15.753 76.901 4.124 1.00 0.00 ATOM 531 CB TYR A 65 16.081 77.144 5.603 1.00 0.00 ATOM 532 CG TYR A 65 16.929 78.332 5.881 1.00 0.00 ATOM 533 CD1 TYR A 65 16.495 79.636 5.804 1.00 0.00 ATOM 534 CD2 TYR A 65 18.284 78.192 6.260 1.00 0.00 ATOM 535 CE1 TYR A 65 17.252 80.757 6.059 1.00 0.00 ATOM 536 CE2 TYR A 65 19.051 79.293 6.517 1.00 0.00 ATOM 537 CZ TYR A 65 18.589 80.586 6.435 1.00 0.00 ATOM 538 OH TYR A 65 19.327 81.706 6.663 1.00 0.00 ATOM 539 O TYR A 65 14.409 74.914 4.105 1.00 0.00 ATOM 540 C TYR A 65 15.531 75.405 3.967 1.00 0.00 ATOM 541 N GLN A 66 16.616 74.694 3.670 1.00 0.00 ATOM 542 CA GLN A 66 16.590 73.242 3.525 1.00 0.00 ATOM 543 CB GLN A 66 17.156 72.827 2.167 1.00 0.00 ATOM 544 CG GLN A 66 16.340 73.313 0.980 1.00 0.00 ATOM 545 CD GLN A 66 16.995 72.991 -0.348 1.00 0.00 ATOM 546 OE1 GLN A 66 18.016 72.307 -0.399 1.00 0.00 ATOM 547 NE2 GLN A 66 16.404 73.483 -1.434 1.00 0.00 ATOM 548 O GLN A 66 18.047 73.449 5.424 1.00 0.00 ATOM 549 C GLN A 66 17.451 72.694 4.659 1.00 0.00 ATOM 550 N THR A 67 17.516 71.373 4.740 1.00 0.00 ATOM 551 CA THR A 67 18.342 70.751 5.773 1.00 0.00 ATOM 552 CB THR A 67 18.387 69.251 5.577 1.00 0.00 ATOM 553 CG2 THR A 67 19.237 68.590 6.654 1.00 0.00 ATOM 554 OG1 THR A 67 17.044 68.747 5.644 1.00 0.00 ATOM 555 O THR A 67 20.374 71.500 6.822 1.00 0.00 ATOM 556 C THR A 67 19.797 71.216 5.776 1.00 0.00 ATOM 557 N GLY A 68 20.398 71.271 4.579 1.00 0.00 ATOM 558 CA GLY A 68 21.807 71.616 4.486 1.00 0.00 ATOM 559 O GLY A 68 23.179 73.298 5.500 1.00 0.00 ATOM 560 C GLY A 68 22.088 73.017 4.993 1.00 0.00 ATOM 561 N LEU A 69 21.098 73.947 4.865 1.00 0.00 ATOM 562 CA LEU A 69 21.274 75.312 5.331 1.00 0.00 ATOM 563 CB LEU A 69 20.160 76.188 4.756 1.00 0.00 ATOM 564 CG LEU A 69 20.209 76.447 3.250 1.00 0.00 ATOM 565 CD1 LEU A 69 18.956 77.174 2.788 1.00 0.00 ATOM 566 CD2 LEU A 69 21.414 77.301 2.889 1.00 0.00 ATOM 567 O LEU A 69 22.066 76.040 7.483 1.00 0.00 ATOM 568 C LEU A 69 21.268 75.340 6.859 1.00 0.00 ATOM 569 N LEU A 70 20.348 74.572 7.457 1.00 0.00 ATOM 570 CA LEU A 70 20.245 74.500 8.909 1.00 0.00 ATOM 571 CB LEU A 70 19.057 73.636 9.337 1.00 0.00 ATOM 572 CG LEU A 70 18.863 73.450 10.842 1.00 0.00 ATOM 573 CD1 LEU A 70 18.618 74.787 11.523 1.00 0.00 ATOM 574 CD2 LEU A 70 17.670 72.549 11.124 1.00 0.00 ATOM 575 O LEU A 70 22.065 74.315 10.455 1.00 0.00 ATOM 576 C LEU A 70 21.536 73.842 9.436 1.00 0.00 ATOM 577 N LEU A 71 22.054 72.817 8.748 1.00 0.00 ATOM 578 CA LEU A 71 23.298 72.189 9.177 1.00 0.00 ATOM 579 CB LEU A 71 23.678 71.050 8.230 1.00 0.00 ATOM 580 CG LEU A 71 24.985 70.318 8.539 1.00 0.00 ATOM 581 CD1 LEU A 71 24.918 69.652 9.906 1.00 0.00 ATOM 582 CD2 LEU A 71 25.258 69.243 7.500 1.00 0.00 ATOM 583 O LEU A 71 25.213 73.313 10.135 1.00 0.00 ATOM 584 C LEU A 71 24.448 73.182 9.177 1.00 0.00 ATOM 585 N GLU A 72 24.564 73.965 8.096 1.00 0.00 ATOM 586 CA GLU A 72 25.598 74.984 8.021 1.00 0.00 ATOM 587 CB GLU A 72 25.564 75.683 6.660 1.00 0.00 ATOM 588 CG GLU A 72 26.043 74.819 5.506 1.00 0.00 ATOM 589 CD GLU A 72 25.878 75.501 4.161 1.00 0.00 ATOM 590 OE1 GLU A 72 25.322 76.619 4.125 1.00 0.00 ATOM 591 OE2 GLU A 72 26.305 74.917 3.143 1.00 0.00 ATOM 592 O GLU A 72 26.393 76.504 9.691 1.00 0.00 ATOM 593 C GLU A 72 25.424 76.050 9.097 1.00 0.00 ATOM 594 N ASN A 73 24.174 76.458 9.322 1.00 0.00 ATOM 595 CA ASN A 73 23.891 77.442 10.362 1.00 0.00 ATOM 596 CB ASN A 73 22.424 77.876 10.344 1.00 0.00 ATOM 597 CG ASN A 73 22.097 78.768 9.162 1.00 0.00 ATOM 598 ND2 ASN A 73 20.814 78.860 8.830 1.00 0.00 ATOM 599 OD1 ASN A 73 22.986 79.367 8.558 1.00 0.00 ATOM 600 O ASN A 73 24.757 77.532 12.598 1.00 0.00 ATOM 601 C ASN A 73 24.209 76.849 11.738 1.00 0.00 ATOM 602 N LEU A 74 23.812 75.597 11.971 1.00 0.00 ATOM 603 CA LEU A 74 24.108 74.944 13.252 1.00 0.00 ATOM 604 CB LEU A 74 23.565 73.514 13.261 1.00 0.00 ATOM 605 CG LEU A 74 22.043 73.366 13.308 1.00 0.00 ATOM 606 CD1 LEU A 74 21.638 71.913 13.119 1.00 0.00 ATOM 607 CD2 LEU A 74 21.499 73.842 14.646 1.00 0.00 ATOM 608 O LEU A 74 26.084 75.157 14.594 1.00 0.00 ATOM 609 C LEU A 74 25.614 74.874 13.494 1.00 0.00 ATOM 610 N ASP A 75 26.385 74.503 12.455 1.00 0.00 ATOM 611 CA ASP A 75 27.834 74.410 12.597 1.00 0.00 ATOM 612 CB ASP A 75 28.470 73.779 11.357 1.00 0.00 ATOM 613 CG ASP A 75 28.232 72.285 11.275 1.00 0.00 ATOM 614 OD1 ASP A 75 27.781 71.699 12.283 1.00 0.00 ATOM 615 OD2 ASP A 75 28.496 71.699 10.205 1.00 0.00 ATOM 616 O ASP A 75 29.426 75.935 13.553 1.00 0.00 ATOM 617 C ASP A 75 28.455 75.786 12.813 1.00 0.00 ATOM 618 N ALA A 76 27.880 76.816 12.166 1.00 0.00 ATOM 619 CA ALA A 76 28.377 78.178 12.283 1.00 0.00 ATOM 620 CB ALA A 76 27.651 79.101 11.317 1.00 0.00 ATOM 621 O ALA A 76 29.118 79.197 14.337 1.00 0.00 ATOM 622 C ALA A 76 28.173 78.708 13.704 1.00 0.00 ATOM 623 N HIS A 77 26.950 78.581 14.224 1.00 0.00 ATOM 624 CA HIS A 77 26.659 79.112 15.563 1.00 0.00 ATOM 625 CB HIS A 77 25.053 79.341 15.587 1.00 0.00 ATOM 626 CG HIS A 77 24.541 80.549 14.868 1.00 0.00 ATOM 627 CD2 HIS A 77 23.999 81.698 15.338 1.00 0.00 ATOM 628 ND1 HIS A 77 24.513 80.647 13.494 1.00 0.00 ATOM 629 CE1 HIS A 77 23.974 81.804 13.147 1.00 0.00 ATOM 630 NE2 HIS A 77 23.654 82.460 14.248 1.00 0.00 ATOM 631 O HIS A 77 27.543 78.869 17.770 1.00 0.00 ATOM 632 C HIS A 77 27.239 78.308 16.715 1.00 0.00 ATOM 633 N LEU A 78 24.451 79.063 17.397 1.00 0.00 ATOM 634 CA LEU A 78 24.474 78.410 18.706 1.00 0.00 ATOM 635 CB LEU A 78 24.672 76.901 18.548 1.00 0.00 ATOM 636 CG LEU A 78 23.545 76.139 17.848 1.00 0.00 ATOM 637 CD1 LEU A 78 23.916 74.675 17.668 1.00 0.00 ATOM 638 CD2 LEU A 78 22.263 76.206 18.664 1.00 0.00 ATOM 639 O LEU A 78 25.819 78.286 20.660 1.00 0.00 ATOM 640 C LEU A 78 25.594 78.941 19.559 1.00 0.00 ATOM 641 N TYR A 79 26.272 79.983 19.259 1.00 0.00 ATOM 642 CA TYR A 79 27.370 80.467 20.120 1.00 0.00 ATOM 643 CB TYR A 79 28.057 81.650 19.447 1.00 0.00 ATOM 644 CG TYR A 79 29.032 81.212 18.383 1.00 0.00 ATOM 645 CD1 TYR A 79 28.807 81.514 17.043 1.00 0.00 ATOM 646 CD2 TYR A 79 30.186 80.500 18.717 1.00 0.00 ATOM 647 CE1 TYR A 79 29.706 81.123 16.055 1.00 0.00 ATOM 648 CE2 TYR A 79 31.096 80.101 17.733 1.00 0.00 ATOM 649 CZ TYR A 79 30.848 80.418 16.407 1.00 0.00 ATOM 650 OH TYR A 79 31.736 80.038 15.426 1.00 0.00 ATOM 651 O TYR A 79 25.806 82.051 21.071 1.00 0.00 ATOM 652 C TYR A 79 26.811 81.361 21.191 1.00 0.00 ATOM 653 N GLY A 80 27.524 81.361 22.348 1.00 0.00 ATOM 654 CA GLY A 80 27.307 82.340 23.433 1.00 0.00 ATOM 655 O GLY A 80 25.752 82.921 25.151 1.00 0.00 ATOM 656 C GLY A 80 26.051 82.116 24.266 1.00 0.00 ATOM 657 N GLY A 81 25.244 80.997 24.032 1.00 0.00 ATOM 658 CA GLY A 81 24.030 80.730 24.789 1.00 0.00 ATOM 659 O GLY A 81 24.751 78.434 24.834 1.00 0.00 ATOM 660 C GLY A 81 23.984 79.298 25.289 1.00 0.00 ATOM 661 N ALA A 82 23.080 79.025 26.229 1.00 0.00 ATOM 662 CA ALA A 82 22.960 77.706 26.852 1.00 0.00 ATOM 663 CB ALA A 82 23.730 77.673 28.163 1.00 0.00 ATOM 664 O ALA A 82 20.979 77.339 28.242 1.00 0.00 ATOM 665 C ALA A 82 21.532 77.400 27.119 1.00 0.00 ATOM 666 N VAL A 83 20.725 77.183 26.059 1.00 0.00 ATOM 667 CA VAL A 83 19.315 76.966 26.170 1.00 0.00 ATOM 668 CB VAL A 83 18.630 76.987 24.791 1.00 0.00 ATOM 669 CG1 VAL A 83 18.847 78.328 24.108 1.00 0.00 ATOM 670 CG2 VAL A 83 19.198 75.895 23.897 1.00 0.00 ATOM 671 O VAL A 83 19.763 74.688 26.786 1.00 0.00 ATOM 672 C VAL A 83 18.985 75.654 26.794 1.00 0.00 ATOM 673 N ASP A 84 17.810 75.593 27.438 1.00 0.00 ATOM 674 CA ASP A 84 17.267 74.351 27.899 1.00 0.00 ATOM 675 CB ASP A 84 16.130 74.599 28.893 1.00 0.00 ATOM 676 CG ASP A 84 16.629 75.086 30.240 1.00 0.00 ATOM 677 OD1 ASP A 84 17.850 74.999 30.488 1.00 0.00 ATOM 678 OD2 ASP A 84 15.799 75.554 31.047 1.00 0.00 ATOM 679 O ASP A 84 16.717 72.240 26.933 1.00 0.00 ATOM 680 C ASP A 84 16.695 73.433 26.853 1.00 0.00 ATOM 681 N LYS A 85 16.082 74.088 25.804 1.00 0.00 ATOM 682 CA LYS A 85 15.396 73.358 24.741 1.00 0.00 ATOM 683 CB LYS A 85 13.890 73.333 25.010 1.00 0.00 ATOM 684 CG LYS A 85 13.490 72.525 26.232 1.00 0.00 ATOM 685 CD LYS A 85 11.979 72.468 26.388 1.00 0.00 ATOM 686 CE LYS A 85 11.580 71.657 27.608 1.00 0.00 ATOM 687 NZ LYS A 85 10.102 71.617 27.790 1.00 0.00 ATOM 688 O LYS A 85 15.695 75.281 23.318 1.00 0.00 ATOM 689 C LYS A 85 15.680 74.082 23.408 1.00 0.00 ATOM 690 N ILE A 86 15.929 73.232 22.413 1.00 0.00 ATOM 691 CA ILE A 86 16.034 73.719 21.009 1.00 0.00 ATOM 692 CB ILE A 86 17.406 73.382 20.395 1.00 0.00 ATOM 693 CG1 ILE A 86 18.525 74.052 21.193 1.00 0.00 ATOM 694 CG2 ILE A 86 17.480 73.869 18.957 1.00 0.00 ATOM 695 CD1 ILE A 86 19.914 73.595 20.800 1.00 0.00 ATOM 696 O ILE A 86 14.795 71.789 20.288 1.00 0.00 ATOM 697 C ILE A 86 14.897 72.988 20.262 1.00 0.00 ATOM 698 N PHE A 87 14.083 73.804 19.578 1.00 0.00 ATOM 699 CA PHE A 87 12.972 73.353 18.766 1.00 0.00 ATOM 700 CB PHE A 87 11.680 74.120 19.136 1.00 0.00 ATOM 701 CG PHE A 87 11.253 74.021 20.562 1.00 0.00 ATOM 702 CD1 PHE A 87 11.943 74.691 21.569 1.00 0.00 ATOM 703 CD2 PHE A 87 10.136 73.237 20.904 1.00 0.00 ATOM 704 CE1 PHE A 87 11.539 74.581 22.910 1.00 0.00 ATOM 705 CE2 PHE A 87 9.711 73.119 22.249 1.00 0.00 ATOM 706 CZ PHE A 87 10.420 73.794 23.258 1.00 0.00 ATOM 707 O PHE A 87 13.802 74.539 16.856 1.00 0.00 ATOM 708 C PHE A 87 13.372 73.469 17.257 1.00 0.00 ATOM 709 N LEU A 88 13.205 72.366 16.582 1.00 0.00 ATOM 710 CA LEU A 88 13.626 72.232 15.162 1.00 0.00 ATOM 711 CB LEU A 88 14.628 71.087 15.002 1.00 0.00 ATOM 712 CG LEU A 88 15.936 71.216 15.783 1.00 0.00 ATOM 713 CD1 LEU A 88 16.776 69.955 15.638 1.00 0.00 ATOM 714 CD2 LEU A 88 16.754 72.393 15.274 1.00 0.00 ATOM 715 O LEU A 88 11.714 70.910 14.563 1.00 0.00 ATOM 716 C LEU A 88 12.432 71.869 14.286 1.00 0.00 ATOM 717 N LEU A 89 12.154 72.722 13.275 1.00 0.00 ATOM 718 CA LEU A 89 11.074 72.468 12.329 1.00 0.00 ATOM 719 CB LEU A 89 9.859 73.314 12.717 1.00 0.00 ATOM 720 CG LEU A 89 8.583 73.079 11.907 1.00 0.00 ATOM 721 CD1 LEU A 89 8.094 71.649 12.076 1.00 0.00 ATOM 722 CD2 LEU A 89 7.476 74.017 12.364 1.00 0.00 ATOM 723 O LEU A 89 11.398 73.971 10.532 1.00 0.00 ATOM 724 C LEU A 89 11.452 72.803 10.906 1.00 0.00 ATOM 725 N ILE A 90 11.890 71.785 10.207 1.00 0.00 ATOM 726 CA ILE A 90 12.469 72.000 8.867 1.00 0.00 ATOM 727 CB ILE A 90 13.946 72.418 8.980 1.00 0.00 ATOM 728 CG1 ILE A 90 14.481 72.864 7.617 1.00 0.00 ATOM 729 CG2 ILE A 90 14.794 71.255 9.472 1.00 0.00 ATOM 730 CD1 ILE A 90 15.798 73.604 7.690 1.00 0.00 ATOM 731 O ILE A 90 12.407 69.627 8.681 1.00 0.00 ATOM 732 C ILE A 90 12.380 70.704 8.094 1.00 0.00 ATOM 733 N GLY A 91 12.344 70.789 6.748 1.00 0.00 ATOM 734 CA GLY A 91 12.355 69.659 5.872 1.00 0.00 ATOM 735 O GLY A 91 11.518 69.080 3.724 1.00 0.00 ATOM 736 C GLY A 91 11.340 69.739 4.748 1.00 0.00 ATOM 737 N THR A 92 10.287 70.551 4.902 1.00 0.00 ATOM 738 CA THR A 92 9.274 70.621 3.851 1.00 0.00 ATOM 739 CB THR A 92 8.048 71.435 4.302 1.00 0.00 ATOM 740 CG2 THR A 92 7.415 70.808 5.534 1.00 0.00 ATOM 741 OG1 THR A 92 8.451 72.774 4.620 1.00 0.00 ATOM 742 O THR A 92 9.235 71.119 1.535 1.00 0.00 ATOM 743 C THR A 92 9.827 71.276 2.606 1.00 0.00 ATOM 744 N ASN A 93 10.919 72.051 2.702 1.00 0.00 ATOM 745 CA ASN A 93 11.493 72.714 1.534 1.00 0.00 ATOM 746 CB ASN A 93 12.102 74.060 1.930 1.00 0.00 ATOM 747 CG ASN A 93 11.052 75.087 2.306 1.00 0.00 ATOM 748 ND2 ASN A 93 11.429 76.033 3.159 1.00 0.00 ATOM 749 OD1 ASN A 93 9.916 75.029 1.835 1.00 0.00 ATOM 750 O ASN A 93 13.190 72.405 -0.110 1.00 0.00 ATOM 751 C ASN A 93 12.572 71.926 0.881 1.00 0.00 ATOM 752 N ASP A 94 12.875 70.697 1.305 1.00 0.00 ATOM 753 CA ASP A 94 14.018 69.936 0.780 1.00 0.00 ATOM 754 CB ASP A 94 14.428 68.837 1.763 1.00 0.00 ATOM 755 CG ASP A 94 15.009 69.392 3.049 1.00 0.00 ATOM 756 OD1 ASP A 94 15.425 70.570 3.052 1.00 0.00 ATOM 757 OD2 ASP A 94 15.047 68.651 4.051 1.00 0.00 ATOM 758 O ASP A 94 12.773 68.206 -0.327 1.00 0.00 ATOM 759 C ASP A 94 13.393 69.269 -0.434 1.00 0.00 ATOM 760 N ILE A 95 13.496 70.020 -1.600 1.00 0.00 ATOM 761 CA ILE A 95 12.925 69.547 -2.851 1.00 0.00 ATOM 762 CB ILE A 95 12.773 70.660 -3.752 1.00 0.00 ATOM 763 CG1 ILE A 95 13.293 72.089 -3.520 1.00 0.00 ATOM 764 CG2 ILE A 95 11.249 70.622 -3.778 1.00 0.00 ATOM 765 CD1 ILE A 95 13.159 73.037 -4.704 1.00 0.00 ATOM 766 O ILE A 95 15.172 69.499 -3.697 1.00 0.00 ATOM 767 C ILE A 95 14.096 68.920 -3.565 1.00 0.00 ATOM 768 N GLY A 96 13.864 67.759 -4.132 1.00 0.00 ATOM 769 CA GLY A 96 14.872 66.974 -4.838 1.00 0.00 ATOM 770 O GLY A 96 14.925 65.542 -2.949 1.00 0.00 ATOM 771 C GLY A 96 15.473 65.896 -3.986 1.00 0.00 ATOM 772 N LYS A 97 16.576 65.333 -4.468 1.00 0.00 ATOM 773 CA LYS A 97 17.177 64.145 -3.940 1.00 0.00 ATOM 774 CB LYS A 97 16.929 62.983 -4.954 1.00 0.00 ATOM 775 CG LYS A 97 17.379 63.443 -6.297 1.00 0.00 ATOM 776 CD LYS A 97 18.711 62.974 -6.613 1.00 0.00 ATOM 777 CE LYS A 97 18.567 61.797 -7.542 1.00 0.00 ATOM 778 NZ LYS A 97 17.896 60.715 -6.792 1.00 0.00 ATOM 779 O LYS A 97 19.367 65.077 -3.587 1.00 0.00 ATOM 780 C LYS A 97 18.448 64.360 -3.157 1.00 0.00 ATOM 781 N ASP A 98 18.413 63.765 -1.893 1.00 0.00 ATOM 782 CA ASP A 98 19.536 63.909 -0.964 1.00 0.00 ATOM 783 CB ASP A 98 20.865 63.534 -1.679 1.00 0.00 ATOM 784 CG ASP A 98 20.983 62.105 -2.103 1.00 0.00 ATOM 785 OD1 ASP A 98 20.458 61.180 -1.457 1.00 0.00 ATOM 786 OD2 ASP A 98 21.741 61.768 -3.049 1.00 0.00 ATOM 787 O ASP A 98 20.567 65.498 0.501 1.00 0.00 ATOM 788 C ASP A 98 19.729 65.309 -0.378 1.00 0.00 ATOM 789 N VAL A 99 18.945 66.286 -0.843 1.00 0.00 ATOM 790 CA VAL A 99 19.024 67.642 -0.292 1.00 0.00 ATOM 791 CB VAL A 99 18.786 68.703 -1.383 1.00 0.00 ATOM 792 CG1 VAL A 99 19.893 68.656 -2.425 1.00 0.00 ATOM 793 CG2 VAL A 99 17.457 68.458 -2.082 1.00 0.00 ATOM 794 O VAL A 99 16.895 67.164 0.722 1.00 0.00 ATOM 795 C VAL A 99 17.955 67.784 0.794 1.00 0.00 ATOM 796 N PRO A 100 15.779 63.877 -0.673 1.00 0.00 ATOM 797 CA PRO A 100 14.775 62.935 -0.176 1.00 0.00 ATOM 798 CB PRO A 100 13.800 62.866 -1.477 1.00 0.00 ATOM 799 CG PRO A 100 14.859 62.521 -2.456 1.00 0.00 ATOM 800 CD PRO A 100 16.148 63.134 -1.975 1.00 0.00 ATOM 801 O PRO A 100 15.361 60.647 0.321 1.00 0.00 ATOM 802 C PRO A 100 15.462 61.835 0.640 1.00 0.00 ATOM 803 N VAL A 101 14.031 60.395 0.688 1.00 0.00 ATOM 804 CA VAL A 101 13.587 60.473 2.048 1.00 0.00 ATOM 805 CB VAL A 101 12.359 59.576 2.293 1.00 0.00 ATOM 806 CG1 VAL A 101 12.029 59.518 3.778 1.00 0.00 ATOM 807 CG2 VAL A 101 11.147 60.117 1.552 1.00 0.00 ATOM 808 O VAL A 101 14.822 60.603 4.131 1.00 0.00 ATOM 809 C VAL A 101 14.668 60.031 3.043 1.00 0.00 ATOM 810 N ASN A 102 15.383 58.969 2.685 1.00 0.00 ATOM 811 CA ASN A 102 16.477 58.516 3.559 1.00 0.00 ATOM 812 CB ASN A 102 17.107 57.234 3.009 1.00 0.00 ATOM 813 CG ASN A 102 16.214 56.022 3.191 1.00 0.00 ATOM 814 ND2 ASN A 102 16.468 54.978 2.410 1.00 0.00 ATOM 815 OD1 ASN A 102 15.308 56.026 4.023 1.00 0.00 ATOM 816 O ASN A 102 18.144 59.713 4.792 1.00 0.00 ATOM 817 C ASN A 102 17.577 59.559 3.711 1.00 0.00 ATOM 818 N GLU A 103 17.879 60.271 2.626 1.00 0.00 ATOM 819 CA GLU A 103 18.910 61.307 2.648 1.00 0.00 ATOM 820 CB GLU A 103 19.345 61.577 1.143 1.00 0.00 ATOM 821 CG GLU A 103 19.994 60.344 0.497 1.00 0.00 ATOM 822 CD GLU A 103 21.381 60.065 0.995 1.00 0.00 ATOM 823 OE1 GLU A 103 22.225 60.950 0.933 1.00 0.00 ATOM 824 OE2 GLU A 103 21.610 58.921 1.490 1.00 0.00 ATOM 825 O GLU A 103 19.180 62.973 4.367 1.00 0.00 ATOM 826 C GLU A 103 18.432 62.438 3.530 1.00 0.00 ATOM 827 N ALA A 104 17.156 62.860 3.429 1.00 0.00 ATOM 828 CA ALA A 104 16.621 63.963 4.267 1.00 0.00 ATOM 829 CB ALA A 104 15.172 64.247 3.904 1.00 0.00 ATOM 830 O ALA A 104 17.099 64.350 6.582 1.00 0.00 ATOM 831 C ALA A 104 16.708 63.545 5.709 1.00 0.00 ATOM 832 N LEU A 105 16.307 62.299 5.987 1.00 0.00 ATOM 833 CA LEU A 105 16.431 61.800 7.377 1.00 0.00 ATOM 834 CB LEU A 105 15.978 60.342 7.465 1.00 0.00 ATOM 835 CG LEU A 105 16.037 59.696 8.851 1.00 0.00 ATOM 836 CD1 LEU A 105 15.128 60.430 9.824 1.00 0.00 ATOM 837 CD2 LEU A 105 15.591 58.243 8.787 1.00 0.00 ATOM 838 O LEU A 105 18.086 62.307 9.017 1.00 0.00 ATOM 839 C LEU A 105 17.876 61.883 7.849 1.00 0.00 ATOM 840 N ASN A 106 18.836 61.554 7.057 1.00 0.00 ATOM 841 CA ASN A 106 20.238 61.721 7.427 1.00 0.00 ATOM 842 CB ASN A 106 21.150 61.227 6.302 1.00 0.00 ATOM 843 CG ASN A 106 21.171 59.717 6.189 1.00 0.00 ATOM 844 ND2 ASN A 106 21.586 59.216 5.030 1.00 0.00 ATOM 845 OD1 ASN A 106 20.821 59.009 7.133 1.00 0.00 ATOM 846 O ASN A 106 21.312 63.423 8.732 1.00 0.00 ATOM 847 C ASN A 106 20.569 63.175 7.763 1.00 0.00 ATOM 848 N ASN A 107 20.036 64.093 6.985 1.00 0.00 ATOM 849 CA ASN A 107 20.264 65.520 7.239 1.00 0.00 ATOM 850 CB ASN A 107 19.535 66.378 6.204 1.00 0.00 ATOM 851 CG ASN A 107 20.221 66.369 4.852 1.00 0.00 ATOM 852 ND2 ASN A 107 19.481 66.737 3.812 1.00 0.00 ATOM 853 OD1 ASN A 107 21.402 66.036 4.747 1.00 0.00 ATOM 854 O ASN A 107 20.397 66.649 9.364 1.00 0.00 ATOM 855 C ASN A 107 19.737 65.916 8.607 1.00 0.00 ATOM 856 N LEU A 108 18.510 65.462 8.915 1.00 0.00 ATOM 857 CA LEU A 108 17.916 65.760 10.225 1.00 0.00 ATOM 858 CB LEU A 108 16.489 65.213 10.303 1.00 0.00 ATOM 859 CG LEU A 108 15.737 65.465 11.612 1.00 0.00 ATOM 860 CD1 LEU A 108 15.581 66.958 11.863 1.00 0.00 ATOM 861 CD2 LEU A 108 14.349 64.844 11.562 1.00 0.00 ATOM 862 O LEU A 108 19.026 65.808 12.331 1.00 0.00 ATOM 863 C LEU A 108 18.751 65.115 11.333 1.00 0.00 ATOM 864 N GLU A 109 19.165 63.885 11.157 1.00 0.00 ATOM 865 CA GLU A 109 20.017 63.243 12.186 1.00 0.00 ATOM 866 CB GLU A 109 20.359 61.808 11.779 1.00 0.00 ATOM 867 CG GLU A 109 21.182 61.051 12.808 1.00 0.00 ATOM 868 CD GLU A 109 21.453 59.617 12.397 1.00 0.00 ATOM 869 OE1 GLU A 109 20.980 59.211 11.314 1.00 0.00 ATOM 870 OE2 GLU A 109 22.136 58.901 13.157 1.00 0.00 ATOM 871 O GLU A 109 21.624 64.318 13.609 1.00 0.00 ATOM 872 C GLU A 109 21.210 64.149 12.465 1.00 0.00 ATOM 873 N ALA A 110 21.727 64.756 11.390 1.00 0.00 ATOM 874 CA ALA A 110 22.880 65.643 11.500 1.00 0.00 ATOM 875 CB ALA A 110 23.385 66.100 10.140 1.00 0.00 ATOM 876 O ALA A 110 23.385 67.285 13.155 1.00 0.00 ATOM 877 C ALA A 110 22.536 66.874 12.350 1.00 0.00 ATOM 878 N ILE A 111 21.374 67.462 12.162 1.00 0.00 ATOM 879 CA ILE A 111 21.009 68.608 13.010 1.00 0.00 ATOM 880 CB ILE A 111 19.672 69.202 12.548 1.00 0.00 ATOM 881 CG1 ILE A 111 19.866 69.950 11.217 1.00 0.00 ATOM 882 CG2 ILE A 111 19.099 70.123 13.621 1.00 0.00 ATOM 883 CD1 ILE A 111 18.551 70.220 10.461 1.00 0.00 ATOM 884 O ILE A 111 21.480 68.872 15.347 1.00 0.00 ATOM 885 C ILE A 111 20.905 68.216 14.481 1.00 0.00 ATOM 886 N ILE A 112 20.205 67.113 14.770 1.00 0.00 ATOM 887 CA ILE A 112 20.080 66.632 16.142 1.00 0.00 ATOM 888 CB ILE A 112 19.261 65.329 16.209 1.00 0.00 ATOM 889 CG1 ILE A 112 17.807 65.591 15.810 1.00 0.00 ATOM 890 CG2 ILE A 112 19.279 64.760 17.621 1.00 0.00 ATOM 891 CD1 ILE A 112 16.998 64.332 15.587 1.00 0.00 ATOM 892 O ILE A 112 21.716 66.706 17.900 1.00 0.00 ATOM 893 C ILE A 112 21.455 66.365 16.747 1.00 0.00 ATOM 894 N GLN A 113 22.347 65.721 15.985 1.00 0.00 ATOM 895 CA GLN A 113 23.686 65.423 16.481 1.00 0.00 ATOM 896 CB GLN A 113 24.492 64.637 15.445 1.00 0.00 ATOM 897 CG GLN A 113 24.038 63.197 15.270 1.00 0.00 ATOM 898 CD GLN A 113 24.782 62.484 14.158 1.00 0.00 ATOM 899 OE1 GLN A 113 25.585 63.089 13.446 1.00 0.00 ATOM 900 NE2 GLN A 113 24.519 61.192 14.004 1.00 0.00 ATOM 901 O GLN A 113 25.151 66.817 17.776 1.00 0.00 ATOM 902 C GLN A 113 24.453 66.714 16.769 1.00 0.00 ATOM 903 N SER A 114 24.342 67.675 15.876 1.00 0.00 ATOM 904 CA SER A 114 25.035 68.947 16.060 1.00 0.00 ATOM 905 CB SER A 114 24.768 69.877 14.875 1.00 0.00 ATOM 906 OG SER A 114 25.316 69.351 13.679 1.00 0.00 ATOM 907 O SER A 114 25.399 70.052 18.192 1.00 0.00 ATOM 908 C SER A 114 24.594 69.591 17.365 1.00 0.00 ATOM 909 N VAL A 115 23.279 69.718 17.592 1.00 0.00 ATOM 910 CA VAL A 115 22.749 70.316 18.788 1.00 0.00 ATOM 911 CB VAL A 115 21.211 70.401 18.780 1.00 0.00 ATOM 912 CG1 VAL A 115 20.693 70.825 20.144 1.00 0.00 ATOM 913 CG2 VAL A 115 20.742 71.417 17.750 1.00 0.00 ATOM 914 O VAL A 115 23.611 70.019 21.009 1.00 0.00 ATOM 915 C VAL A 115 23.157 69.482 19.998 1.00 0.00 ATOM 916 N ALA A 116 22.974 68.168 19.896 1.00 0.00 ATOM 917 CA ALA A 116 23.310 67.287 21.008 1.00 0.00 ATOM 918 CB ALA A 116 22.927 65.852 20.681 1.00 0.00 ATOM 919 O ALA A 116 25.182 67.313 22.531 1.00 0.00 ATOM 920 C ALA A 116 24.801 67.333 21.350 1.00 0.00 ATOM 921 N ARG A 117 25.634 67.386 20.326 1.00 0.00 ATOM 922 CA ARG A 117 27.082 67.454 20.522 1.00 0.00 ATOM 923 CB ARG A 117 27.825 67.317 19.191 1.00 0.00 ATOM 924 CG ARG A 117 27.741 65.930 18.574 1.00 0.00 ATOM 925 CD ARG A 117 28.430 65.886 17.220 1.00 0.00 ATOM 926 NE ARG A 117 28.354 64.560 16.611 1.00 0.00 ATOM 927 CZ ARG A 117 28.809 64.269 15.396 1.00 0.00 ATOM 928 NH1 ARG A 117 28.695 63.035 14.924 1.00 0.00 ATOM 929 NH2 ARG A 117 29.373 65.213 14.655 1.00 0.00 ATOM 930 O ARG A 117 28.144 68.789 22.221 1.00 0.00 ATOM 931 C ARG A 117 27.442 68.785 21.214 1.00 0.00 ATOM 932 N ASP A 118 26.906 69.870 20.690 1.00 0.00 ATOM 933 CA ASP A 118 27.177 71.203 21.239 1.00 0.00 ATOM 934 CB ASP A 118 26.638 72.269 20.283 1.00 0.00 ATOM 935 CG ASP A 118 27.432 72.350 18.994 1.00 0.00 ATOM 936 OD1 ASP A 118 28.542 71.781 18.943 1.00 0.00 ATOM 937 OD2 ASP A 118 26.942 72.983 18.034 1.00 0.00 ATOM 938 O ASP A 118 27.201 72.264 23.390 1.00 0.00 ATOM 939 C ASP A 118 26.596 71.524 22.615 1.00 0.00 ATOM 940 N TYR A 119 25.443 70.943 22.929 1.00 0.00 ATOM 941 CA TYR A 119 24.795 71.179 24.215 1.00 0.00 ATOM 942 CB TYR A 119 23.684 72.219 24.062 1.00 0.00 ATOM 943 CG TYR A 119 24.171 73.574 23.603 1.00 0.00 ATOM 944 CD1 TYR A 119 24.076 73.949 22.268 1.00 0.00 ATOM 945 CD2 TYR A 119 24.724 74.474 24.505 1.00 0.00 ATOM 946 CE1 TYR A 119 24.519 75.186 21.840 1.00 0.00 ATOM 947 CE2 TYR A 119 25.172 75.715 24.094 1.00 0.00 ATOM 948 CZ TYR A 119 25.065 76.067 22.749 1.00 0.00 ATOM 949 OH TYR A 119 25.507 77.298 22.325 1.00 0.00 ATOM 950 O TYR A 119 22.993 69.655 24.701 1.00 0.00 ATOM 951 C TYR A 119 24.183 69.914 24.793 1.00 0.00 ATOM 952 N PRO A 120 25.034 69.039 25.405 1.00 0.00 ATOM 953 CA PRO A 120 24.604 67.730 25.906 1.00 0.00 ATOM 954 CB PRO A 120 25.850 67.252 26.639 1.00 0.00 ATOM 955 CG PRO A 120 26.899 67.828 25.894 1.00 0.00 ATOM 956 CD PRO A 120 26.490 69.271 25.611 1.00 0.00 ATOM 957 O PRO A 120 22.616 66.792 26.871 1.00 0.00 ATOM 958 C PRO A 120 23.382 67.757 26.824 1.00 0.00 ATOM 959 N LEU A 121 23.194 68.857 27.544 1.00 0.00 ATOM 960 CA LEU A 121 22.074 68.951 28.467 1.00 0.00 ATOM 961 CB LEU A 121 22.454 69.794 29.687 1.00 0.00 ATOM 962 CG LEU A 121 23.592 69.255 30.556 1.00 0.00 ATOM 963 CD1 LEU A 121 23.930 70.237 31.667 1.00 0.00 ATOM 964 CD2 LEU A 121 23.202 67.931 31.193 1.00 0.00 ATOM 965 O LEU A 121 19.819 69.701 28.702 1.00 0.00 ATOM 966 C LEU A 121 20.788 69.576 27.955 1.00 0.00 ATOM 967 N THR A 122 20.764 69.967 26.687 1.00 0.00 ATOM 968 CA THR A 122 19.575 70.579 26.106 1.00 0.00 ATOM 969 CB THR A 122 19.933 71.507 24.931 1.00 0.00 ATOM 970 CG2 THR A 122 18.676 72.117 24.330 1.00 0.00 ATOM 971 OG1 THR A 122 20.784 72.563 25.395 1.00 0.00 ATOM 972 O THR A 122 19.168 68.548 24.891 1.00 0.00 ATOM 973 C THR A 122 18.687 69.496 25.509 1.00 0.00 ATOM 974 N GLU A 123 17.297 69.730 25.665 1.00 0.00 ATOM 975 CA GLU A 123 16.334 68.757 25.161 1.00 0.00 ATOM 976 CB GLU A 123 15.123 68.784 26.096 1.00 0.00 ATOM 977 CG GLU A 123 15.443 68.413 27.535 1.00 0.00 ATOM 978 CD GLU A 123 14.253 68.584 28.459 1.00 0.00 ATOM 979 OE1 GLU A 123 13.185 69.015 27.978 1.00 0.00 ATOM 980 OE2 GLU A 123 14.389 68.284 29.664 1.00 0.00 ATOM 981 O GLU A 123 16.007 70.476 23.526 1.00 0.00 ATOM 982 C GLU A 123 16.030 69.266 23.732 1.00 0.00 ATOM 983 N ILE A 124 15.903 68.383 22.742 1.00 0.00 ATOM 984 CA ILE A 124 15.597 68.823 21.372 1.00 0.00 ATOM 985 CB ILE A 124 16.564 68.215 20.340 1.00 0.00 ATOM 986 CG1 ILE A 124 17.985 68.739 20.567 1.00 0.00 ATOM 987 CG2 ILE A 124 16.136 68.582 18.928 1.00 0.00 ATOM 988 CD1 ILE A 124 19.035 68.034 19.738 1.00 0.00 ATOM 989 O ILE A 124 13.857 67.225 21.150 1.00 0.00 ATOM 990 C ILE A 124 14.188 68.387 20.994 1.00 0.00 ATOM 991 N LYS A 125 13.356 69.334 20.543 1.00 0.00 ATOM 992 CA LYS A 125 12.015 68.986 20.132 1.00 0.00 ATOM 993 CB LYS A 125 10.987 69.847 20.860 1.00 0.00 ATOM 994 CG LYS A 125 9.552 69.643 20.406 1.00 0.00 ATOM 995 CD LYS A 125 8.565 70.491 21.192 1.00 0.00 ATOM 996 CE LYS A 125 7.127 70.263 20.759 1.00 0.00 ATOM 997 NZ LYS A 125 6.146 70.773 21.759 1.00 0.00 ATOM 998 O LYS A 125 12.077 70.239 18.121 1.00 0.00 ATOM 999 C LYS A 125 11.943 69.069 18.587 1.00 0.00 ATOM 1000 N LEU A 126 11.686 68.024 17.895 1.00 0.00 ATOM 1001 CA LEU A 126 11.491 68.079 16.449 1.00 0.00 ATOM 1002 CB LEU A 126 11.905 66.746 15.885 1.00 0.00 ATOM 1003 CG LEU A 126 13.336 66.822 15.322 1.00 0.00 ATOM 1004 CD1 LEU A 126 13.437 67.991 14.344 1.00 0.00 ATOM 1005 CD2 LEU A 126 14.352 66.983 16.443 1.00 0.00 ATOM 1006 O LEU A 126 9.339 67.032 16.504 1.00 0.00 ATOM 1007 C LEU A 126 9.993 68.002 16.105 1.00 0.00 ATOM 1008 N LEU A 127 9.517 68.986 15.358 1.00 0.00 ATOM 1009 CA LEU A 127 8.120 68.945 14.910 1.00 0.00 ATOM 1010 CB LEU A 127 7.598 70.361 14.655 1.00 0.00 ATOM 1011 CG LEU A 127 7.579 71.304 15.860 1.00 0.00 ATOM 1012 CD1 LEU A 127 7.114 72.692 15.448 1.00 0.00 ATOM 1013 CD2 LEU A 127 6.635 70.785 16.933 1.00 0.00 ATOM 1014 O LEU A 127 8.796 68.233 12.704 1.00 0.00 ATOM 1015 C LEU A 127 7.939 68.174 13.645 1.00 0.00 ATOM 1016 N SER A 128 6.853 67.402 13.496 1.00 0.00 ATOM 1017 CA SER A 128 6.554 66.717 12.244 1.00 0.00 ATOM 1018 CB SER A 128 5.304 65.848 12.393 1.00 0.00 ATOM 1019 OG SER A 128 4.149 66.647 12.591 1.00 0.00 ATOM 1020 O SER A 128 5.833 68.880 11.358 1.00 0.00 ATOM 1021 C SER A 128 6.313 67.787 11.134 1.00 0.00 ATOM 1022 N ILE A 129 6.701 67.327 9.963 1.00 0.00 ATOM 1023 CA ILE A 129 6.390 68.119 8.767 1.00 0.00 ATOM 1024 CB ILE A 129 7.043 67.521 7.510 1.00 0.00 ATOM 1025 CG1 ILE A 129 8.568 67.524 7.669 1.00 0.00 ATOM 1026 CG2 ILE A 129 6.642 68.335 6.287 1.00 0.00 ATOM 1027 CD1 ILE A 129 9.156 68.894 7.973 1.00 0.00 ATOM 1028 O ILE A 129 4.277 67.011 8.571 1.00 0.00 ATOM 1029 C ILE A 129 4.897 68.109 8.512 1.00 0.00 ATOM 1030 N LEU A 130 4.291 69.232 8.237 1.00 0.00 ATOM 1031 CA LEU A 130 2.834 69.287 8.040 1.00 0.00 ATOM 1032 CB LEU A 130 2.315 70.708 8.264 1.00 0.00 ATOM 1033 CG LEU A 130 2.506 71.286 9.668 1.00 0.00 ATOM 1034 CD1 LEU A 130 2.038 72.732 9.722 1.00 0.00 ATOM 1035 CD2 LEU A 130 1.708 70.490 10.689 1.00 0.00 ATOM 1036 O LEU A 130 3.272 69.029 5.652 1.00 0.00 ATOM 1037 C LEU A 130 2.497 68.872 6.613 1.00 0.00 ATOM 1038 N PRO A 131 1.285 68.347 6.418 1.00 0.00 ATOM 1039 CA PRO A 131 0.734 68.197 5.085 1.00 0.00 ATOM 1040 CB PRO A 131 -0.653 67.595 5.319 1.00 0.00 ATOM 1041 CG PRO A 131 -0.566 66.965 6.668 1.00 0.00 ATOM 1042 CD PRO A 131 0.354 67.839 7.477 1.00 0.00 ATOM 1043 O PRO A 131 0.277 70.594 4.919 1.00 0.00 ATOM 1044 C PRO A 131 0.592 69.528 4.302 1.00 0.00 ATOM 1045 N VAL A 132 0.750 69.435 3.024 1.00 0.00 ATOM 1046 CA VAL A 132 0.584 70.641 2.197 1.00 0.00 ATOM 1047 CB VAL A 132 2.017 71.106 1.880 1.00 0.00 ATOM 1048 CG1 VAL A 132 2.743 71.502 3.157 1.00 0.00 ATOM 1049 CG2 VAL A 132 2.803 69.989 1.209 1.00 0.00 ATOM 1050 O VAL A 132 -0.287 69.082 0.600 1.00 0.00 ATOM 1051 C VAL A 132 -0.141 70.273 0.899 1.00 0.00 ATOM 1052 N ASN A 133 -0.455 71.295 0.140 1.00 0.00 ATOM 1053 CA ASN A 133 -1.251 71.108 -1.082 1.00 0.00 ATOM 1054 CB ASN A 133 -0.412 70.290 -2.125 1.00 0.00 ATOM 1055 CG ASN A 133 -0.607 70.760 -3.563 1.00 0.00 ATOM 1056 ND2 ASN A 133 0.481 71.192 -4.224 1.00 0.00 ATOM 1057 OD1 ASN A 133 -1.734 70.756 -4.058 1.00 0.00 ATOM 1058 O ASN A 133 -3.086 70.197 0.157 1.00 0.00 ATOM 1059 C ASN A 133 -2.735 70.889 -0.802 1.00 0.00 ATOM 1060 N GLU A 134 -3.548 71.506 -1.618 1.00 0.00 ATOM 1061 CA GLU A 134 -5.000 71.414 -1.467 1.00 0.00 ATOM 1062 CB GLU A 134 -5.735 72.274 -2.498 1.00 0.00 ATOM 1063 CG GLU A 134 -5.533 73.769 -2.315 1.00 0.00 ATOM 1064 CD GLU A 134 -6.199 74.584 -3.407 1.00 0.00 ATOM 1065 OE1 GLU A 134 -6.764 73.977 -4.340 1.00 0.00 ATOM 1066 OE2 GLU A 134 -6.154 75.830 -3.329 1.00 0.00 ATOM 1067 O GLU A 134 -6.536 69.760 -0.801 1.00 0.00 ATOM 1068 C GLU A 134 -5.558 69.996 -1.577 1.00 0.00 ATOM 1069 N ARG A 135 -5.006 69.132 -2.362 1.00 0.00 ATOM 1070 CA ARG A 135 -5.507 67.786 -2.552 1.00 0.00 ATOM 1071 CB ARG A 135 -5.853 67.517 -4.008 1.00 0.00 ATOM 1072 CG ARG A 135 -7.133 68.176 -4.455 1.00 0.00 ATOM 1073 CD ARG A 135 -7.601 67.630 -5.802 1.00 0.00 ATOM 1074 NE ARG A 135 -8.812 68.306 -6.253 1.00 0.00 ATOM 1075 CZ ARG A 135 -8.848 69.571 -6.654 1.00 0.00 ATOM 1076 NH1 ARG A 135 -7.733 70.284 -6.666 1.00 0.00 ATOM 1077 NH2 ARG A 135 -9.993 70.119 -7.031 1.00 0.00 ATOM 1078 O ARG A 135 -3.192 67.149 -2.279 1.00 0.00 ATOM 1079 C ARG A 135 -4.416 66.784 -2.394 1.00 0.00 ATOM 1080 N GLU A 136 -4.688 65.478 -2.394 1.00 0.00 ATOM 1081 CA GLU A 136 -3.642 64.485 -2.218 1.00 0.00 ATOM 1082 CB GLU A 136 -4.218 63.199 -1.621 1.00 0.00 ATOM 1083 CG GLU A 136 -4.727 63.350 -0.196 1.00 0.00 ATOM 1084 CD GLU A 136 -5.334 62.070 0.343 1.00 0.00 ATOM 1085 OE1 GLU A 136 -5.379 61.071 -0.406 1.00 0.00 ATOM 1086 OE2 GLU A 136 -5.765 62.066 1.516 1.00 0.00 ATOM 1087 O GLU A 136 -1.563 64.129 -3.361 1.00 0.00 ATOM 1088 C GLU A 136 -2.761 64.385 -3.460 1.00 0.00 ATOM 1089 N GLU A 137 -3.435 64.866 -4.632 1.00 0.00 ATOM 1090 CA GLU A 137 -2.692 64.758 -5.884 1.00 0.00 ATOM 1091 CB GLU A 137 -3.680 64.989 -7.029 1.00 0.00 ATOM 1092 CG GLU A 137 -3.111 64.697 -8.408 1.00 0.00 ATOM 1093 CD GLU A 137 -4.127 64.907 -9.513 1.00 0.00 ATOM 1094 OE1 GLU A 137 -5.262 65.326 -9.206 1.00 0.00 ATOM 1095 OE2 GLU A 137 -3.788 64.652 -10.688 1.00 0.00 ATOM 1096 O GLU A 137 -1.757 66.921 -6.203 1.00 0.00 ATOM 1097 C GLU A 137 -1.522 65.726 -6.014 1.00 0.00 ATOM 1098 N TYR A 138 -0.298 65.250 -5.913 1.00 0.00 ATOM 1099 CA TYR A 138 0.877 66.088 -6.029 1.00 0.00 ATOM 1100 CB TYR A 138 2.000 65.564 -5.131 1.00 0.00 ATOM 1101 CG TYR A 138 1.738 65.745 -3.655 1.00 0.00 ATOM 1102 CD1 TYR A 138 1.161 64.728 -2.905 1.00 0.00 ATOM 1103 CD2 TYR A 138 2.068 66.933 -3.013 1.00 0.00 ATOM 1104 CE1 TYR A 138 0.917 64.885 -1.553 1.00 0.00 ATOM 1105 CE2 TYR A 138 1.833 67.106 -1.663 1.00 0.00 ATOM 1106 CZ TYR A 138 1.253 66.071 -0.934 1.00 0.00 ATOM 1107 OH TYR A 138 1.011 66.229 0.411 1.00 0.00 ATOM 1108 O TYR A 138 1.791 65.030 -7.958 1.00 0.00 ATOM 1109 C TYR A 138 1.356 66.084 -7.493 1.00 0.00 ATOM 1110 N GLN A 139 1.309 67.218 -8.180 1.00 0.00 ATOM 1111 CA GLN A 139 1.806 67.240 -9.565 1.00 0.00 ATOM 1112 CB GLN A 139 1.300 68.484 -10.298 1.00 0.00 ATOM 1113 CG GLN A 139 -0.210 68.534 -10.463 1.00 0.00 ATOM 1114 CD GLN A 139 -0.676 69.780 -11.192 1.00 0.00 ATOM 1115 OE1 GLN A 139 0.135 70.617 -11.590 1.00 0.00 ATOM 1116 NE2 GLN A 139 -1.985 69.906 -11.368 1.00 0.00 ATOM 1117 O GLN A 139 3.906 67.290 -8.431 1.00 0.00 ATOM 1118 C GLN A 139 3.331 67.242 -9.517 1.00 0.00 ATOM 1119 N GLN A 140 4.049 67.225 -10.619 1.00 0.00 ATOM 1120 CA GLN A 140 5.500 67.188 -10.676 1.00 0.00 ATOM 1121 CB GLN A 140 5.979 67.229 -12.129 1.00 0.00 ATOM 1122 CG GLN A 140 5.707 65.952 -12.907 1.00 0.00 ATOM 1123 CD GLN A 140 6.092 66.068 -14.368 1.00 0.00 ATOM 1124 OE1 GLN A 140 6.484 67.138 -14.835 1.00 0.00 ATOM 1125 NE2 GLN A 140 5.982 64.963 -15.097 1.00 0.00 ATOM 1126 O GLN A 140 7.133 68.105 -9.165 1.00 0.00 ATOM 1127 C GLN A 140 6.182 68.327 -9.918 1.00 0.00 ATOM 1128 N ALA A 141 5.692 69.549 -10.091 1.00 0.00 ATOM 1129 CA ALA A 141 6.247 70.724 -9.437 1.00 0.00 ATOM 1130 CB ALA A 141 5.598 72.012 -9.918 1.00 0.00 ATOM 1131 O ALA A 141 6.881 71.057 -7.121 1.00 0.00 ATOM 1132 C ALA A 141 6.049 70.620 -7.929 1.00 0.00 ATOM 1133 N VAL A 142 4.938 70.044 -7.493 1.00 0.00 ATOM 1134 CA VAL A 142 4.670 69.919 -6.052 1.00 0.00 ATOM 1135 CB VAL A 142 3.214 69.493 -5.788 1.00 0.00 ATOM 1136 CG1 VAL A 142 3.005 69.201 -4.310 1.00 0.00 ATOM 1137 CG2 VAL A 142 2.252 70.596 -6.201 1.00 0.00 ATOM 1138 O VAL A 142 6.234 69.121 -4.415 1.00 0.00 ATOM 1139 C VAL A 142 5.658 68.902 -5.474 1.00 0.00 ATOM 1140 N TYR A 143 5.850 67.754 -6.156 1.00 0.00 ATOM 1141 CA TYR A 143 6.786 66.746 -5.687 1.00 0.00 ATOM 1142 CB TYR A 143 6.794 65.584 -6.683 1.00 0.00 ATOM 1143 CG TYR A 143 7.735 64.462 -6.306 1.00 0.00 ATOM 1144 CD1 TYR A 143 7.385 63.538 -5.329 1.00 0.00 ATOM 1145 CD2 TYR A 143 8.969 64.330 -6.928 1.00 0.00 ATOM 1146 CE1 TYR A 143 8.237 62.510 -4.979 1.00 0.00 ATOM 1147 CE2 TYR A 143 9.835 63.307 -6.591 1.00 0.00 ATOM 1148 CZ TYR A 143 9.458 62.393 -5.607 1.00 0.00 ATOM 1149 OH TYR A 143 10.310 61.370 -5.260 1.00 0.00 ATOM 1150 O TYR A 143 8.902 67.066 -4.589 1.00 0.00 ATOM 1151 C TYR A 143 8.201 67.293 -5.568 1.00 0.00 ATOM 1152 N ILE A 144 8.664 68.060 -6.551 1.00 0.00 ATOM 1153 CA ILE A 144 9.981 68.663 -6.507 1.00 0.00 ATOM 1154 CB ILE A 144 10.206 69.450 -7.803 1.00 0.00 ATOM 1155 CG1 ILE A 144 10.266 68.497 -8.985 1.00 0.00 ATOM 1156 CG2 ILE A 144 11.462 70.300 -7.707 1.00 0.00 ATOM 1157 CD1 ILE A 144 11.205 67.366 -8.844 1.00 0.00 ATOM 1158 O ILE A 144 11.147 69.557 -4.653 1.00 0.00 ATOM 1159 C ILE A 144 10.099 69.622 -5.323 1.00 0.00 ATOM 1160 N ARG A 145 9.101 70.448 -5.073 1.00 0.00 ATOM 1161 CA ARG A 145 9.186 71.376 -3.950 1.00 0.00 ATOM 1162 CB ARG A 145 8.879 72.770 -4.346 1.00 0.00 ATOM 1163 CG ARG A 145 10.055 73.595 -4.722 1.00 0.00 ATOM 1164 CD ARG A 145 9.702 75.058 -4.710 1.00 0.00 ATOM 1165 NE ARG A 145 8.765 75.398 -5.772 1.00 0.00 ATOM 1166 CZ ARG A 145 7.499 75.745 -5.580 1.00 0.00 ATOM 1167 NH1 ARG A 145 6.986 75.815 -4.357 1.00 0.00 ATOM 1168 NH2 ARG A 145 6.741 76.011 -6.619 1.00 0.00 ATOM 1169 O ARG A 145 8.499 70.806 -1.718 1.00 0.00 ATOM 1170 C ARG A 145 8.158 71.042 -2.872 1.00 0.00 ATOM 1171 N SER A 146 7.018 71.042 -3.669 1.00 0.00 ATOM 1172 CA SER A 146 5.927 70.853 -2.738 1.00 0.00 ATOM 1173 CB SER A 146 4.692 71.663 -3.204 1.00 0.00 ATOM 1174 OG SER A 146 3.573 71.420 -2.364 1.00 0.00 ATOM 1175 O SER A 146 5.683 68.563 -3.334 1.00 0.00 ATOM 1176 C SER A 146 5.971 69.368 -2.437 1.00 0.00 ATOM 1177 N ASN A 147 6.256 68.978 -1.201 1.00 0.00 ATOM 1178 CA ASN A 147 6.264 67.580 -0.808 1.00 0.00 ATOM 1179 CB ASN A 147 6.797 67.426 0.618 1.00 0.00 ATOM 1180 CG ASN A 147 8.268 67.774 0.731 1.00 0.00 ATOM 1181 ND2 ASN A 147 8.693 68.167 1.926 1.00 0.00 ATOM 1182 OD1 ASN A 147 9.013 67.687 -0.246 1.00 0.00 ATOM 1183 O ASN A 147 4.528 65.955 -0.744 1.00 0.00 ATOM 1184 C ASN A 147 4.804 67.145 -0.908 1.00 0.00 ATOM 1185 N GLU A 148 3.033 62.824 0.705 1.00 0.00 ATOM 1186 CA GLU A 148 3.497 61.473 1.010 1.00 0.00 ATOM 1187 CB GLU A 148 3.792 60.878 -0.568 1.00 0.00 ATOM 1188 CG GLU A 148 2.970 61.416 -1.727 1.00 0.00 ATOM 1189 CD GLU A 148 1.620 60.739 -1.837 1.00 0.00 ATOM 1190 OE1 GLU A 148 1.590 59.488 -1.890 1.00 0.00 ATOM 1191 OE2 GLU A 148 0.590 61.452 -1.871 1.00 0.00 ATOM 1192 O GLU A 148 5.288 60.763 2.447 1.00 0.00 ATOM 1193 C GLU A 148 4.919 61.457 1.494 1.00 0.00 ATOM 1194 N LYS A 149 5.771 62.280 0.817 1.00 0.00 ATOM 1195 CA LYS A 149 7.157 62.395 1.267 1.00 0.00 ATOM 1196 CB LYS A 149 7.922 63.394 0.395 1.00 0.00 ATOM 1197 CG LYS A 149 9.388 63.547 0.766 1.00 0.00 ATOM 1198 CD LYS A 149 10.102 64.495 -0.182 1.00 0.00 ATOM 1199 CE LYS A 149 11.555 64.687 0.219 1.00 0.00 ATOM 1200 NZ LYS A 149 12.261 65.633 -0.689 1.00 0.00 ATOM 1201 O LYS A 149 8.010 62.271 3.504 1.00 0.00 ATOM 1202 C LYS A 149 7.283 62.864 2.705 1.00 0.00 ATOM 1203 N ILE A 150 6.568 63.939 3.039 1.00 0.00 ATOM 1204 CA ILE A 150 6.593 64.498 4.378 1.00 0.00 ATOM 1205 CB ILE A 150 5.765 65.790 4.505 1.00 0.00 ATOM 1206 CG1 ILE A 150 6.367 66.896 3.636 1.00 0.00 ATOM 1207 CG2 ILE A 150 5.744 66.269 5.949 1.00 0.00 ATOM 1208 CD1 ILE A 150 5.478 68.111 3.493 1.00 0.00 ATOM 1209 O ILE A 150 6.684 63.404 6.483 1.00 0.00 ATOM 1210 C ILE A 150 6.086 63.495 5.418 1.00 0.00 ATOM 1211 N GLN A 151 4.986 62.817 5.107 1.00 0.00 ATOM 1212 CA GLN A 151 4.527 61.744 6.011 1.00 0.00 ATOM 1213 CB GLN A 151 3.295 61.044 5.432 1.00 0.00 ATOM 1214 CG GLN A 151 2.036 61.895 5.445 1.00 0.00 ATOM 1215 CD GLN A 151 0.866 61.215 4.762 1.00 0.00 ATOM 1216 OE1 GLN A 151 1.010 60.132 4.194 1.00 0.00 ATOM 1217 NE2 GLN A 151 -0.300 61.848 4.817 1.00 0.00 ATOM 1218 O GLN A 151 5.785 60.274 7.453 1.00 0.00 ATOM 1219 C GLN A 151 5.593 60.676 6.306 1.00 0.00 ATOM 1220 N ASN A 152 6.257 60.221 5.279 1.00 0.00 ATOM 1221 CA ASN A 152 7.312 59.225 5.470 1.00 0.00 ATOM 1222 CB ASN A 152 7.832 58.826 4.088 1.00 0.00 ATOM 1223 CG ASN A 152 6.869 57.926 3.339 1.00 0.00 ATOM 1224 ND2 ASN A 152 7.010 57.878 2.020 1.00 0.00 ATOM 1225 OD1 ASN A 152 6.011 57.281 3.943 1.00 0.00 ATOM 1226 O ASN A 152 8.996 59.106 7.161 1.00 0.00 ATOM 1227 C ASN A 152 8.427 59.801 6.327 1.00 0.00 ATOM 1228 N TRP A 153 8.765 61.096 6.083 1.00 0.00 ATOM 1229 CA TRP A 153 9.852 61.681 6.848 1.00 0.00 ATOM 1230 CB TRP A 153 9.517 63.335 6.724 1.00 0.00 ATOM 1231 CG TRP A 153 10.633 64.307 7.006 1.00 0.00 ATOM 1232 CD1 TRP A 153 11.520 64.828 6.101 1.00 0.00 ATOM 1233 CD2 TRP A 153 11.024 64.819 8.287 1.00 0.00 ATOM 1234 CE2 TRP A 153 12.124 65.677 8.079 1.00 0.00 ATOM 1235 CE3 TRP A 153 10.538 64.656 9.597 1.00 0.00 ATOM 1236 NE1 TRP A 153 12.404 65.659 6.742 1.00 0.00 ATOM 1237 CZ2 TRP A 153 12.759 66.353 9.123 1.00 0.00 ATOM 1238 CZ3 TRP A 153 11.159 65.339 10.627 1.00 0.00 ATOM 1239 CH2 TRP A 153 12.259 66.182 10.383 1.00 0.00 ATOM 1240 O TRP A 153 10.314 61.524 9.200 1.00 0.00 ATOM 1241 C TRP A 153 9.470 61.703 8.324 1.00 0.00 ATOM 1242 N ASN A 154 8.219 61.907 8.596 1.00 0.00 ATOM 1243 CA ASN A 154 7.783 61.915 9.983 1.00 0.00 ATOM 1244 CB ASN A 154 6.330 62.377 10.111 1.00 0.00 ATOM 1245 CG ASN A 154 6.174 63.872 9.912 1.00 0.00 ATOM 1246 ND2 ASN A 154 4.956 64.302 9.600 1.00 0.00 ATOM 1247 OD1 ASN A 154 7.137 64.627 10.036 1.00 0.00 ATOM 1248 O ASN A 154 8.333 60.407 11.782 1.00 0.00 ATOM 1249 C ASN A 154 7.921 60.547 10.627 1.00 0.00 ATOM 1250 N GLN A 155 7.546 59.475 9.907 1.00 0.00 ATOM 1251 CA GLN A 155 7.613 58.100 10.389 1.00 0.00 ATOM 1252 CB GLN A 155 7.064 57.079 9.391 1.00 0.00 ATOM 1253 CG GLN A 155 5.551 57.098 9.252 1.00 0.00 ATOM 1254 CD GLN A 155 5.054 56.169 8.162 1.00 0.00 ATOM 1255 OE1 GLN A 155 5.848 55.559 7.444 1.00 0.00 ATOM 1256 NE2 GLN A 155 3.737 56.058 8.033 1.00 0.00 ATOM 1257 O GLN A 155 9.369 57.169 11.753 1.00 0.00 ATOM 1258 C GLN A 155 9.063 57.733 10.695 1.00 0.00 ATOM 1259 N ALA A 156 9.958 58.077 9.773 1.00 0.00 ATOM 1260 CA ALA A 156 11.378 57.793 9.943 1.00 0.00 ATOM 1261 CB ALA A 156 12.180 58.038 8.675 1.00 0.00 ATOM 1262 O ALA A 156 12.776 58.074 11.853 1.00 0.00 ATOM 1263 C ALA A 156 11.975 58.615 11.031 1.00 0.00 ATOM 1264 N TYR A 157 11.658 59.890 11.186 1.00 0.00 ATOM 1265 CA TYR A 157 12.201 60.733 12.235 1.00 0.00 ATOM 1266 CB TYR A 157 11.895 62.201 12.066 1.00 0.00 ATOM 1267 CG TYR A 157 12.190 63.026 13.309 1.00 0.00 ATOM 1268 CD1 TYR A 157 13.491 63.354 13.654 1.00 0.00 ATOM 1269 CD2 TYR A 157 11.164 63.460 14.131 1.00 0.00 ATOM 1270 CE1 TYR A 157 13.769 64.094 14.786 1.00 0.00 ATOM 1271 CE2 TYR A 157 11.431 64.203 15.273 1.00 0.00 ATOM 1272 CZ TYR A 157 12.730 64.516 15.592 1.00 0.00 ATOM 1273 OH TYR A 157 13.008 65.253 16.722 1.00 0.00 ATOM 1274 O TYR A 157 12.474 60.246 14.571 1.00 0.00 ATOM 1275 C TYR A 157 11.705 60.285 13.611 1.00 0.00 ATOM 1276 N GLN A 158 10.421 59.944 13.695 1.00 0.00 ATOM 1277 CA GLN A 158 9.853 59.480 14.958 1.00 0.00 ATOM 1278 CB GLN A 158 8.353 59.208 14.833 1.00 0.00 ATOM 1279 CG GLN A 158 7.696 58.749 16.125 1.00 0.00 ATOM 1280 CD GLN A 158 6.203 58.535 15.976 1.00 0.00 ATOM 1281 OE1 GLN A 158 5.654 58.663 14.882 1.00 0.00 ATOM 1282 NE2 GLN A 158 5.540 58.210 17.080 1.00 0.00 ATOM 1283 O GLN A 158 10.946 58.050 16.517 1.00 0.00 ATOM 1284 C GLN A 158 10.561 58.187 15.341 1.00 0.00 ATOM 1285 N GLU A 159 10.770 57.271 14.436 1.00 0.00 ATOM 1286 CA GLU A 159 11.470 55.991 14.761 1.00 0.00 ATOM 1287 CB GLU A 159 11.487 55.065 13.544 1.00 0.00 ATOM 1288 CG GLU A 159 10.130 54.480 13.190 1.00 0.00 ATOM 1289 CD GLU A 159 10.161 53.668 11.909 1.00 0.00 ATOM 1290 OE1 GLU A 159 11.226 53.625 11.259 1.00 0.00 ATOM 1291 OE2 GLU A 159 9.120 53.077 11.556 1.00 0.00 ATOM 1292 O GLU A 159 13.377 55.673 16.158 1.00 0.00 ATOM 1293 C GLU A 159 12.878 56.295 15.178 1.00 0.00 ATOM 1294 N LEU A 160 13.583 57.228 14.583 1.00 0.00 ATOM 1295 CA LEU A 160 14.953 57.586 14.931 1.00 0.00 ATOM 1296 CB LEU A 160 15.511 58.600 13.930 1.00 0.00 ATOM 1297 CG LEU A 160 16.960 59.041 14.147 1.00 0.00 ATOM 1298 CD1 LEU A 160 17.902 57.850 14.060 1.00 0.00 ATOM 1299 CD2 LEU A 160 17.377 60.056 13.094 1.00 0.00 ATOM 1300 O LEU A 160 15.880 57.762 17.148 1.00 0.00 ATOM 1301 C LEU A 160 15.020 58.151 16.351 1.00 0.00 ATOM 1302 N ALA A 161 14.130 59.057 16.680 1.00 0.00 ATOM 1303 CA ALA A 161 14.112 59.666 18.007 1.00 0.00 ATOM 1304 CB ALA A 161 13.274 60.935 17.975 1.00 0.00 ATOM 1305 O ALA A 161 13.898 59.080 20.322 1.00 0.00 ATOM 1306 C ALA A 161 13.590 58.810 19.159 1.00 0.00 ATOM 1307 N SER A 162 12.750 57.836 18.835 1.00 0.00 ATOM 1308 CA SER A 162 12.199 56.964 19.872 1.00 0.00 ATOM 1309 CB SER A 162 11.444 55.792 19.242 1.00 0.00 ATOM 1310 OG SER A 162 12.319 54.963 18.499 1.00 0.00 ATOM 1311 O SER A 162 13.262 56.164 21.890 1.00 0.00 ATOM 1312 C SER A 162 13.371 56.451 20.696 1.00 0.00 ATOM 1313 N ALA A 163 14.503 56.359 20.008 1.00 0.00 ATOM 1314 CA ALA A 163 15.767 55.928 20.569 1.00 0.00 ATOM 1315 CB ALA A 163 16.793 55.717 19.466 1.00 0.00 ATOM 1316 O ALA A 163 17.464 56.495 22.168 1.00 0.00 ATOM 1317 C ALA A 163 16.459 56.860 21.565 1.00 0.00 ATOM 1318 N TYR A 164 15.934 58.146 21.742 1.00 0.00 ATOM 1319 CA TYR A 164 16.583 59.181 22.531 1.00 0.00 ATOM 1320 CB TYR A 164 16.900 60.399 21.661 1.00 0.00 ATOM 1321 CG TYR A 164 17.906 60.125 20.566 1.00 0.00 ATOM 1322 CD1 TYR A 164 17.491 59.727 19.302 1.00 0.00 ATOM 1323 CD2 TYR A 164 19.268 60.262 20.801 1.00 0.00 ATOM 1324 CE1 TYR A 164 18.402 59.474 18.294 1.00 0.00 ATOM 1325 CE2 TYR A 164 20.195 60.014 19.806 1.00 0.00 ATOM 1326 CZ TYR A 164 19.749 59.617 18.546 1.00 0.00 ATOM 1327 OH TYR A 164 20.660 59.367 17.545 1.00 0.00 ATOM 1328 O TYR A 164 14.495 59.827 23.486 1.00 0.00 ATOM 1329 C TYR A 164 15.680 59.641 23.680 1.00 0.00 ATOM 1330 N MET A 165 16.291 59.868 24.809 1.00 0.00 ATOM 1331 CA MET A 165 15.581 60.295 26.022 1.00 0.00 ATOM 1332 CB MET A 165 16.491 60.175 27.245 1.00 0.00 ATOM 1333 CG MET A 165 15.845 60.620 28.547 1.00 0.00 ATOM 1334 SD MET A 165 16.939 60.432 29.968 1.00 0.00 ATOM 1335 CE MET A 165 18.091 61.775 29.686 1.00 0.00 ATOM 1336 O MET A 165 13.942 62.070 25.894 1.00 0.00 ATOM 1337 C MET A 165 15.135 61.749 25.884 1.00 0.00 ATOM 1338 N GLN A 166 16.087 62.646 25.738 1.00 0.00 ATOM 1339 CA GLN A 166 15.869 64.077 25.629 1.00 0.00 ATOM 1340 CB GLN A 166 16.953 64.678 26.809 1.00 0.00 ATOM 1341 CG GLN A 166 16.677 65.985 27.453 1.00 0.00 ATOM 1342 CD GLN A 166 17.853 66.517 28.237 1.00 0.00 ATOM 1343 OE1 GLN A 166 19.007 66.132 28.014 1.00 0.00 ATOM 1344 NE2 GLN A 166 17.566 67.422 29.157 1.00 0.00 ATOM 1345 O GLN A 166 16.076 65.707 23.883 1.00 0.00 ATOM 1346 C GLN A 166 15.747 64.555 24.176 1.00 0.00 ATOM 1347 N VAL A 167 15.314 63.697 23.280 1.00 0.00 ATOM 1348 CA VAL A 167 14.916 64.081 21.917 1.00 0.00 ATOM 1349 CB VAL A 167 15.681 63.274 20.851 1.00 0.00 ATOM 1350 CG1 VAL A 167 15.207 63.652 19.456 1.00 0.00 ATOM 1351 CG2 VAL A 167 17.174 63.550 20.944 1.00 0.00 ATOM 1352 O VAL A 167 13.020 62.661 22.210 1.00 0.00 ATOM 1353 C VAL A 167 13.429 63.770 21.894 1.00 0.00 ATOM 1354 N GLU A 168 12.607 64.762 21.552 1.00 0.00 ATOM 1355 CA GLU A 168 11.164 64.593 21.512 1.00 0.00 ATOM 1356 CB GLU A 168 10.596 65.597 22.515 1.00 0.00 ATOM 1357 CG GLU A 168 9.082 65.549 22.653 1.00 0.00 ATOM 1358 CD GLU A 168 8.585 64.208 23.151 1.00 0.00 ATOM 1359 OE1 GLU A 168 9.042 63.766 24.226 1.00 0.00 ATOM 1360 OE2 GLU A 168 7.736 63.597 22.467 1.00 0.00 ATOM 1361 O GLU A 168 10.736 65.980 19.640 1.00 0.00 ATOM 1362 C GLU A 168 10.558 64.868 20.147 1.00 0.00 ATOM 1363 N PHE A 169 9.848 63.926 19.581 1.00 0.00 ATOM 1364 CA PHE A 169 9.111 64.186 18.333 1.00 0.00 ATOM 1365 CB PHE A 169 8.876 62.879 17.600 1.00 0.00 ATOM 1366 CG PHE A 169 8.153 63.063 16.274 1.00 0.00 ATOM 1367 CD1 PHE A 169 8.579 64.002 15.351 1.00 0.00 ATOM 1368 CD2 PHE A 169 7.021 62.312 15.999 1.00 0.00 ATOM 1369 CE1 PHE A 169 7.926 64.163 14.146 1.00 0.00 ATOM 1370 CE2 PHE A 169 6.383 62.451 14.786 1.00 0.00 ATOM 1371 CZ PHE A 169 6.822 63.369 13.868 1.00 0.00 ATOM 1372 O PHE A 169 7.027 64.083 19.521 1.00 0.00 ATOM 1373 C PHE A 169 7.746 64.692 18.654 1.00 0.00 ATOM 1374 N VAL A 170 7.286 65.762 18.042 1.00 0.00 ATOM 1375 CA VAL A 170 5.936 66.302 18.258 1.00 0.00 ATOM 1376 CB VAL A 170 5.984 67.740 18.808 1.00 0.00 ATOM 1377 CG1 VAL A 170 4.578 68.285 18.998 1.00 0.00 ATOM 1378 CG2 VAL A 170 6.697 67.771 20.152 1.00 0.00 ATOM 1379 O VAL A 170 5.574 67.078 15.998 1.00 0.00 ATOM 1380 C VAL A 170 5.172 66.321 16.945 1.00 0.00 ATOM 1381 N PRO A 171 4.118 65.554 16.800 1.00 0.00 ATOM 1382 CA PRO A 171 3.153 65.705 15.705 1.00 0.00 ATOM 1383 CB PRO A 171 2.463 64.342 15.630 1.00 0.00 ATOM 1384 CG PRO A 171 2.544 63.804 17.018 1.00 0.00 ATOM 1385 CD PRO A 171 3.824 64.339 17.598 1.00 0.00 ATOM 1386 O PRO A 171 1.276 66.614 16.908 1.00 0.00 ATOM 1387 C PRO A 171 2.219 66.805 16.066 1.00 0.00 ATOM 1388 N VAL A 172 2.317 68.007 15.583 1.00 0.00 ATOM 1389 CA VAL A 172 1.513 69.133 15.908 1.00 0.00 ATOM 1390 CB VAL A 172 2.310 70.446 15.796 1.00 0.00 ATOM 1391 CG1 VAL A 172 3.494 70.434 16.751 1.00 0.00 ATOM 1392 CG2 VAL A 172 2.833 70.633 14.380 1.00 0.00 ATOM 1393 O VAL A 172 -0.592 70.098 15.311 1.00 0.00 ATOM 1394 C VAL A 172 0.246 69.220 15.075 1.00 0.00 ATOM 1395 N PHE A 173 0.089 68.343 14.073 1.00 0.00 ATOM 1396 CA PHE A 173 -1.048 68.444 13.141 1.00 0.00 ATOM 1397 CB PHE A 173 -0.481 68.119 11.652 1.00 0.00 ATOM 1398 CG PHE A 173 -0.411 66.632 11.405 1.00 0.00 ATOM 1399 CD1 PHE A 173 0.802 65.948 11.488 1.00 0.00 ATOM 1400 CD2 PHE A 173 -1.548 65.924 11.039 1.00 0.00 ATOM 1401 CE1 PHE A 173 0.870 64.580 11.208 1.00 0.00 ATOM 1402 CE2 PHE A 173 -1.488 64.560 10.759 1.00 0.00 ATOM 1403 CZ PHE A 173 -0.279 63.887 10.843 1.00 0.00 ATOM 1404 O PHE A 173 -2.458 66.922 14.154 1.00 0.00 ATOM 1405 C PHE A 173 -2.365 68.093 13.793 1.00 0.00 ATOM 1406 N ASP A 174 -3.326 68.992 13.899 1.00 0.00 ATOM 1407 CA ASP A 174 -4.607 68.663 14.541 1.00 0.00 ATOM 1408 CB ASP A 174 -5.346 69.939 14.948 1.00 0.00 ATOM 1409 CG ASP A 174 -5.756 70.782 13.756 1.00 0.00 ATOM 1410 OD1 ASP A 174 -5.469 70.372 12.613 1.00 0.00 ATOM 1411 OD2 ASP A 174 -6.364 71.853 13.967 1.00 0.00 ATOM 1412 O ASP A 174 -6.615 67.479 14.039 1.00 0.00 ATOM 1413 C ASP A 174 -5.497 67.896 13.631 1.00 0.00 ATOM 1414 N CYS A 175 -4.962 67.725 12.302 1.00 0.00 ATOM 1415 CA CYS A 175 -5.731 67.096 11.275 1.00 0.00 ATOM 1416 CB CYS A 175 -6.466 65.908 11.669 1.00 0.00 ATOM 1417 SG CYS A 175 -7.257 65.031 10.290 1.00 0.00 ATOM 1418 O CYS A 175 -7.234 68.192 9.766 1.00 0.00 ATOM 1419 C CYS A 175 -6.056 68.035 10.145 1.00 0.00 ATOM 1420 N LEU A 176 -5.042 68.722 9.563 1.00 0.00 ATOM 1421 CA LEU A 176 -5.327 69.649 8.477 1.00 0.00 ATOM 1422 CB LEU A 176 -4.068 70.425 8.089 1.00 0.00 ATOM 1423 CG LEU A 176 -3.535 71.415 9.127 1.00 0.00 ATOM 1424 CD1 LEU A 176 -2.202 71.996 8.680 1.00 0.00 ATOM 1425 CD2 LEU A 176 -4.511 72.564 9.325 1.00 0.00 ATOM 1426 O LEU A 176 -6.608 69.621 6.493 1.00 0.00 ATOM 1427 C LEU A 176 -5.820 68.968 7.253 1.00 0.00 ATOM 1428 N THR A 177 -5.463 67.777 6.902 1.00 0.00 ATOM 1429 CA THR A 177 -6.000 67.075 5.752 1.00 0.00 ATOM 1430 CB THR A 177 -5.095 65.902 5.334 1.00 0.00 ATOM 1431 CG2 THR A 177 -5.662 65.202 4.110 1.00 0.00 ATOM 1432 OG1 THR A 177 -3.784 66.392 5.024 1.00 0.00 ATOM 1433 O THR A 177 -7.451 65.661 7.028 1.00 0.00 ATOM 1434 C THR A 177 -7.362 66.520 6.152 1.00 0.00 ATOM 1435 N ASP A 178 -8.446 67.043 5.553 1.00 0.00 ATOM 1436 CA ASP A 178 -9.803 66.611 5.871 1.00 0.00 ATOM 1437 CB ASP A 178 -10.821 67.791 5.697 1.00 0.00 ATOM 1438 CG ASP A 178 -11.043 68.207 4.233 1.00 0.00 ATOM 1439 OD1 ASP A 178 -11.706 69.260 4.064 1.00 0.00 ATOM 1440 OD2 ASP A 178 -10.584 67.527 3.306 1.00 0.00 ATOM 1441 O ASP A 178 -9.287 64.707 4.506 1.00 0.00 ATOM 1442 C ASP A 178 -10.103 65.254 5.247 1.00 0.00 ATOM 1443 N GLN A 179 -11.258 64.697 5.578 1.00 0.00 ATOM 1444 CA GLN A 179 -11.653 63.388 5.064 1.00 0.00 ATOM 1445 CB GLN A 179 -13.061 63.015 5.533 1.00 0.00 ATOM 1446 CG GLN A 179 -13.169 62.762 7.028 1.00 0.00 ATOM 1447 CD GLN A 179 -14.595 62.504 7.473 1.00 0.00 ATOM 1448 OE1 GLN A 179 -15.531 62.613 6.683 1.00 0.00 ATOM 1449 NE2 GLN A 179 -14.765 62.162 8.746 1.00 0.00 ATOM 1450 O GLN A 179 -11.472 62.310 2.956 1.00 0.00 ATOM 1451 C GLN A 179 -11.780 63.362 3.568 1.00 0.00 ATOM 1452 N ALA A 180 -12.258 64.420 2.760 1.00 0.00 ATOM 1453 CA ALA A 180 -12.378 64.445 1.318 1.00 0.00 ATOM 1454 CB ALA A 180 -13.226 65.611 0.834 1.00 0.00 ATOM 1455 O ALA A 180 -10.869 64.491 -0.534 1.00 0.00 ATOM 1456 C ALA A 180 -10.989 64.520 0.708 1.00 0.00 ATOM 1457 N GLY A 181 -9.924 64.626 1.521 1.00 0.00 ATOM 1458 CA GLY A 181 -8.558 64.638 0.979 1.00 0.00 ATOM 1459 O GLY A 181 -6.959 66.293 0.401 1.00 0.00 ATOM 1460 C GLY A 181 -8.123 66.091 0.879 1.00 0.00 ATOM 1461 N GLN A 182 -8.866 67.079 1.284 1.00 0.00 ATOM 1462 CA GLN A 182 -8.446 68.448 1.045 1.00 0.00 ATOM 1463 CB GLN A 182 -9.652 69.330 0.757 1.00 0.00 ATOM 1464 CG GLN A 182 -10.518 68.807 -0.384 1.00 0.00 ATOM 1465 CD GLN A 182 -9.714 68.486 -1.632 1.00 0.00 ATOM 1466 OE1 GLN A 182 -9.055 69.355 -2.203 1.00 0.00 ATOM 1467 NE2 GLN A 182 -9.764 67.228 -2.062 1.00 0.00 ATOM 1468 O GLN A 182 -8.252 68.841 3.407 1.00 0.00 ATOM 1469 C GLN A 182 -7.895 69.153 2.265 1.00 0.00 ATOM 1470 N LEU A 183 -7.039 70.143 2.012 1.00 0.00 ATOM 1471 CA LEU A 183 -6.467 70.959 3.076 1.00 0.00 ATOM 1472 CB LEU A 183 -4.978 71.201 2.870 1.00 0.00 ATOM 1473 CG LEU A 183 -4.073 69.964 2.988 1.00 0.00 ATOM 1474 CD1 LEU A 183 -2.628 70.426 2.660 1.00 0.00 ATOM 1475 CD2 LEU A 183 -4.101 69.328 4.344 1.00 0.00 ATOM 1476 O LEU A 183 -7.550 72.808 1.981 1.00 0.00 ATOM 1477 C LEU A 183 -7.289 72.252 3.049 1.00 0.00 ATOM 1478 N LYS A 184 -7.730 72.845 4.227 1.00 0.00 ATOM 1479 CA LYS A 184 -8.498 74.087 4.289 1.00 0.00 ATOM 1480 CB LYS A 184 -9.437 74.253 5.486 1.00 0.00 ATOM 1481 CG LYS A 184 -10.488 73.161 5.607 1.00 0.00 ATOM 1482 CD LYS A 184 -11.401 73.402 6.797 1.00 0.00 ATOM 1483 CE LYS A 184 -12.404 72.271 6.962 1.00 0.00 ATOM 1484 NZ LYS A 184 -13.318 72.503 8.115 1.00 0.00 ATOM 1485 O LYS A 184 -6.777 75.609 4.981 1.00 0.00 ATOM 1486 C LYS A 184 -7.695 75.352 4.174 1.00 0.00 ATOM 1487 N LYS A 185 -8.128 76.274 3.324 1.00 0.00 ATOM 1488 CA LYS A 185 -7.478 77.585 3.262 1.00 0.00 ATOM 1489 CB LYS A 185 -8.017 78.395 2.081 1.00 0.00 ATOM 1490 CG LYS A 185 -7.656 77.823 0.720 1.00 0.00 ATOM 1491 CD LYS A 185 -8.213 78.680 -0.405 1.00 0.00 ATOM 1492 CE LYS A 185 -7.842 78.114 -1.767 1.00 0.00 ATOM 1493 NZ LYS A 185 -8.391 78.937 -2.879 1.00 0.00 ATOM 1494 O LYS A 185 -6.669 79.101 4.942 1.00 0.00 ATOM 1495 C LYS A 185 -7.558 78.321 4.601 1.00 0.00 ATOM 1496 N GLU A 186 -8.637 78.038 5.339 1.00 0.00 ATOM 1497 CA GLU A 186 -8.866 78.664 6.641 1.00 0.00 ATOM 1498 CB GLU A 186 -10.136 78.169 7.336 1.00 0.00 ATOM 1499 CG GLU A 186 -11.425 78.642 6.684 1.00 0.00 ATOM 1500 CD GLU A 186 -12.659 78.058 7.344 1.00 0.00 ATOM 1501 OE1 GLU A 186 -12.505 77.236 8.271 1.00 0.00 ATOM 1502 OE2 GLU A 186 -13.781 78.424 6.935 1.00 0.00 ATOM 1503 O GLU A 186 -7.498 79.201 8.491 1.00 0.00 ATOM 1504 C GLU A 186 -7.705 78.400 7.608 1.00 0.00 ATOM 1505 N TYR A 187 -7.036 77.284 7.384 1.00 0.00 ATOM 1506 CA TYR A 187 -5.840 76.960 8.175 1.00 0.00 ATOM 1507 CB TYR A 187 -5.750 75.452 8.418 1.00 0.00 ATOM 1508 CG TYR A 187 -6.873 74.899 9.268 1.00 0.00 ATOM 1509 CD1 TYR A 187 -7.973 74.287 8.681 1.00 0.00 ATOM 1510 CD2 TYR A 187 -6.829 74.994 10.652 1.00 0.00 ATOM 1511 CE1 TYR A 187 -9.004 73.780 9.449 1.00 0.00 ATOM 1512 CE2 TYR A 187 -7.852 74.492 11.437 1.00 0.00 ATOM 1513 CZ TYR A 187 -8.944 73.881 10.821 1.00 0.00 ATOM 1514 OH TYR A 187 -9.969 73.377 11.589 1.00 0.00 ATOM 1515 O TYR A 187 -3.639 77.877 8.184 1.00 0.00 ATOM 1516 C TYR A 187 -4.534 77.374 7.505 1.00 0.00 ATOM 1517 N THR A 188 -4.496 77.130 6.131 1.00 0.00 ATOM 1518 CA THR A 188 -3.301 77.514 5.384 1.00 0.00 ATOM 1519 CB THR A 188 -2.495 76.280 4.940 1.00 0.00 ATOM 1520 CG2 THR A 188 -1.239 76.705 4.193 1.00 0.00 ATOM 1521 OG1 THR A 188 -2.111 75.516 6.090 1.00 0.00 ATOM 1522 O THR A 188 -4.404 77.703 3.283 1.00 0.00 ATOM 1523 C THR A 188 -3.796 78.283 4.175 1.00 0.00 ATOM 1524 N THR A 189 -3.560 79.592 4.160 1.00 0.00 ATOM 1525 CA THR A 189 -4.051 80.432 3.074 1.00 0.00 ATOM 1526 CB THR A 189 -3.677 81.911 3.289 1.00 0.00 ATOM 1527 CG2 THR A 189 -4.165 82.758 2.125 1.00 0.00 ATOM 1528 OG1 THR A 189 -4.283 82.388 4.497 1.00 0.00 ATOM 1529 O THR A 189 -4.244 80.332 0.698 1.00 0.00 ATOM 1530 C THR A 189 -3.537 80.105 1.673 1.00 0.00 ATOM 1531 N ASP A 190 -2.325 79.576 1.547 1.00 0.00 ATOM 1532 CA ASP A 190 -1.762 79.199 0.264 1.00 0.00 ATOM 1533 CB ASP A 190 -0.465 79.965 0.000 1.00 0.00 ATOM 1534 CG ASP A 190 0.607 79.667 1.030 1.00 0.00 ATOM 1535 OD1 ASP A 190 0.315 78.928 1.993 1.00 0.00 ATOM 1536 OD2 ASP A 190 1.739 80.170 0.873 1.00 0.00 ATOM 1537 O ASP A 190 -0.729 77.241 -0.646 1.00 0.00 ATOM 1538 C ASP A 190 -1.490 77.704 0.199 1.00 0.00 ATOM 1539 N GLY A 191 -2.148 76.924 1.099 1.00 0.00 ATOM 1540 CA GLY A 191 -1.958 75.487 1.121 1.00 0.00 ATOM 1541 O GLY A 191 -0.173 73.870 1.367 1.00 0.00 ATOM 1542 C GLY A 191 -0.550 75.038 1.544 1.00 0.00 ATOM 1543 N LEU A 192 0.576 75.990 2.274 1.00 0.00 ATOM 1544 CA LEU A 192 1.884 75.663 2.853 1.00 0.00 ATOM 1545 CB LEU A 192 3.010 76.097 1.913 1.00 0.00 ATOM 1546 CG LEU A 192 4.437 75.869 2.414 1.00 0.00 ATOM 1547 CD1 LEU A 192 4.713 74.384 2.595 1.00 0.00 ATOM 1548 CD2 LEU A 192 5.451 76.423 1.423 1.00 0.00 ATOM 1549 O LEU A 192 2.308 75.772 5.231 1.00 0.00 ATOM 1550 C LEU A 192 2.030 76.388 4.179 1.00 0.00 ATOM 1551 N HIS A 193 1.910 77.697 4.143 1.00 0.00 ATOM 1552 CA HIS A 193 2.099 78.547 5.311 1.00 0.00 ATOM 1553 CB HIS A 193 2.528 79.953 4.884 1.00 0.00 ATOM 1554 CG HIS A 193 3.868 79.999 4.218 1.00 0.00 ATOM 1555 CD2 HIS A 193 4.942 79.046 3.979 1.00 0.00 ATOM 1556 ND1 HIS A 193 4.370 81.141 3.634 1.00 0.00 ATOM 1557 CE1 HIS A 193 5.585 80.875 3.122 1.00 0.00 ATOM 1558 NE2 HIS A 193 5.934 79.619 3.326 1.00 0.00 ATOM 1559 O HIS A 193 -0.273 78.802 5.550 1.00 0.00 ATOM 1560 C HIS A 193 0.820 78.666 6.106 1.00 0.00 ATOM 1561 N LEU A 194 0.947 78.632 7.419 1.00 0.00 ATOM 1562 CA LEU A 194 -0.212 78.687 8.310 1.00 0.00 ATOM 1563 CB LEU A 194 0.151 78.144 9.694 1.00 0.00 ATOM 1564 CG LEU A 194 0.577 76.675 9.754 1.00 0.00 ATOM 1565 CD1 LEU A 194 1.003 76.297 11.164 1.00 0.00 ATOM 1566 CD2 LEU A 194 -0.569 75.765 9.344 1.00 0.00 ATOM 1567 O LEU A 194 -0.053 81.071 8.464 1.00 0.00 ATOM 1568 C LEU A 194 -0.774 80.084 8.535 1.00 0.00 ATOM 1569 N SER A 195 -2.075 80.161 8.778 1.00 0.00 ATOM 1570 CA SER A 195 -2.697 81.439 9.089 1.00 0.00 ATOM 1571 CB SER A 195 -4.130 81.480 8.555 1.00 0.00 ATOM 1572 OG SER A 195 -4.970 80.595 9.276 1.00 0.00 ATOM 1573 O SER A 195 -2.398 80.414 11.283 1.00 0.00 ATOM 1574 C SER A 195 -2.801 81.390 10.610 1.00 0.00 ATOM 1575 N ILE A 196 -3.304 82.358 11.097 1.00 0.00 ATOM 1576 CA ILE A 196 -3.582 82.434 12.537 1.00 0.00 ATOM 1577 CB ILE A 196 -4.279 83.734 12.981 1.00 0.00 ATOM 1578 CG1 ILE A 196 -3.404 84.945 12.654 1.00 0.00 ATOM 1579 CG2 ILE A 196 -4.535 83.715 14.479 1.00 0.00 ATOM 1580 CD1 ILE A 196 -4.113 86.272 12.812 1.00 0.00 ATOM 1581 O ILE A 196 -4.022 80.717 14.119 1.00 0.00 ATOM 1582 C ILE A 196 -4.381 81.271 13.081 1.00 0.00 ATOM 1583 N ALA A 197 -5.468 80.901 12.400 1.00 0.00 ATOM 1584 CA ALA A 197 -6.269 79.781 12.813 1.00 0.00 ATOM 1585 CB ALA A 197 -7.447 79.594 11.868 1.00 0.00 ATOM 1586 O ALA A 197 -5.536 77.710 13.753 1.00 0.00 ATOM 1587 C ALA A 197 -5.451 78.510 12.825 1.00 0.00 ATOM 1588 N GLY A 198 -4.628 78.271 11.774 1.00 0.00 ATOM 1589 CA GLY A 198 -3.798 77.075 11.730 1.00 0.00 ATOM 1590 O GLY A 198 -2.499 75.929 13.438 1.00 0.00 ATOM 1591 C GLY A 198 -2.806 76.984 12.883 1.00 0.00 ATOM 1592 N TYR A 199 -2.266 78.180 13.222 1.00 0.00 ATOM 1593 CA TYR A 199 -1.255 78.282 14.272 1.00 0.00 ATOM 1594 CB TYR A 199 -0.685 79.699 14.361 1.00 0.00 ATOM 1595 CG TYR A 199 0.256 80.053 13.231 1.00 0.00 ATOM 1596 CD1 TYR A 199 -0.145 80.904 12.211 1.00 0.00 ATOM 1597 CD2 TYR A 199 1.544 79.532 13.190 1.00 0.00 ATOM 1598 CE1 TYR A 199 0.709 81.232 11.175 1.00 0.00 ATOM 1599 CE2 TYR A 199 2.411 79.850 12.162 1.00 0.00 ATOM 1600 CZ TYR A 199 1.982 80.707 11.151 1.00 0.00 ATOM 1601 OH TYR A 199 2.835 81.033 10.120 1.00 0.00 ATOM 1602 O TYR A 199 -0.987 77.696 16.569 1.00 0.00 ATOM 1603 C TYR A 199 -1.777 78.006 15.674 1.00 0.00 ATOM 1604 N GLN A 200 -3.177 78.100 15.968 1.00 0.00 ATOM 1605 CA GLN A 200 -3.690 77.977 17.314 1.00 0.00 ATOM 1606 CB GLN A 200 -5.199 78.226 17.365 1.00 0.00 ATOM 1607 CG GLN A 200 -5.812 78.043 18.743 1.00 0.00 ATOM 1608 CD GLN A 200 -7.301 78.330 18.763 1.00 0.00 ATOM 1609 OE1 GLN A 200 -7.891 78.661 17.734 1.00 0.00 ATOM 1610 NE2 GLN A 200 -7.912 78.202 19.935 1.00 0.00 ATOM 1611 O GLN A 200 -2.841 76.427 18.910 1.00 0.00 ATOM 1612 C GLN A 200 -3.456 76.581 17.826 1.00 0.00 ATOM 1613 N ALA A 201 -3.878 75.524 17.207 1.00 0.00 ATOM 1614 CA ALA A 201 -3.706 74.162 17.701 1.00 0.00 ATOM 1615 CB ALA A 201 -4.412 73.174 16.786 1.00 0.00 ATOM 1616 O ALA A 201 -1.809 73.088 18.650 1.00 0.00 ATOM 1617 C ALA A 201 -2.233 73.790 17.724 1.00 0.00 ATOM 1618 N LEU A 202 -1.452 74.219 16.752 1.00 0.00 ATOM 1619 CA LEU A 202 -0.007 73.933 16.746 1.00 0.00 ATOM 1620 CB LEU A 202 0.570 74.468 15.441 1.00 0.00 ATOM 1621 CG LEU A 202 2.074 74.271 15.305 1.00 0.00 ATOM 1622 CD1 LEU A 202 2.463 72.834 15.353 1.00 0.00 ATOM 1623 CD2 LEU A 202 2.619 74.941 14.055 1.00 0.00 ATOM 1624 O LEU A 202 1.500 73.943 18.621 1.00 0.00 ATOM 1625 C LEU A 202 0.700 74.582 17.914 1.00 0.00 ATOM 1626 N SER A 203 0.463 75.838 18.135 1.00 0.00 ATOM 1627 CA SER A 203 1.090 76.599 19.224 1.00 0.00 ATOM 1628 CB SER A 203 0.680 78.070 19.154 1.00 0.00 ATOM 1629 OG SER A 203 -0.710 78.225 19.382 1.00 0.00 ATOM 1630 O SER A 203 1.531 75.969 21.483 1.00 0.00 ATOM 1631 C SER A 203 0.685 76.065 20.584 1.00 0.00 ATOM 1632 N LYS A 204 -0.569 75.663 20.761 1.00 0.00 ATOM 1633 CA LYS A 204 -0.992 75.123 22.056 1.00 0.00 ATOM 1634 CB LYS A 204 -2.498 74.851 22.057 1.00 0.00 ATOM 1635 CG LYS A 204 -3.355 76.106 22.045 1.00 0.00 ATOM 1636 CD LYS A 204 -4.836 75.763 22.052 1.00 0.00 ATOM 1637 CE LYS A 204 -5.693 77.019 22.005 1.00 0.00 ATOM 1638 NZ LYS A 204 -7.147 76.697 21.988 1.00 0.00 ATOM 1639 O LYS A 204 0.209 73.592 23.453 1.00 0.00 ATOM 1640 C LYS A 204 -0.256 73.838 22.312 1.00 0.00 ATOM 1641 N SER A 205 -0.112 72.923 21.356 1.00 0.00 ATOM 1642 CA SER A 205 0.613 71.682 21.551 1.00 0.00 ATOM 1643 CB SER A 205 0.567 70.830 20.282 1.00 0.00 ATOM 1644 OG SER A 205 -0.753 70.396 20.005 1.00 0.00 ATOM 1645 O SER A 205 2.652 71.355 22.789 1.00 0.00 ATOM 1646 C SER A 205 2.083 71.961 21.893 1.00 0.00 ATOM 1647 N LEU A 206 2.720 72.910 21.186 1.00 0.00 ATOM 1648 CA LEU A 206 4.109 73.227 21.449 1.00 0.00 ATOM 1649 CB LEU A 206 4.649 74.131 20.351 1.00 0.00 ATOM 1650 CG LEU A 206 6.090 74.616 20.449 1.00 0.00 ATOM 1651 CD1 LEU A 206 7.015 73.429 20.570 1.00 0.00 ATOM 1652 CD2 LEU A 206 6.404 75.411 19.216 1.00 0.00 ATOM 1653 O LEU A 206 5.112 73.528 23.601 1.00 0.00 ATOM 1654 C LEU A 206 4.236 73.892 22.826 1.00 0.00 ATOM 1655 N LYS A 207 3.359 74.871 23.169 1.00 0.00 ATOM 1656 CA LYS A 207 3.425 75.519 24.473 1.00 0.00 ATOM 1657 CB LYS A 207 2.331 76.577 24.611 1.00 0.00 ATOM 1658 CG LYS A 207 2.348 77.319 25.937 1.00 0.00 ATOM 1659 CD LYS A 207 1.286 78.408 25.975 1.00 0.00 ATOM 1660 CE LYS A 207 1.283 79.131 27.312 1.00 0.00 ATOM 1661 NZ LYS A 207 0.239 80.189 27.369 1.00 0.00 ATOM 1662 O LYS A 207 3.991 74.647 26.588 1.00 0.00 ATOM 1663 C LYS A 207 3.229 74.514 25.599 1.00 0.00 ATOM 1664 N ASP A 208 2.357 73.532 25.479 1.00 0.00 ATOM 1665 CA ASP A 208 2.141 72.571 26.564 1.00 0.00 ATOM 1666 CB ASP A 208 1.028 71.587 26.196 1.00 0.00 ATOM 1667 CG ASP A 208 -0.347 72.223 26.237 1.00 0.00 ATOM 1668 OD1 ASP A 208 -0.469 73.345 26.774 1.00 0.00 ATOM 1669 OD2 ASP A 208 -1.305 71.601 25.731 1.00 0.00 ATOM 1670 O ASP A 208 3.847 71.655 27.983 1.00 0.00 ATOM 1671 C ASP A 208 3.438 71.815 26.834 1.00 0.00 ATOM 1672 N TYR A 209 4.060 71.365 25.770 1.00 0.00 ATOM 1673 CA TYR A 209 5.318 70.632 25.892 1.00 0.00 ATOM 1674 CB TYR A 209 5.824 70.118 24.543 1.00 0.00 ATOM 1675 CG TYR A 209 7.161 69.415 24.617 1.00 0.00 ATOM 1676 CD1 TYR A 209 7.253 68.108 25.077 1.00 0.00 ATOM 1677 CD2 TYR A 209 8.327 70.062 24.229 1.00 0.00 ATOM 1678 CE1 TYR A 209 8.470 67.458 25.148 1.00 0.00 ATOM 1679 CE2 TYR A 209 9.553 69.428 24.293 1.00 0.00 ATOM 1680 CZ TYR A 209 9.616 68.115 24.758 1.00 0.00 ATOM 1681 OH TYR A 209 10.830 67.470 24.827 1.00 0.00 ATOM 1682 O TYR A 209 7.102 71.034 27.377 1.00 0.00 ATOM 1683 C TYR A 209 6.394 71.503 26.466 1.00 0.00 ATOM 1684 N LEU A 210 6.598 72.730 26.025 1.00 0.00 ATOM 1685 CA LEU A 210 7.629 73.615 26.523 1.00 0.00 ATOM 1686 CB LEU A 210 7.580 74.959 25.793 1.00 0.00 ATOM 1687 CG LEU A 210 8.635 75.989 26.199 1.00 0.00 ATOM 1688 CD1 LEU A 210 10.034 75.465 25.921 1.00 0.00 ATOM 1689 CD2 LEU A 210 8.449 77.284 25.421 1.00 0.00 ATOM 1690 O LEU A 210 8.403 73.951 28.783 1.00 0.00 ATOM 1691 C LEU A 210 7.440 73.910 28.013 1.00 0.00 ATOM 1692 N TYR A 211 6.174 74.056 28.400 1.00 0.00 ATOM 1693 CA TYR A 211 5.854 74.334 29.832 1.00 0.00 ATOM 1694 CB TYR A 211 4.357 74.593 30.018 1.00 0.00 ATOM 1695 CG TYR A 211 3.966 74.924 31.441 1.00 0.00 ATOM 1696 CD1 TYR A 211 4.225 76.180 31.976 1.00 0.00 ATOM 1697 CD2 TYR A 211 3.340 73.979 32.244 1.00 0.00 ATOM 1698 CE1 TYR A 211 3.870 76.490 33.275 1.00 0.00 ATOM 1699 CE2 TYR A 211 2.979 74.272 33.546 1.00 0.00 ATOM 1700 CZ TYR A 211 3.249 75.540 34.057 1.00 0.00 ATOM 1701 OH TYR A 211 2.894 75.847 35.351 1.00 0.00 ATOM 1702 O TYR A 211 6.603 73.367 31.905 1.00 0.00 ATOM 1703 C TYR A 211 6.226 73.162 30.748 1.00 0.00 ENDMDL EXPDTA 2hsjA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hsjA ATOM 1 N MET 1 17.183 84.272 -17.349 1.00 0.00 ATOM 2 CA MET 1 16.077 83.417 -16.832 1.00 0.00 ATOM 3 CB MET 1 16.555 81.971 -16.645 1.00 0.00 ATOM 4 CG MET 1 15.452 80.952 -16.341 1.00 0.00 ATOM 5 SD MET 1 14.795 79.971 -17.917 1.00 0.00 ATOM 6 CE MET 1 14.052 81.461 -18.954 1.00 0.00 ATOM 7 O MET 1 16.282 84.125 -14.539 1.00 0.00 ATOM 8 C MET 1 15.538 83.981 -15.518 1.00 0.00 ATOM 9 N ALA 2 14.244 84.294 -15.503 1.00 0.00 ATOM 10 CA ALA 2 13.604 84.879 -14.330 1.00 0.00 ATOM 11 CB ALA 2 12.184 85.314 -14.674 1.00 0.00 ATOM 12 O ALA 2 13.806 84.370 -11.986 1.00 0.00 ATOM 13 C ALA 2 13.617 83.932 -13.128 1.00 0.00 ATOM 14 N VAL 3 13.450 82.638 -13.390 1.00 0.00 ATOM 15 CA VAL 3 13.475 81.626 -12.328 1.00 0.00 ATOM 16 CB VAL 3 12.890 80.271 -12.806 1.00 0.00 ATOM 17 CG1 VAL 3 13.031 79.183 -11.722 1.00 0.00 ATOM 18 CG2 VAL 3 11.419 80.445 -13.211 1.00 0.00 ATOM 19 O VAL 3 14.992 81.401 -10.473 1.00 0.00 ATOM 20 C VAL 3 14.872 81.471 -11.698 1.00 0.00 ATOM 21 N GLN 4 15.917 81.447 -12.524 1.00 0.00 ATOM 22 CA GLN 4 17.285 81.485 -12.017 1.00 0.00 ATOM 23 CB GLN 4 18.291 81.540 -13.175 1.00 0.00 ATOM 24 CG GLN 4 19.540 82.410 -12.942 1.00 0.00 ATOM 25 CD GLN 4 20.676 81.703 -12.197 1.00 0.00 ATOM 26 OE1 GLN 4 20.483 80.652 -11.563 1.00 0.00 ATOM 27 NE2 GLN 4 21.878 82.291 -12.269 1.00 0.00 ATOM 28 O GLN 4 18.010 82.491 -9.946 1.00 0.00 ATOM 29 C GLN 4 17.467 82.661 -11.044 1.00 0.00 ATOM 30 N LEU 5 16.972 83.837 -11.424 1.00 0.00 ATOM 31 CA LEU 5 17.115 85.017 -10.570 1.00 0.00 ATOM 32 CB LEU 5 17.110 86.309 -11.412 1.00 0.00 ATOM 33 CG LEU 5 18.311 86.402 -12.384 1.00 0.00 ATOM 34 CD1 LEU 5 17.904 86.923 -13.734 1.00 0.00 ATOM 35 CD2 LEU 5 19.508 87.197 -11.849 1.00 0.00 ATOM 36 O LEU 5 16.460 85.692 -8.342 1.00 0.00 ATOM 37 C LEU 5 16.151 85.056 -9.352 1.00 0.00 ATOM 38 N LEU 6 15.019 84.355 -9.420 1.00 0.00 ATOM 39 CA LEU 6 14.201 84.132 -8.209 1.00 0.00 ATOM 40 CB LEU 6 12.800 83.622 -8.539 1.00 0.00 ATOM 41 CG LEU 6 11.735 84.623 -9.006 1.00 0.00 ATOM 42 CD1 LEU 6 10.354 84.004 -8.798 1.00 0.00 ATOM 43 CD2 LEU 6 11.836 85.975 -8.286 1.00 0.00 ATOM 44 O LEU 6 14.845 83.408 -6.006 1.00 0.00 ATOM 45 C LEU 6 14.884 83.179 -7.225 1.00 0.00 ATOM 46 N GLU 7 15.501 82.118 -7.746 1.00 0.00 ATOM 47 CA GLU 7 16.377 81.270 -6.933 1.00 0.00 ATOM 48 CB GLU 7 17.003 80.159 -7.777 1.00 0.00 ATOM 49 CG GLU 7 16.032 79.052 -8.178 1.00 0.00 ATOM 50 CD GLU 7 16.658 78.052 -9.141 1.00 0.00 ATOM 51 OE1 GLU 7 17.874 78.167 -9.423 1.00 0.00 ATOM 52 OE2 GLU 7 15.935 77.151 -9.629 1.00 0.00 ATOM 53 O GLU 7 17.789 81.980 -5.103 1.00 0.00 ATOM 54 C GLU 7 17.477 82.121 -6.293 1.00 0.00 ATOM 55 N ASN 8 18.050 83.014 -7.094 1.00 0.00 ATOM 56 CA ASN 8 19.063 83.939 -6.605 1.00 0.00 ATOM 57 CB ASN 8 19.738 84.668 -7.764 1.00 0.00 ATOM 58 CG ASN 8 20.554 83.732 -8.643 1.00 0.00 ATOM 59 ND2 ASN 8 20.974 84.234 -9.802 1.00 0.00 ATOM 60 OD1 ASN 8 20.793 82.574 -8.298 1.00 0.00 ATOM 61 O ASN 8 19.241 85.200 -4.604 1.00 0.00 ATOM 62 C ASN 8 18.535 84.926 -5.564 1.00 0.00 ATOM 63 N TRP 9 17.325 85.445 -5.764 1.00 0.00 ATOM 64 CA TRP 9 16.693 86.303 -4.764 1.00 0.00 ATOM 65 CB TRP 9 15.264 86.688 -5.174 1.00 0.00 ATOM 66 CG TRP 9 14.475 87.340 -4.072 1.00 0.00 ATOM 67 CD1 TRP 9 14.596 88.626 -3.621 1.00 0.00 ATOM 68 CD2 TRP 9 13.450 86.733 -3.281 1.00 0.00 ATOM 69 CE2 TRP 9 12.990 87.710 -2.370 1.00 0.00 ATOM 70 CE3 TRP 9 12.873 85.457 -3.255 1.00 0.00 ATOM 71 NE1 TRP 9 13.703 88.858 -2.602 1.00 0.00 ATOM 72 CZ2 TRP 9 11.976 87.451 -1.445 1.00 0.00 ATOM 73 CZ3 TRP 9 11.874 85.200 -2.343 1.00 0.00 ATOM 74 CH2 TRP 9 11.428 86.197 -1.450 1.00 0.00 ATOM 75 O TRP 9 17.280 86.064 -2.447 1.00 0.00 ATOM 76 C TRP 9 16.691 85.576 -3.419 1.00 0.00 ATOM 77 N LEU 10 16.059 84.403 -3.389 1.00 0.00 ATOM 78 CA LEU 10 15.919 83.627 -2.154 1.00 0.00 ATOM 79 CB LEU 10 15.232 82.286 -2.428 1.00 0.00 ATOM 80 CG LEU 10 15.073 81.367 -1.198 1.00 0.00 ATOM 81 CD1 LEU 10 14.205 81.994 -0.084 1.00 0.00 ATOM 82 CD2 LEU 10 14.519 80.005 -1.639 1.00 0.00 ATOM 83 O LEU 10 17.411 83.633 -0.272 1.00 0.00 ATOM 84 C LEU 10 17.272 83.400 -1.476 1.00 0.00 ATOM 85 N LEU 11 18.277 82.975 -2.241 1.00 0.00 ATOM 86 CA LEU 11 19.598 82.732 -1.677 1.00 0.00 ATOM 87 CB LEU 11 20.567 82.286 -2.766 1.00 0.00 ATOM 88 CG LEU 11 20.994 80.821 -2.945 1.00 0.00 ATOM 89 CD1 LEU 11 20.124 79.827 -2.193 1.00 0.00 ATOM 90 CD2 LEU 11 21.088 80.448 -4.442 1.00 0.00 ATOM 91 O LEU 11 20.698 83.897 0.116 1.00 0.00 ATOM 92 C LEU 11 20.165 83.973 -1.002 1.00 0.00 ATOM 93 N LYS 12 20.056 85.113 -1.687 1.00 0.00 ATOM 94 CA LYS 12 20.551 86.374 -1.129 1.00 0.00 ATOM 95 CB LYS 12 20.524 87.495 -2.169 1.00 0.00 ATOM 96 CG LYS 12 21.343 87.190 -3.428 1.00 0.00 ATOM 97 CD LYS 12 22.854 87.411 -3.271 1.00 0.00 ATOM 98 CE LYS 12 23.584 87.108 -4.590 1.00 0.00 ATOM 99 NZ LYS 12 25.080 87.118 -4.464 1.00 0.00 ATOM 100 O LYS 12 20.357 87.320 1.063 1.00 0.00 ATOM 101 C LYS 12 19.774 86.784 0.124 1.00 0.00 ATOM 102 N GLU 13 18.472 86.529 0.161 1.00 0.00 ATOM 103 CA GLU 13 17.722 86.908 1.349 1.00 0.00 ATOM 104 CB GLU 13 16.212 86.909 1.123 1.00 0.00 ATOM 105 CG GLU 13 15.701 87.924 0.097 1.00 0.00 ATOM 106 CD GLU 13 15.927 89.383 0.509 1.00 0.00 ATOM 107 OE1 GLU 13 15.813 89.712 1.708 1.00 0.00 ATOM 108 OE2 GLU 13 16.202 90.217 -0.377 1.00 0.00 ATOM 109 O GLU 13 18.246 86.424 3.648 1.00 0.00 ATOM 110 C GLU 13 18.116 85.984 2.505 1.00 0.00 ATOM 111 N GLN 14 18.333 84.706 2.208 1.00 0.00 ATOM 112 CA GLN 14 18.797 83.769 3.245 1.00 0.00 ATOM 113 CB GLN 14 18.880 82.333 2.699 1.00 0.00 ATOM 114 CG GLN 14 17.510 81.750 2.376 1.00 0.00 ATOM 115 CD GLN 14 17.583 80.366 1.720 1.00 0.00 ATOM 116 OE1 GLN 14 18.528 80.063 0.997 1.00 0.00 ATOM 117 NE2 GLN 14 16.580 79.533 1.974 1.00 0.00 ATOM 118 O GLN 14 20.372 84.161 5.022 1.00 0.00 ATOM 119 C GLN 14 20.164 84.178 3.808 1.00 0.00 ATOM 120 N GLU 15 21.101 84.556 2.930 1.00 0.00 ATOM 121 CA GLU 15 22.430 84.991 3.400 1.00 0.00 ATOM 122 CB GLU 15 23.388 85.229 2.233 1.00 0.00 ATOM 123 CG GLU 15 23.593 83.984 1.409 1.00 0.00 ATOM 124 CD GLU 15 24.456 84.225 0.197 1.00 0.00 ATOM 125 OE1 GLU 15 24.577 85.396 -0.243 1.00 0.00 ATOM 126 OE2 GLU 15 25.008 83.231 -0.320 1.00 0.00 ATOM 127 O GLU 15 23.053 86.333 5.290 1.00 0.00 ATOM 128 C GLU 15 22.339 86.241 4.284 1.00 0.00 ATOM 129 N LYS 16 21.460 87.173 3.910 1.00 0.00 ATOM 130 CA LYS 16 21.250 88.395 4.683 1.00 0.00 ATOM 131 CB LYS 16 20.255 89.305 3.975 1.00 0.00 ATOM 132 CG LYS 16 20.906 90.072 2.825 1.00 0.00 ATOM 133 CD LYS 16 19.888 90.642 1.842 1.00 0.00 ATOM 134 CE LYS 16 18.989 91.673 2.462 1.00 0.00 ATOM 135 NZ LYS 16 18.220 92.359 1.381 1.00 0.00 ATOM 136 O LYS 16 21.183 88.635 7.076 1.00 0.00 ATOM 137 C LYS 16 20.730 88.052 6.086 1.00 0.00 ATOM 138 N ILE 17 19.795 87.102 6.176 1.00 0.00 ATOM 139 CA ILE 17 19.290 86.690 7.487 1.00 0.00 ATOM 140 CB ILE 17 17.950 85.904 7.393 1.00 0.00 ATOM 141 CG1 ILE 17 16.873 86.807 6.738 1.00 0.00 ATOM 142 CG2 ILE 17 17.523 85.489 8.772 1.00 0.00 ATOM 143 CD1 ILE 17 15.701 86.049 6.111 1.00 0.00 ATOM 144 O ILE 17 20.497 86.164 9.562 1.00 0.00 ATOM 145 C ILE 17 20.358 85.949 8.318 1.00 0.00 ATOM 146 N GLN 18 21.117 85.085 7.653 1.00 0.00 ATOM 147 CA GLN 18 22.258 84.445 8.314 1.00 0.00 ATOM 148 CB GLN 18 22.983 83.461 7.376 1.00 0.00 ATOM 149 CG GLN 18 22.114 82.253 7.043 1.00 0.00 ATOM 150 CD GLN 18 22.526 81.510 5.808 1.00 0.00 ATOM 151 OE1 GLN 18 23.285 82.028 4.960 1.00 0.00 ATOM 152 NE2 GLN 18 22.027 80.254 5.684 1.00 0.00 ATOM 153 O GLN 18 23.687 85.291 10.038 1.00 0.00 ATOM 154 C GLN 18 23.249 85.446 8.902 1.00 0.00 ATOM 155 N THR 19 23.560 86.486 8.136 1.00 0.00 ATOM 156 CA THR 19 24.451 87.547 8.622 1.00 0.00 ATOM 157 CB THR 19 24.706 88.587 7.523 1.00 0.00 ATOM 158 CG2 THR 19 25.543 89.783 8.071 1.00 0.00 ATOM 159 OG1 THR 19 25.422 87.938 6.453 1.00 0.00 ATOM 160 O THR 19 24.494 88.399 10.873 1.00 0.00 ATOM 161 C THR 19 23.829 88.221 9.846 1.00 0.00 ATOM 162 N LYS 20 22.535 88.537 9.753 1.00 0.00 ATOM 163 CA LYS 20 21.840 89.211 10.849 1.00 0.00 ATOM 164 CB LYS 20 20.382 89.482 10.455 1.00 0.00 ATOM 165 CG LYS 20 19.539 90.221 11.467 1.00 0.00 ATOM 166 CD LYS 20 18.057 90.162 11.074 1.00 0.00 ATOM 167 CE LYS 20 17.250 91.109 11.971 1.00 0.00 ATOM 168 NZ LYS 20 15.775 91.047 11.606 1.00 0.00 ATOM 169 O LYS 20 22.233 88.878 13.212 1.00 0.00 ATOM 170 C LYS 20 21.895 88.373 12.123 1.00 0.00 ATOM 171 N TYR 21 21.566 87.085 11.992 1.00 0.00 ATOM 172 CA TYR 21 21.572 86.180 13.124 1.00 0.00 ATOM 173 CB TYR 21 21.050 84.815 12.688 1.00 0.00 ATOM 174 CG TYR 21 19.556 84.714 12.464 1.00 0.00 ATOM 175 CD1 TYR 21 18.680 85.736 12.870 1.00 0.00 ATOM 176 CD2 TYR 21 19.010 83.578 11.875 1.00 0.00 ATOM 177 CE1 TYR 21 17.298 85.617 12.689 1.00 0.00 ATOM 178 CE2 TYR 21 17.632 83.438 11.715 1.00 0.00 ATOM 179 CZ TYR 21 16.784 84.452 12.113 1.00 0.00 ATOM 180 OH TYR 21 15.416 84.333 11.949 1.00 0.00 ATOM 181 O TYR 21 23.157 85.993 14.918 1.00 0.00 ATOM 182 C TYR 21 22.973 86.019 13.704 1.00 0.00 ATOM 183 N ARG 22 23.963 85.861 12.840 1.00 0.00 ATOM 184 CA ARG 22 25.324 85.687 13.379 1.00 0.00 ATOM 185 CB ARG 22 26.376 85.424 12.282 1.00 0.00 ATOM 186 CG ARG 22 26.240 84.027 11.693 1.00 0.00 ATOM 187 CD ARG 22 27.320 83.720 10.657 1.00 0.00 ATOM 188 NE ARG 22 27.173 82.318 10.252 1.00 0.00 ATOM 189 CZ ARG 22 26.732 81.886 9.073 1.00 0.00 ATOM 190 NH1 ARG 22 26.461 82.723 8.080 1.00 0.00 ATOM 191 NH2 ARG 22 26.628 80.581 8.896 1.00 0.00 ATOM 192 O ARG 22 26.379 86.716 15.281 1.00 0.00 ATOM 193 C ARG 22 25.741 86.885 14.232 1.00 0.00 ATOM 194 N HIS 23 25.347 88.096 13.817 1.00 0.00 ATOM 195 CA HIS 23 25.712 89.280 14.600 1.00 0.00 ATOM 196 CB HIS 23 25.553 90.541 13.764 1.00 0.00 ATOM 197 CG HIS 23 26.256 91.740 14.330 1.00 0.00 ATOM 198 CD2 HIS 23 26.631 92.063 15.595 1.00 0.00 ATOM 199 ND1 HIS 23 26.683 92.779 13.530 1.00 0.00 ATOM 200 CE1 HIS 23 27.277 93.696 14.279 1.00 0.00 ATOM 201 NE2 HIS 23 27.249 93.293 15.535 1.00 0.00 ATOM 202 O HIS 23 25.389 89.632 16.966 1.00 0.00 ATOM 203 C HIS 23 24.861 89.359 15.874 1.00 0.00 ATOM 204 N LEU 24 23.548 89.081 15.743 1.00 0.00 ATOM 205 CA LEU 24 22.702 89.046 16.955 1.00 0.00 ATOM 206 CB LEU 24 21.252 88.703 16.632 1.00 0.00 ATOM 207 CG LEU 24 20.474 89.913 16.169 1.00 0.00 ATOM 208 CD1 LEU 24 19.103 89.448 15.630 1.00 0.00 ATOM 209 CD2 LEU 24 20.318 90.996 17.281 1.00 0.00 ATOM 210 O LEU 24 23.107 88.330 19.213 1.00 0.00 ATOM 211 C LEU 24 23.182 88.061 18.009 1.00 0.00 ATOM 212 N ASN 25 23.653 86.906 17.556 1.00 0.00 ATOM 213 CA ASN 25 24.117 85.875 18.498 1.00 0.00 ATOM 214 CB ASN 25 24.696 84.672 17.761 1.00 0.00 ATOM 215 CG ASN 25 23.637 83.876 17.009 1.00 0.00 ATOM 216 ND2 ASN 25 24.092 82.997 16.087 1.00 0.00 ATOM 217 OD1 ASN 25 22.422 84.068 17.218 1.00 0.00 ATOM 218 O ASN 25 25.301 86.070 20.584 1.00 0.00 ATOM 219 C ASN 25 25.196 86.459 19.426 1.00 0.00 ATOM 220 N HIS 26 25.985 87.401 18.920 1.00 0.00 ATOM 221 CA HIS 26 27.074 87.992 19.714 1.00 0.00 ATOM 222 CB HIS 26 28.199 88.542 18.817 1.00 0.00 ATOM 223 CG HIS 26 28.920 87.500 18.015 1.00 0.00 ATOM 224 CD2 HIS 26 29.025 87.322 16.675 1.00 0.00 ATOM 225 ND1 HIS 26 29.665 86.502 18.594 1.00 0.00 ATOM 226 CE1 HIS 26 30.160 85.720 17.649 1.00 0.00 ATOM 227 NE2 HIS 26 29.804 86.208 16.475 1.00 0.00 ATOM 228 O HIS 26 27.091 89.272 21.758 1.00 0.00 ATOM 229 C HIS 26 26.596 89.119 20.624 1.00 0.00 ATOM 230 N ILE 27 25.650 89.925 20.156 1.00 0.00 ATOM 231 CA ILE 27 25.329 91.129 20.934 1.00 0.00 ATOM 232 CB ILE 27 25.488 92.408 20.105 1.00 0.00 ATOM 233 CG1 ILE 27 24.428 92.473 19.000 1.00 0.00 ATOM 234 CG2 ILE 27 26.926 92.505 19.546 1.00 0.00 ATOM 235 CD1 ILE 27 24.128 93.895 18.539 1.00 0.00 ATOM 236 O ILE 27 23.585 92.092 22.281 1.00 0.00 ATOM 237 C ILE 27 23.966 91.113 21.626 1.00 0.00 ATOM 238 N SER 28 23.229 90.020 21.450 1.00 0.00 ATOM 239 CA SER 28 21.895 89.907 22.057 1.00 0.00 ATOM 240 CB SER 28 21.347 88.503 21.882 1.00 0.00 ATOM 241 OG SER 28 20.133 88.378 22.623 1.00 0.00 ATOM 242 O SER 28 22.958 89.823 24.244 1.00 0.00 ATOM 243 C SER 28 21.982 90.200 23.559 1.00 0.00 ATOM 244 N VAL 29 20.954 90.879 24.068 1.00 0.00 ATOM 245 CA VAL 29 20.916 91.201 25.494 1.00 0.00 ATOM 246 CB VAL 29 20.377 92.635 25.750 1.00 0.00 ATOM 247 CG1 VAL 29 21.180 93.669 24.968 1.00 0.00 ATOM 248 CG2 VAL 29 18.887 92.740 25.443 1.00 0.00 ATOM 249 O VAL 29 19.960 90.321 27.507 1.00 0.00 ATOM 250 C VAL 29 20.112 90.173 26.286 1.00 0.00 ATOM 251 N VAL 30 19.610 89.144 25.606 1.00 0.00 ATOM 252 CA VAL 30 18.842 88.076 26.295 1.00 0.00 ATOM 253 CB VAL 30 17.413 87.884 25.716 1.00 0.00 ATOM 254 CG1 VAL 30 16.652 89.223 25.725 1.00 0.00 ATOM 255 CG2 VAL 30 17.435 87.336 24.292 1.00 0.00 ATOM 256 O VAL 30 20.407 86.450 25.470 1.00 0.00 ATOM 257 C VAL 30 19.554 86.742 26.324 1.00 0.00 ATOM 258 N GLU 31 19.184 85.932 27.315 1.00 0.00 ATOM 259 CA GLU 31 19.592 84.533 27.390 1.00 0.00 ATOM 260 CB GLU 31 19.987 84.148 28.837 1.00 0.00 ATOM 261 CG GLU 31 21.367 84.635 29.273 1.00 0.00 ATOM 262 CD GLU 31 22.533 83.932 28.576 1.00 0.00 ATOM 263 OE1 GLU 31 22.307 82.991 27.784 1.00 0.00 ATOM 264 OE2 GLU 31 23.681 84.368 28.783 1.00 0.00 ATOM 265 O GLU 31 17.396 83.587 27.626 1.00 0.00 ATOM 266 C GLU 31 18.406 83.704 26.911 1.00 0.00 ATOM 267 N PRO 32 18.483 83.158 25.682 1.00 0.00 ATOM 268 CA PRO 32 17.328 82.360 25.225 1.00 0.00 ATOM 269 CB PRO 32 17.713 81.909 23.811 1.00 0.00 ATOM 270 CG PRO 32 19.090 82.429 23.553 1.00 0.00 ATOM 271 CD PRO 32 19.597 83.210 24.722 1.00 0.00 ATOM 272 O PRO 32 18.052 80.407 26.466 1.00 0.00 ATOM 273 C PRO 32 17.104 81.143 26.130 1.00 0.00 ATOM 274 N ASN 33 15.859 80.944 26.548 1.00 0.00 ATOM 275 CA ASN 33 15.498 79.703 27.211 1.00 0.00 ATOM 276 CB ASN 33 14.327 79.904 28.152 1.00 0.00 ATOM 277 CG ASN 33 14.048 78.672 28.966 1.00 0.00 ATOM 278 ND2 ASN 33 14.942 78.364 29.921 1.00 0.00 ATOM 279 OD1 ASN 33 13.044 77.993 28.738 1.00 0.00 ATOM 280 O ASN 33 15.406 77.450 26.352 1.00 0.00 ATOM 281 C ASN 33 15.126 78.642 26.168 1.00 0.00 ATOM 282 N ILE 34 14.510 79.093 25.079 1.00 0.00 ATOM 283 CA ILE 34 14.083 78.201 24.001 1.00 0.00 ATOM 284 CB ILE 34 12.560 77.924 24.063 1.00 0.00 ATOM 285 CG1 ILE 34 12.186 77.351 25.427 1.00 0.00 ATOM 286 CG2 ILE 34 12.115 76.984 22.924 1.00 0.00 ATOM 287 CD1 ILE 34 10.731 77.443 25.761 1.00 0.00 ATOM 288 O ILE 34 14.051 79.998 22.413 1.00 0.00 ATOM 289 C ILE 34 14.403 78.839 22.665 1.00 0.00 ATOM 290 N LEU 35 15.040 78.066 21.793 1.00 0.00 ATOM 291 CA LEU 35 15.328 78.517 20.425 1.00 0.00 ATOM 292 CB LEU 35 16.789 78.190 20.032 1.00 0.00 ATOM 293 CG LEU 35 17.851 79.024 20.731 1.00 0.00 ATOM 294 CD1 LEU 35 19.255 78.380 20.609 1.00 0.00 ATOM 295 CD2 LEU 35 17.883 80.422 20.111 1.00 0.00 ATOM 296 O LEU 35 14.213 76.589 19.561 1.00 0.00 ATOM 297 C LEU 35 14.371 77.806 19.464 1.00 0.00 ATOM 298 N PHE 36 13.757 78.549 18.541 1.00 0.00 ATOM 299 CA PHE 36 12.955 77.935 17.466 1.00 0.00 ATOM 300 CB PHE 36 11.613 78.666 17.290 1.00 0.00 ATOM 301 CG PHE 36 10.474 78.025 18.037 1.00 0.00 ATOM 302 CD1 PHE 36 10.405 78.094 19.429 1.00 0.00 ATOM 303 CD2 PHE 36 9.413 77.424 17.367 1.00 0.00 ATOM 304 CE1 PHE 36 9.345 77.521 20.142 1.00 0.00 ATOM 305 CE2 PHE 36 8.348 76.836 18.075 1.00 0.00 ATOM 306 CZ PHE 36 8.303 76.889 19.449 1.00 0.00 ATOM 307 O PHE 36 14.103 79.129 15.769 1.00 0.00 ATOM 308 C PHE 36 13.751 78.048 16.184 1.00 0.00 ATOM 309 N ILE 37 14.044 76.906 15.570 1.00 0.00 ATOM 310 CA ILE 37 14.866 76.852 14.382 1.00 0.00 ATOM 311 CB ILE 37 16.185 76.039 14.668 1.00 0.00 ATOM 312 CG1 ILE 37 16.957 76.700 15.805 1.00 0.00 ATOM 313 CG2 ILE 37 17.002 75.819 13.374 1.00 0.00 ATOM 314 CD1 ILE 37 18.256 75.991 16.173 1.00 0.00 ATOM 315 O ILE 37 13.396 75.164 13.536 1.00 0.00 ATOM 316 C ILE 37 14.082 76.163 13.288 1.00 0.00 ATOM 317 N GLY 38 14.195 76.678 12.068 1.00 0.00 ATOM 318 CA GLY 38 13.599 76.000 10.937 1.00 0.00 ATOM 319 O GLY 38 14.204 77.807 9.511 1.00 0.00 ATOM 320 C GLY 38 13.400 76.906 9.756 1.00 0.00 ATOM 321 N ASP 39 12.332 76.632 9.007 1.00 0.00 ATOM 322 CA ASP 39 12.116 77.273 7.720 1.00 0.00 ATOM 323 CB ASP 39 11.695 76.197 6.690 1.00 0.00 ATOM 324 CG ASP 39 10.473 75.399 7.147 1.00 0.00 ATOM 325 OD1 ASP 39 9.651 75.931 7.953 1.00 0.00 ATOM 326 OD2 ASP 39 10.315 74.238 6.699 1.00 0.00 ATOM 327 O ASP 39 11.052 79.095 8.867 1.00 0.00 ATOM 328 C ASP 39 11.130 78.455 7.824 1.00 0.00 ATOM 329 N SER 40 10.387 78.712 6.747 1.00 0.00 ATOM 330 CA SER 40 9.439 79.824 6.697 1.00 0.00 ATOM 331 CB SER 40 8.681 79.807 5.377 1.00 0.00 ATOM 332 OG SER 40 9.594 79.905 4.307 1.00 0.00 ATOM 333 O SER 40 8.117 80.800 8.428 1.00 0.00 ATOM 334 C SER 40 8.441 79.777 7.830 1.00 0.00 ATOM 335 N ILE 41 7.929 78.585 8.120 1.00 0.00 ATOM 336 CA ILE 41 6.892 78.468 9.151 1.00 0.00 ATOM 337 CB ILE 41 6.299 77.056 9.199 1.00 0.00 ATOM 338 CG1 ILE 41 5.607 76.770 7.855 1.00 0.00 ATOM 339 CG2 ILE 41 5.295 76.905 10.368 1.00 0.00 ATOM 340 CD1 ILE 41 5.583 75.236 7.476 1.00 0.00 ATOM 341 O ILE 41 6.711 79.610 11.262 1.00 0.00 ATOM 342 C ILE 41 7.432 78.967 10.504 1.00 0.00 ATOM 343 N VAL 42 8.719 78.726 10.773 1.00 0.00 ATOM 344 CA VAL 42 9.337 79.283 11.966 1.00 0.00 ATOM 345 CB VAL 42 10.648 78.539 12.339 1.00 0.00 ATOM 346 CG1 VAL 42 11.241 79.184 13.563 1.00 0.00 ATOM 347 CG2 VAL 42 10.313 77.078 12.585 1.00 0.00 ATOM 348 O VAL 42 9.264 81.535 12.713 1.00 0.00 ATOM 349 C VAL 42 9.597 80.781 11.800 1.00 0.00 ATOM 350 N GLU 43 10.204 81.222 10.683 1.00 0.00 ATOM 351 CA GLU 43 10.537 82.651 10.582 1.00 0.00 ATOM 352 CB GLU 43 11.079 83.013 9.195 1.00 0.00 ATOM 353 CG GLU 43 11.646 84.423 9.211 1.00 0.00 ATOM 354 CD GLU 43 12.124 84.950 7.883 1.00 0.00 ATOM 355 OE1 GLU 43 12.509 84.158 7.001 1.00 0.00 ATOM 356 OE2 GLU 43 12.130 86.201 7.747 1.00 0.00 ATOM 357 O GLU 43 9.417 84.578 11.491 1.00 0.00 ATOM 358 C GLU 43 9.320 83.514 10.832 1.00 0.00 ATOM 359 N TYR 44 8.188 83.073 10.296 1.00 0.00 ATOM 360 CA TYR 44 6.993 83.909 10.333 1.00 0.00 ATOM 361 CB TYR 44 6.134 83.664 9.085 1.00 0.00 ATOM 362 CG TYR 44 6.823 83.756 7.752 1.00 0.00 ATOM 363 CD1 TYR 44 7.876 84.622 7.538 1.00 0.00 ATOM 364 CD2 TYR 44 6.336 83.019 6.677 1.00 0.00 ATOM 365 CE1 TYR 44 8.495 84.700 6.242 1.00 0.00 ATOM 366 CE2 TYR 44 6.917 83.101 5.418 1.00 0.00 ATOM 367 CZ TYR 44 8.001 83.926 5.230 1.00 0.00 ATOM 368 OH TYR 44 8.578 84.006 3.963 1.00 0.00 ATOM 369 O TYR 44 5.016 84.255 11.700 1.00 0.00 ATOM 370 C TYR 44 6.111 83.657 11.563 1.00 0.00 ATOM 371 N TYR 45 6.548 82.774 12.441 1.00 0.00 ATOM 372 CA TYR 45 5.760 82.395 13.628 1.00 0.00 ATOM 373 CB TYR 45 6.476 81.242 14.309 1.00 0.00 ATOM 374 CG TYR 45 5.629 80.322 15.173 1.00 0.00 ATOM 375 CD1 TYR 45 5.803 78.939 15.093 1.00 0.00 ATOM 376 CD2 TYR 45 4.683 80.816 16.095 1.00 0.00 ATOM 377 CE1 TYR 45 5.069 78.071 15.894 1.00 0.00 ATOM 378 CE2 TYR 45 3.901 79.946 16.890 1.00 0.00 ATOM 379 CZ TYR 45 4.103 78.568 16.779 1.00 0.00 ATOM 380 OH TYR 45 3.375 77.663 17.541 1.00 0.00 ATOM 381 O TYR 45 6.771 84.051 15.038 1.00 0.00 ATOM 382 C TYR 45 5.718 83.548 14.625 1.00 0.00 ATOM 383 N PRO 46 4.514 84.009 14.996 1.00 0.00 ATOM 384 CA PRO 46 4.370 85.059 16.015 1.00 0.00 ATOM 385 CB PRO 46 2.946 85.613 15.799 1.00 0.00 ATOM 386 CG PRO 46 2.206 84.563 15.052 1.00 0.00 ATOM 387 CD PRO 46 3.227 83.628 14.387 1.00 0.00 ATOM 388 O PRO 46 3.584 84.348 18.206 1.00 0.00 ATOM 389 C PRO 46 4.538 84.495 17.422 1.00 0.00 ATOM 390 N LEU 47 5.797 84.139 17.730 1.00 0.00 ATOM 391 CA LEU 47 6.114 83.474 19.009 1.00 0.00 ATOM 392 CB LEU 47 7.617 83.150 19.093 1.00 0.00 ATOM 393 CG LEU 47 8.093 82.179 18.010 1.00 0.00 ATOM 394 CD1 LEU 47 9.637 82.135 17.994 1.00 0.00 ATOM 395 CD2 LEU 47 7.525 80.794 18.229 1.00 0.00 ATOM 396 O LEU 47 5.078 83.760 21.143 1.00 0.00 ATOM 397 C LEU 47 5.717 84.290 20.233 1.00 0.00 ATOM 398 N GLN 48 6.074 85.571 20.232 1.00 0.00 ATOM 399 CA GLN 48 5.779 86.413 21.391 1.00 0.00 ATOM 400 CB GLN 48 6.261 87.837 21.141 1.00 0.00 ATOM 401 CG GLN 48 6.045 88.803 22.297 1.00 0.00 ATOM 402 CD GLN 48 6.120 90.228 21.793 1.00 0.00 ATOM 403 OE1 GLN 48 5.557 90.554 20.745 1.00 0.00 ATOM 404 NE2 GLN 48 6.834 91.080 22.514 1.00 0.00 ATOM 405 O GLN 48 3.820 86.329 22.783 1.00 0.00 ATOM 406 C GLN 48 4.277 86.478 21.655 1.00 0.00 ATOM 407 N GLU 49 3.529 86.808 20.614 1.00 0.00 ATOM 408 CA GLU 49 2.102 87.083 20.826 1.00 0.00 ATOM 409 CB GLU 49 1.541 87.979 19.691 1.00 0.00 ATOM 410 CG GLU 49 2.185 89.357 19.669 1.00 0.00 ATOM 411 CD GLU 49 1.544 90.276 18.635 1.00 0.00 ATOM 412 OE1 GLU 49 0.483 90.881 18.948 1.00 0.00 ATOM 413 OE2 GLU 49 2.077 90.309 17.493 1.00 0.00 ATOM 414 O GLU 49 0.177 85.888 21.579 1.00 0.00 ATOM 415 C GLU 49 1.270 85.814 21.023 1.00 0.00 ATOM 416 N LEU 50 1.805 84.662 20.610 1.00 0.00 ATOM 417 CA LEU 50 1.039 83.420 20.828 1.00 0.00 ATOM 418 CB LEU 50 0.967 82.562 19.561 1.00 0.00 ATOM 419 CG LEU 50 0.243 83.266 18.413 1.00 0.00 ATOM 420 CD1 LEU 50 0.283 82.382 17.171 1.00 0.00 ATOM 421 CD2 LEU 50 -1.222 83.601 18.737 1.00 0.00 ATOM 422 O LEU 50 0.574 81.842 22.561 1.00 0.00 ATOM 423 C LEU 50 1.450 82.570 22.019 1.00 0.00 ATOM 424 N PHE 51 2.759 82.601 22.377 1.00 0.00 ATOM 425 CA PHE 51 3.253 81.863 23.551 1.00 0.00 ATOM 426 CB PHE 51 4.568 81.172 23.238 1.00 0.00 ATOM 427 CG PHE 51 4.438 79.974 22.348 1.00 0.00 ATOM 428 CD1 PHE 51 3.608 78.906 22.703 1.00 0.00 ATOM 429 CD2 PHE 51 5.161 79.906 21.154 1.00 0.00 ATOM 430 CE1 PHE 51 3.514 77.762 21.887 1.00 0.00 ATOM 431 CE2 PHE 51 5.054 78.783 20.318 1.00 0.00 ATOM 432 CZ PHE 51 4.236 77.702 20.699 1.00 0.00 ATOM 433 O PHE 51 3.547 82.247 25.923 1.00 0.00 ATOM 434 C PHE 51 3.452 82.748 24.783 1.00 0.00 ATOM 435 N GLY 52 3.580 84.057 24.571 1.00 0.00 ATOM 436 CA GLY 52 3.871 84.946 25.683 1.00 0.00 ATOM 437 O GLY 52 6.143 84.261 25.312 1.00 0.00 ATOM 438 C GLY 52 5.347 84.884 26.031 1.00 0.00 ATOM 439 N THR 53 5.721 85.538 27.135 1.00 0.00 ATOM 440 CA THR 53 7.131 85.767 27.400 1.00 0.00 ATOM 441 CB THR 53 7.494 87.255 27.250 1.00 0.00 ATOM 442 CG2 THR 53 7.104 87.764 25.845 1.00 0.00 ATOM 443 OG1 THR 53 6.777 88.010 28.223 1.00 0.00 ATOM 444 O THR 53 8.614 85.615 29.282 1.00 0.00 ATOM 445 C THR 53 7.549 85.243 28.773 1.00 0.00 ATOM 446 N SER 54 6.756 84.332 29.343 1.00 0.00 ATOM 447 CA SER 54 7.155 83.731 30.631 1.00 0.00 ATOM 448 CB SER 54 6.112 82.734 31.142 1.00 0.00 ATOM 449 OG SER 54 6.043 81.578 30.333 1.00 0.00 ATOM 450 O SER 54 9.325 83.052 31.417 1.00 0.00 ATOM 451 C SER 54 8.531 83.057 30.483 1.00 0.00 ATOM 452 N LYS 55 8.797 82.513 29.290 1.00 0.00 ATOM 453 CA LYS 55 10.115 81.964 28.939 1.00 0.00 ATOM 454 CB LYS 55 10.016 80.480 28.594 1.00 0.00 ATOM 455 CG LYS 55 9.629 79.600 29.762 1.00 0.00 ATOM 456 CD LYS 55 9.756 78.154 29.333 1.00 0.00 ATOM 457 CE LYS 55 9.480 77.194 30.465 1.00 0.00 ATOM 458 NZ LYS 55 9.659 75.806 29.969 1.00 0.00 ATOM 459 O LYS 55 9.807 83.084 26.890 1.00 0.00 ATOM 460 C LYS 55 10.611 82.711 27.732 1.00 0.00 ATOM 461 N THR 56 11.923 82.917 27.640 1.00 0.00 ATOM 462 CA THR 56 12.470 83.710 26.537 1.00 0.00 ATOM 463 CB THR 56 13.802 84.347 26.936 1.00 0.00 ATOM 464 CG2 THR 56 14.370 85.203 25.781 1.00 0.00 ATOM 465 OG1 THR 56 13.587 85.159 28.104 1.00 0.00 ATOM 466 O THR 56 13.560 81.926 25.340 1.00 0.00 ATOM 467 C THR 56 12.671 82.790 25.338 1.00 0.00 ATOM 468 N ILE 57 11.819 82.983 24.338 1.00 0.00 ATOM 469 CA ILE 57 11.815 82.153 23.123 1.00 0.00 ATOM 470 CB ILE 57 10.382 81.657 22.754 1.00 0.00 ATOM 471 CG1 ILE 57 9.706 80.985 23.961 1.00 0.00 ATOM 472 CG2 ILE 57 10.434 80.716 21.509 1.00 0.00 ATOM 473 CD1 ILE 57 8.266 80.599 23.642 1.00 0.00 ATOM 474 O ILE 57 11.815 84.089 21.703 1.00 0.00 ATOM 475 C ILE 57 12.348 83.017 21.986 1.00 0.00 ATOM 476 N VAL 58 13.398 82.523 21.334 1.00 0.00 ATOM 477 CA VAL 58 14.061 83.307 20.292 1.00 0.00 ATOM 478 CB VAL 58 15.554 83.535 20.630 1.00 0.00 ATOM 479 CG1 VAL 58 16.286 84.216 19.482 1.00 0.00 ATOM 480 CG2 VAL 58 15.669 84.382 21.924 1.00 0.00 ATOM 481 O VAL 58 14.087 81.409 18.806 1.00 0.00 ATOM 482 C VAL 58 13.894 82.629 18.937 1.00 0.00 ATOM 483 N ASN 59 13.593 83.456 17.940 1.00 0.00 ATOM 484 CA ASN 59 13.358 82.989 16.568 1.00 0.00 ATOM 485 CB ASN 59 12.413 83.960 15.883 1.00 0.00 ATOM 486 CG ASN 59 11.752 83.366 14.642 1.00 0.00 ATOM 487 ND2 ASN 59 10.425 83.534 14.521 1.00 0.00 ATOM 488 OD1 ASN 59 12.406 82.721 13.837 1.00 0.00 ATOM 489 O ASN 59 15.408 83.942 15.672 1.00 0.00 ATOM 490 C ASN 59 14.679 82.931 15.794 1.00 0.00 ATOM 491 N ARG 60 14.973 81.738 15.277 1.00 0.00 ATOM 492 CA ARG 60 16.107 81.541 14.369 1.00 0.00 ATOM 493 CB ARG 60 17.295 80.834 15.063 1.00 0.00 ATOM 494 CG ARG 60 18.045 81.779 16.046 1.00 0.00 ATOM 495 CD ARG 60 18.841 82.812 15.226 1.00 0.00 ATOM 496 NE ARG 60 19.664 83.730 16.020 1.00 0.00 ATOM 497 CZ ARG 60 19.199 84.828 16.610 1.00 0.00 ATOM 498 NH1 ARG 60 17.895 85.148 16.547 1.00 0.00 ATOM 499 NH2 ARG 60 20.049 85.601 17.304 1.00 0.00 ATOM 500 O ARG 60 16.281 79.870 12.642 1.00 0.00 ATOM 501 C ARG 60 15.609 80.763 13.126 1.00 0.00 ATOM 502 N GLY 61 14.428 81.115 12.633 1.00 0.00 ATOM 503 CA GLY 61 13.950 80.516 11.401 1.00 0.00 ATOM 504 O GLY 61 14.599 82.530 10.263 1.00 0.00 ATOM 505 C GLY 61 14.350 81.323 10.174 1.00 0.00 ATOM 506 N ILE 62 14.398 80.647 9.023 1.00 0.00 ATOM 507 CA ILE 62 14.728 81.335 7.757 1.00 0.00 ATOM 508 CB ILE 62 16.199 81.169 7.403 1.00 0.00 ATOM 509 CG1 ILE 62 17.043 81.806 8.504 1.00 0.00 ATOM 510 CG2 ILE 62 16.506 81.761 6.019 1.00 0.00 ATOM 511 CD1 ILE 62 18.567 81.865 8.187 1.00 0.00 ATOM 512 O ILE 62 13.843 79.545 6.398 1.00 0.00 ATOM 513 C ILE 62 13.880 80.770 6.624 1.00 0.00 ATOM 514 N ARG 63 13.207 81.691 5.933 1.00 0.00 ATOM 515 CA ARG 63 12.377 81.310 4.794 1.00 0.00 ATOM 516 CB ARG 63 11.815 82.560 4.122 1.00 0.00 ATOM 517 CG ARG 63 12.921 83.185 3.292 1.00 0.00 ATOM 518 CD ARG 63 12.814 84.619 3.056 1.00 0.00 ATOM 519 NE ARG 63 12.683 85.408 4.272 1.00 0.00 ATOM 520 CZ ARG 63 12.530 86.719 4.231 1.00 0.00 ATOM 521 NH1 ARG 63 12.549 87.341 3.050 1.00 0.00 ATOM 522 NH2 ARG 63 12.398 87.409 5.334 1.00 0.00 ATOM 523 O ARG 63 14.349 80.607 3.490 1.00 0.00 ATOM 524 C ARG 63 13.148 80.421 3.770 1.00 0.00 ATOM 525 N GLY 64 12.437 79.431 3.229 1.00 0.00 ATOM 526 CA GLY 64 12.974 78.563 2.215 1.00 0.00 ATOM 527 O GLY 64 14.622 76.890 1.835 1.00 0.00 ATOM 528 C GLY 64 14.021 77.572 2.658 1.00 0.00 ATOM 529 N TYR 65 14.211 77.451 3.975 1.00 0.00 ATOM 530 CA TYR 65 15.307 76.613 4.478 1.00 0.00 ATOM 531 CB TYR 65 15.522 76.839 5.971 1.00 0.00 ATOM 532 CG TYR 65 16.921 77.292 6.377 1.00 0.00 ATOM 533 CD1 TYR 65 17.692 78.111 5.559 1.00 0.00 ATOM 534 CD2 TYR 65 17.389 77.032 7.673 1.00 0.00 ATOM 535 CE1 TYR 65 18.946 78.572 5.987 1.00 0.00 ATOM 536 CE2 TYR 65 18.618 77.497 8.114 1.00 0.00 ATOM 537 CZ TYR 65 19.386 78.279 7.268 1.00 0.00 ATOM 538 OH TYR 65 20.594 78.777 7.727 1.00 0.00 ATOM 539 O TYR 65 13.910 74.649 4.198 1.00 0.00 ATOM 540 C TYR 65 15.056 75.128 4.252 1.00 0.00 ATOM 541 N GLN 66 16.164 74.417 4.138 1.00 0.00 ATOM 542 CA GLN 66 16.183 72.968 3.951 1.00 0.00 ATOM 543 CB GLN 66 16.621 72.587 2.544 1.00 0.00 ATOM 544 CG GLN 66 15.740 73.060 1.442 1.00 0.00 ATOM 545 CD GLN 66 16.311 72.680 0.073 1.00 0.00 ATOM 546 OE1 GLN 66 16.708 71.531 -0.146 1.00 0.00 ATOM 547 NE2 GLN 66 16.398 73.658 -0.833 1.00 0.00 ATOM 548 O GLN 66 18.069 73.132 5.416 1.00 0.00 ATOM 549 C GLN 66 17.213 72.412 4.913 1.00 0.00 ATOM 550 N THR 67 17.106 71.120 5.175 1.00 0.00 ATOM 551 CA THR 67 18.013 70.503 6.155 1.00 0.00 ATOM 552 CB THR 67 17.792 68.973 6.323 1.00 0.00 ATOM 553 CG2 THR 67 16.309 68.659 6.795 1.00 0.00 ATOM 554 OG1 THR 67 18.037 68.318 5.064 1.00 0.00 ATOM 555 O THR 67 20.276 70.975 6.760 1.00 0.00 ATOM 556 C THR 67 19.492 70.743 5.846 1.00 0.00 ATOM 557 N GLY 68 19.871 70.706 4.566 1.00 0.00 ATOM 558 CA GLY 68 21.281 70.897 4.200 1.00 0.00 ATOM 559 O GLY 68 22.929 72.495 4.923 1.00 0.00 ATOM 560 C GLY 68 21.778 72.296 4.478 1.00 0.00 ATOM 561 N LEU 69 20.927 73.277 4.201 1.00 0.00 ATOM 562 CA LEU 69 21.306 74.679 4.428 1.00 0.00 ATOM 563 CB LEU 69 20.243 75.608 3.854 1.00 0.00 ATOM 564 CG LEU 69 19.986 75.467 2.359 1.00 0.00 ATOM 565 CD1 LEU 69 18.799 76.306 1.920 1.00 0.00 ATOM 566 CD2 LEU 69 21.246 75.869 1.611 1.00 0.00 ATOM 567 O LEU 69 22.352 75.668 6.385 1.00 0.00 ATOM 568 C LEU 69 21.443 74.941 5.933 1.00 0.00 ATOM 569 N LEU 70 20.553 74.325 6.707 1.00 0.00 ATOM 570 CA LEU 70 20.603 74.483 8.138 1.00 0.00 ATOM 571 CB LEU 70 19.352 73.885 8.807 1.00 0.00 ATOM 572 CG LEU 70 19.397 73.800 10.335 1.00 0.00 ATOM 573 CD1 LEU 70 19.588 75.185 10.973 1.00 0.00 ATOM 574 CD2 LEU 70 18.118 73.149 10.853 1.00 0.00 ATOM 575 O LEU 70 22.549 74.505 9.527 1.00 0.00 ATOM 576 C LEU 70 21.880 73.892 8.710 1.00 0.00 ATOM 577 N LEU 71 22.231 72.706 8.237 1.00 0.00 ATOM 578 CA LEU 71 23.414 72.033 8.766 1.00 0.00 ATOM 579 CB LEU 71 23.529 70.614 8.206 1.00 0.00 ATOM 580 CG LEU 71 24.862 69.907 8.493 1.00 0.00 ATOM 581 CD1 LEU 71 25.064 69.721 10.002 1.00 0.00 ATOM 582 CD2 LEU 71 24.795 68.584 7.795 1.00 0.00 ATOM 583 O LEU 71 25.535 73.098 9.291 1.00 0.00 ATOM 584 C LEU 71 24.673 72.856 8.431 1.00 0.00 ATOM 585 N GLU 72 24.769 73.298 7.182 1.00 0.00 ATOM 586 CA GLU 72 25.939 74.099 6.758 1.00 0.00 ATOM 587 CB GLU 72 25.831 74.459 5.272 1.00 0.00 ATOM 588 CG GLU 72 25.867 73.291 4.320 1.00 0.00 ATOM 589 CD GLU 72 25.683 73.726 2.857 1.00 0.00 ATOM 590 OE1 GLU 72 26.662 74.257 2.265 1.00 0.00 ATOM 591 OE2 GLU 72 24.550 73.560 2.316 1.00 0.00 ATOM 592 O GLU 72 27.231 75.914 7.668 1.00 0.00 ATOM 593 C GLU 72 26.117 75.401 7.545 1.00 0.00 ATOM 594 N ASN 73 25.001 75.952 8.011 1.00 0.00 ATOM 595 CA ASN 73 24.982 77.269 8.667 1.00 0.00 ATOM 596 CB ASN 73 24.099 78.245 7.890 1.00 0.00 ATOM 597 CG ASN 73 24.651 78.550 6.516 1.00 0.00 ATOM 598 ND2 ASN 73 24.205 77.797 5.509 1.00 0.00 ATOM 599 OD1 ASN 73 25.523 79.403 6.361 1.00 0.00 ATOM 600 O ASN 73 23.989 78.170 10.633 1.00 0.00 ATOM 601 C ASN 73 24.462 77.182 10.093 1.00 0.00 ATOM 602 N LEU 74 24.645 76.024 10.725 1.00 0.00 ATOM 603 CA LEU 74 24.058 75.762 12.024 1.00 0.00 ATOM 604 CB LEU 74 24.371 74.328 12.442 1.00 0.00 ATOM 605 CG LEU 74 23.724 73.857 13.742 1.00 0.00 ATOM 606 CD1 LEU 74 22.200 73.930 13.712 1.00 0.00 ATOM 607 CD2 LEU 74 24.186 72.433 14.030 1.00 0.00 ATOM 608 O LEU 74 23.673 77.167 13.935 1.00 0.00 ATOM 609 C LEU 74 24.491 76.777 13.090 1.00 0.00 ATOM 610 N ASP 75 25.727 77.283 12.996 1.00 0.00 ATOM 611 CA ASP 75 26.225 78.259 13.951 1.00 0.00 ATOM 612 CB ASP 75 27.664 78.611 13.550 1.00 0.00 ATOM 613 CG ASP 75 27.719 79.415 12.273 1.00 0.00 ATOM 614 OD1 ASP 75 27.447 78.843 11.193 1.00 0.00 ATOM 615 OD2 ASP 75 28.004 80.624 12.353 1.00 0.00 ATOM 616 O ASP 75 25.362 80.235 15.058 1.00 0.00 ATOM 617 C ASP 75 25.385 79.539 14.020 1.00 0.00 ATOM 618 N ALA 76 24.710 79.865 12.922 1.00 0.00 ATOM 619 CA ALA 76 23.890 81.092 12.882 1.00 0.00 ATOM 620 CB ALA 76 23.475 81.436 11.445 1.00 0.00 ATOM 621 O ALA 76 22.020 81.960 14.128 1.00 0.00 ATOM 622 C ALA 76 22.648 80.948 13.770 1.00 0.00 ATOM 623 N HIS 77 22.326 79.705 14.117 1.00 0.00 ATOM 624 CA HIS 77 21.019 79.414 14.730 1.00 0.00 ATOM 625 CB HIS 77 20.328 78.279 13.960 1.00 0.00 ATOM 626 CG HIS 77 20.121 78.614 12.526 1.00 0.00 ATOM 627 CD2 HIS 77 20.959 78.504 11.464 1.00 0.00 ATOM 628 ND1 HIS 77 18.972 79.230 12.066 1.00 0.00 ATOM 629 CE1 HIS 77 19.100 79.449 10.766 1.00 0.00 ATOM 630 NE2 HIS 77 20.302 79.041 10.383 1.00 0.00 ATOM 631 O HIS 77 20.030 78.900 16.839 1.00 0.00 ATOM 632 C HIS 77 21.060 79.114 16.218 1.00 0.00 ATOM 633 N LEU 78 22.261 79.066 16.769 1.00 0.00 ATOM 634 CA LEU 78 22.453 78.626 18.151 1.00 0.00 ATOM 635 CB LEU 78 23.257 77.325 18.165 1.00 0.00 ATOM 636 CG LEU 78 22.689 76.125 17.410 1.00 0.00 ATOM 637 CD1 LEU 78 23.677 74.977 17.370 1.00 0.00 ATOM 638 CD2 LEU 78 21.418 75.652 18.044 1.00 0.00 ATOM 639 O LEU 78 24.332 80.054 18.528 1.00 0.00 ATOM 640 C LEU 78 23.236 79.656 18.942 1.00 0.00 ATOM 641 N TYR 79 22.703 80.077 20.092 1.00 0.00 ATOM 642 CA TYR 79 23.522 80.827 21.061 1.00 0.00 ATOM 643 CB TYR 79 23.704 82.288 20.624 1.00 0.00 ATOM 644 CG TYR 79 22.534 83.227 20.929 1.00 0.00 ATOM 645 CD1 TYR 79 22.550 84.032 22.073 1.00 0.00 ATOM 646 CD2 TYR 79 21.435 83.314 20.066 1.00 0.00 ATOM 647 CE1 TYR 79 21.491 84.932 22.334 1.00 0.00 ATOM 648 CE2 TYR 79 20.358 84.195 20.332 1.00 0.00 ATOM 649 CZ TYR 79 20.400 85.004 21.465 1.00 0.00 ATOM 650 OH TYR 79 19.384 85.909 21.754 1.00 0.00 ATOM 651 O TYR 79 21.769 80.320 22.578 1.00 0.00 ATOM 652 C TYR 79 22.908 80.747 22.449 1.00 0.00 ATOM 653 N GLY 80 23.658 81.181 23.466 1.00 0.00 ATOM 654 CA GLY 80 23.119 81.278 24.841 1.00 0.00 ATOM 655 O GLY 80 24.366 79.317 25.407 1.00 0.00 ATOM 656 C GLY 80 23.836 80.353 25.805 1.00 0.00 ATOM 657 N GLY 81 23.888 80.757 27.076 1.00 0.00 ATOM 658 CA GLY 81 24.525 79.954 28.118 1.00 0.00 ATOM 659 O GLY 81 24.004 78.376 29.852 1.00 0.00 ATOM 660 C GLY 81 23.564 79.112 28.947 1.00 0.00 ATOM 661 N ALA 82 22.262 79.215 28.670 1.00 0.00 ATOM 662 CA ALA 82 21.261 78.487 29.455 1.00 0.00 ATOM 663 CB ALA 82 20.846 79.308 30.656 1.00 0.00 ATOM 664 O ALA 82 18.898 78.500 28.934 1.00 0.00 ATOM 665 C ALA 82 20.038 78.107 28.622 1.00 0.00 ATOM 666 N VAL 83 20.291 77.353 27.560 1.00 0.00 ATOM 667 CA VAL 83 19.211 76.984 26.604 1.00 0.00 ATOM 668 CB VAL 83 19.739 76.805 25.163 1.00 0.00 ATOM 669 CG1 VAL 83 18.597 76.509 24.230 1.00 0.00 ATOM 670 CG2 VAL 83 20.484 78.056 24.701 1.00 0.00 ATOM 671 O VAL 83 19.240 74.647 27.117 1.00 0.00 ATOM 672 C VAL 83 18.572 75.682 27.075 1.00 0.00 ATOM 673 N ASP 84 17.288 75.757 27.427 1.00 0.00 ATOM 674 CA ASP 84 16.568 74.577 27.949 1.00 0.00 ATOM 675 CB ASP 84 15.354 75.005 28.766 1.00 0.00 ATOM 676 CG ASP 84 14.619 73.803 29.380 1.00 0.00 ATOM 677 OD1 ASP 84 15.290 72.799 29.670 1.00 0.00 ATOM 678 OD2 ASP 84 13.392 73.883 29.554 1.00 0.00 ATOM 679 O ASP 84 16.260 72.458 26.842 1.00 0.00 ATOM 680 C ASP 84 16.118 73.680 26.778 1.00 0.00 ATOM 681 N LYS 85 15.581 74.294 25.725 1.00 0.00 ATOM 682 CA LYS 85 15.013 73.519 24.612 1.00 0.00 ATOM 683 CB LYS 85 13.489 73.357 24.766 1.00 0.00 ATOM 684 CG LYS 85 13.067 72.811 26.140 1.00 0.00 ATOM 685 CD LYS 85 11.556 72.565 26.152 1.00 0.00 ATOM 686 CE LYS 85 11.091 71.889 27.441 1.00 0.00 ATOM 687 NZ LYS 85 10.993 72.880 28.513 1.00 0.00 ATOM 688 O LYS 85 15.327 75.408 23.161 1.00 0.00 ATOM 689 C LYS 85 15.281 74.175 23.279 1.00 0.00 ATOM 690 N ILE 86 15.404 73.328 22.272 1.00 0.00 ATOM 691 CA ILE 86 15.401 73.762 20.862 1.00 0.00 ATOM 692 CB ILE 86 16.767 73.400 20.216 1.00 0.00 ATOM 693 CG1 ILE 86 17.891 74.205 20.872 1.00 0.00 ATOM 694 CG2 ILE 86 16.748 73.599 18.710 1.00 0.00 ATOM 695 CD1 ILE 86 19.302 73.683 20.535 1.00 0.00 ATOM 696 O ILE 86 14.138 71.850 20.174 1.00 0.00 ATOM 697 C ILE 86 14.257 73.079 20.107 1.00 0.00 ATOM 698 N PHE 87 13.410 73.872 19.445 1.00 0.00 ATOM 699 CA PHE 87 12.342 73.333 18.619 1.00 0.00 ATOM 700 CB PHE 87 11.034 74.111 18.831 1.00 0.00 ATOM 701 CG PHE 87 10.315 73.744 20.088 1.00 0.00 ATOM 702 CD1 PHE 87 9.129 73.028 20.042 1.00 0.00 ATOM 703 CD2 PHE 87 10.846 74.088 21.339 1.00 0.00 ATOM 704 CE1 PHE 87 8.455 72.668 21.197 1.00 0.00 ATOM 705 CE2 PHE 87 10.174 73.721 22.518 1.00 0.00 ATOM 706 CZ PHE 87 8.991 73.001 22.442 1.00 0.00 ATOM 707 O PHE 87 13.207 74.529 16.735 1.00 0.00 ATOM 708 C PHE 87 12.784 73.445 17.179 1.00 0.00 ATOM 709 N LEU 88 12.693 72.342 16.458 1.00 0.00 ATOM 710 CA LEU 88 13.135 72.265 15.082 1.00 0.00 ATOM 711 CB LEU 88 14.273 71.255 15.018 1.00 0.00 ATOM 712 CG LEU 88 14.868 71.048 13.642 1.00 0.00 ATOM 713 CD1 LEU 88 15.316 72.367 13.005 1.00 0.00 ATOM 714 CD2 LEU 88 16.064 70.073 13.778 1.00 0.00 ATOM 715 O LEU 88 11.406 70.738 14.318 1.00 0.00 ATOM 716 C LEU 88 11.980 71.843 14.164 1.00 0.00 ATOM 717 N LEU 89 11.633 72.734 13.223 1.00 0.00 ATOM 718 CA LEU 89 10.617 72.458 12.218 1.00 0.00 ATOM 719 CB LEU 89 9.339 73.330 12.403 1.00 0.00 ATOM 720 CG LEU 89 8.258 73.088 11.326 1.00 0.00 ATOM 721 CD1 LEU 89 7.785 71.570 11.202 1.00 0.00 ATOM 722 CD2 LEU 89 7.075 74.014 11.575 1.00 0.00 ATOM 723 O LEU 89 11.430 73.820 10.408 1.00 0.00 ATOM 724 C LEU 89 11.236 72.689 10.850 1.00 0.00 ATOM 725 N ILE 90 11.499 71.588 10.153 1.00 0.00 ATOM 726 CA ILE 90 12.171 71.671 8.865 1.00 0.00 ATOM 727 CB ILE 90 13.688 71.907 9.102 1.00 0.00 ATOM 728 CG1 ILE 90 14.392 72.467 7.827 1.00 0.00 ATOM 729 CG2 ILE 90 14.342 70.671 9.714 1.00 0.00 ATOM 730 CD1 ILE 90 15.619 73.279 8.080 1.00 0.00 ATOM 731 O ILE 90 11.732 69.336 8.665 1.00 0.00 ATOM 732 C ILE 90 11.968 70.391 8.076 1.00 0.00 ATOM 733 N GLY 91 12.038 70.500 6.750 1.00 0.00 ATOM 734 CA GLY 91 11.900 69.336 5.858 1.00 0.00 ATOM 735 O GLY 91 11.058 68.971 3.677 1.00 0.00 ATOM 736 C GLY 91 10.903 69.551 4.743 1.00 0.00 ATOM 737 N THR 92 9.879 70.378 4.962 1.00 0.00 ATOM 738 CA THR 92 8.906 70.559 3.875 1.00 0.00 ATOM 739 CB THR 92 7.751 71.427 4.315 1.00 0.00 ATOM 740 CG2 THR 92 8.141 72.915 4.321 1.00 0.00 ATOM 741 OG1 THR 92 6.633 71.211 3.439 1.00 0.00 ATOM 742 O THR 92 9.076 70.773 1.481 1.00 0.00 ATOM 743 C THR 92 9.544 71.085 2.580 1.00 0.00 ATOM 744 N ASN 93 10.635 71.856 2.701 1.00 0.00 ATOM 745 CA ASN 93 11.305 72.351 1.483 1.00 0.00 ATOM 746 CB ASN 93 11.984 73.693 1.739 1.00 0.00 ATOM 747 CG ASN 93 10.981 74.737 2.116 1.00 0.00 ATOM 748 ND2 ASN 93 11.361 75.619 3.035 1.00 0.00 ATOM 749 OD1 ASN 93 9.858 74.766 1.590 1.00 0.00 ATOM 750 O ASN 93 12.498 71.357 -0.326 1.00 0.00 ATOM 751 C ASN 93 12.260 71.342 0.881 1.00 0.00 ATOM 752 N ASP 94 12.739 70.422 1.719 1.00 0.00 ATOM 753 CA ASP 94 13.473 69.285 1.192 1.00 0.00 ATOM 754 CB ASP 94 14.012 68.419 2.340 1.00 0.00 ATOM 755 CG ASP 94 15.111 69.115 3.169 1.00 0.00 ATOM 756 OD1 ASP 94 16.284 68.686 3.061 1.00 0.00 ATOM 757 OD2 ASP 94 14.800 70.058 3.946 1.00 0.00 ATOM 758 O ASP 94 12.933 68.056 -0.808 1.00 0.00 ATOM 759 C ASP 94 12.558 68.450 0.310 1.00 0.00 ATOM 760 N ILE 95 11.355 68.163 0.814 1.00 0.00 ATOM 761 CA ILE 95 10.341 67.456 0.009 1.00 0.00 ATOM 762 CB ILE 95 9.067 67.198 0.845 1.00 0.00 ATOM 763 CG1 ILE 95 9.394 66.205 1.973 1.00 0.00 ATOM 764 CG2 ILE 95 7.925 66.711 -0.045 1.00 0.00 ATOM 765 CD1 ILE 95 8.240 65.953 2.962 1.00 0.00 ATOM 766 O ILE 95 9.962 67.709 -2.362 1.00 0.00 ATOM 767 C ILE 95 10.014 68.252 -1.266 1.00 0.00 ATOM 768 N GLY 96 9.842 69.557 -1.114 1.00 0.00 ATOM 769 CA GLY 96 9.511 70.413 -2.267 1.00 0.00 ATOM 770 O GLY 96 10.263 70.708 -4.515 1.00 0.00 ATOM 771 C GLY 96 10.573 70.466 -3.343 1.00 0.00 ATOM 772 N LYS 97 11.819 70.220 -2.955 1.00 0.00 ATOM 773 CA LYS 97 12.942 70.203 -3.894 1.00 0.00 ATOM 774 CB LYS 97 14.153 70.932 -3.297 1.00 0.00 ATOM 775 CG LYS 97 13.983 72.438 -3.145 1.00 0.00 ATOM 776 CD LYS 97 14.080 73.129 -4.496 1.00 0.00 ATOM 777 CE LYS 97 14.008 74.637 -4.366 1.00 0.00 ATOM 778 NZ LYS 97 13.805 75.236 -5.716 1.00 0.00 ATOM 779 O LYS 97 14.378 68.597 -4.934 1.00 0.00 ATOM 780 C LYS 97 13.363 68.786 -4.260 1.00 0.00 ATOM 781 N ASP 98 12.605 67.795 -3.815 1.00 0.00 ATOM 782 CA ASP 98 12.867 66.391 -4.171 1.00 0.00 ATOM 783 CB ASP 98 12.729 66.168 -5.696 1.00 0.00 ATOM 784 CG ASP 98 12.176 64.785 -6.047 1.00 0.00 ATOM 785 OD1 ASP 98 11.573 64.108 -5.175 1.00 0.00 ATOM 786 OD2 ASP 98 12.360 64.368 -7.218 1.00 0.00 ATOM 787 O ASP 98 14.928 65.093 -4.286 1.00 0.00 ATOM 788 C ASP 98 14.229 65.897 -3.642 1.00 0.00 ATOM 789 N VAL 99 14.620 66.379 -2.465 1.00 0.00 ATOM 790 CA VAL 99 15.824 65.869 -1.804 1.00 0.00 ATOM 791 CB VAL 99 16.176 66.767 -0.594 1.00 0.00 ATOM 792 CG1 VAL 99 17.254 66.150 0.332 1.00 0.00 ATOM 793 CG2 VAL 99 16.554 68.170 -1.077 1.00 0.00 ATOM 794 O VAL 99 14.458 64.205 -0.746 1.00 0.00 ATOM 795 C VAL 99 15.512 64.431 -1.334 1.00 0.00 ATOM 796 N PRO 100 16.414 63.460 -1.604 1.00 0.00 ATOM 797 CA PRO 100 16.236 62.085 -1.111 1.00 0.00 ATOM 798 CB PRO 100 17.573 61.416 -1.475 1.00 0.00 ATOM 799 CG PRO 100 18.031 62.136 -2.661 1.00 0.00 ATOM 800 CD PRO 100 17.630 63.584 -2.418 1.00 0.00 ATOM 801 O PRO 100 16.768 62.751 1.124 1.00 0.00 ATOM 802 C PRO 100 16.044 62.058 0.400 1.00 0.00 ATOM 803 N VAL 101 15.054 61.295 0.865 1.00 0.00 ATOM 804 CA VAL 101 14.788 61.214 2.289 1.00 0.00 ATOM 805 CB VAL 101 13.581 60.317 2.604 1.00 0.00 ATOM 806 CG1 VAL 101 13.874 58.836 2.256 1.00 0.00 ATOM 807 CG2 VAL 101 13.132 60.491 4.063 1.00 0.00 ATOM 808 O VAL 101 16.332 61.402 4.121 1.00 0.00 ATOM 809 C VAL 101 16.050 60.826 3.079 1.00 0.00 ATOM 810 N ASN 102 16.825 59.880 2.568 1.00 0.00 ATOM 811 CA ASN 102 18.065 59.511 3.269 1.00 0.00 ATOM 812 CB ASN 102 18.827 58.403 2.544 1.00 0.00 ATOM 813 CG ASN 102 18.152 57.061 2.650 1.00 0.00 ATOM 814 ND2 ASN 102 18.681 56.075 1.910 1.00 0.00 ATOM 815 OD1 ASN 102 17.176 56.893 3.384 1.00 0.00 ATOM 816 O ASN 102 19.659 60.788 4.519 1.00 0.00 ATOM 817 C ASN 102 19.015 60.684 3.475 1.00 0.00 ATOM 818 N GLU 103 19.098 61.558 2.467 1.00 0.00 ATOM 819 CA GLU 103 19.972 62.727 2.535 1.00 0.00 ATOM 820 CB GLU 103 20.014 63.415 1.184 1.00 0.00 ATOM 821 CG GLU 103 21.033 64.530 1.104 1.00 0.00 ATOM 822 CD GLU 103 21.086 65.134 -0.287 1.00 0.00 ATOM 823 OE1 GLU 103 21.018 64.369 -1.273 1.00 0.00 ATOM 824 OE2 GLU 103 21.172 66.375 -0.395 1.00 0.00 ATOM 825 O GLU 103 20.321 64.196 4.418 1.00 0.00 ATOM 826 C GLU 103 19.509 63.703 3.614 1.00 0.00 ATOM 827 N ALA 104 18.199 63.950 3.653 1.00 0.00 ATOM 828 CA ALA 104 17.639 64.847 4.661 1.00 0.00 ATOM 829 CB ALA 104 16.172 65.110 4.382 1.00 0.00 ATOM 830 O ALA 104 18.136 64.988 7.002 1.00 0.00 ATOM 831 C ALA 104 17.816 64.265 6.068 1.00 0.00 ATOM 832 N LEU 105 17.598 62.957 6.232 1.00 0.00 ATOM 833 CA LEU 105 17.767 62.329 7.557 1.00 0.00 ATOM 834 CB LEU 105 17.272 60.881 7.533 1.00 0.00 ATOM 835 CG LEU 105 15.768 60.698 7.595 1.00 0.00 ATOM 836 CD1 LEU 105 15.489 59.236 7.257 1.00 0.00 ATOM 837 CD2 LEU 105 15.215 61.125 8.956 1.00 0.00 ATOM 838 O LEU 105 19.456 62.521 9.253 1.00 0.00 ATOM 839 C LEU 105 19.214 62.338 8.068 1.00 0.00 ATOM 840 N ASN 106 20.164 62.109 7.166 1.00 0.00 ATOM 841 CA ASN 106 21.576 62.218 7.523 1.00 0.00 ATOM 842 CB ASN 106 22.482 61.759 6.373 1.00 0.00 ATOM 843 CG ASN 106 22.479 60.265 6.185 1.00 0.00 ATOM 844 ND2 ASN 106 22.755 59.826 4.960 1.00 0.00 ATOM 845 OD1 ASN 106 22.195 59.513 7.117 1.00 0.00 ATOM 846 O ASN 106 22.642 63.891 8.854 1.00 0.00 ATOM 847 C ASN 106 21.912 63.657 7.904 1.00 0.00 ATOM 848 N ASN 107 21.360 64.640 7.197 1.00 0.00 ATOM 849 CA ASN 107 21.590 66.025 7.606 1.00 0.00 ATOM 850 CB ASN 107 20.906 66.983 6.640 1.00 0.00 ATOM 851 CG ASN 107 21.554 67.000 5.258 1.00 0.00 ATOM 852 ND2 ASN 107 20.783 67.467 4.270 1.00 0.00 ATOM 853 OD1 ASN 107 22.733 66.618 5.075 1.00 0.00 ATOM 854 O ASN 107 21.694 66.921 9.823 1.00 0.00 ATOM 855 C ASN 107 21.042 66.284 9.015 1.00 0.00 ATOM 856 N LEU 108 19.812 65.813 9.274 1.00 0.00 ATOM 857 CA LEU 108 19.213 65.999 10.593 1.00 0.00 ATOM 858 CB LEU 108 17.741 65.554 10.635 1.00 0.00 ATOM 859 CG LEU 108 16.679 66.447 10.052 1.00 0.00 ATOM 860 CD1 LEU 108 15.414 65.638 10.070 1.00 0.00 ATOM 861 CD2 LEU 108 16.491 67.706 10.879 1.00 0.00 ATOM 862 O LEU 108 20.167 65.854 12.765 1.00 0.00 ATOM 863 C LEU 108 19.992 65.308 11.686 1.00 0.00 ATOM 864 N GLU 109 20.472 64.095 11.395 1.00 0.00 ATOM 865 CA GLU 109 21.263 63.367 12.376 1.00 0.00 ATOM 866 CB GLU 109 21.548 61.936 11.906 1.00 0.00 ATOM 867 CG GLU 109 22.177 61.144 12.991 1.00 0.00 ATOM 868 CD GLU 109 22.011 59.641 12.820 1.00 0.00 ATOM 869 OE1 GLU 109 21.763 59.162 11.687 1.00 0.00 ATOM 870 OE2 GLU 109 22.146 58.935 13.832 1.00 0.00 ATOM 871 O GLU 109 22.927 64.274 13.848 1.00 0.00 ATOM 872 C GLU 109 22.544 64.136 12.682 1.00 0.00 ATOM 873 N ALA 110 23.182 64.672 11.634 1.00 0.00 ATOM 874 CA ALA 110 24.362 65.516 11.798 1.00 0.00 ATOM 875 CB ALA 110 24.927 65.901 10.448 1.00 0.00 ATOM 876 O ALA 110 24.854 67.151 13.509 1.00 0.00 ATOM 877 C ALA 110 24.062 66.766 12.647 1.00 0.00 ATOM 878 N ILE 111 22.906 67.387 12.422 1.00 0.00 ATOM 879 CA ILE 111 22.490 68.511 13.249 1.00 0.00 ATOM 880 CB ILE 111 21.195 69.120 12.710 1.00 0.00 ATOM 881 CG1 ILE 111 21.480 69.804 11.368 1.00 0.00 ATOM 882 CG2 ILE 111 20.584 70.103 13.710 1.00 0.00 ATOM 883 CD1 ILE 111 20.241 70.063 10.552 1.00 0.00 ATOM 884 O ILE 111 22.810 68.741 15.623 1.00 0.00 ATOM 885 C ILE 111 22.289 68.114 14.717 1.00 0.00 ATOM 886 N ILE 112 21.549 67.034 14.942 1.00 0.00 ATOM 887 CA ILE 112 21.344 66.567 16.296 1.00 0.00 ATOM 888 CB ILE 112 20.478 65.309 16.253 1.00 0.00 ATOM 889 CG1 ILE 112 19.029 65.717 16.009 1.00 0.00 ATOM 890 CG2 ILE 112 20.603 64.506 17.551 1.00 0.00 ATOM 891 CD1 ILE 112 18.156 64.511 15.620 1.00 0.00 ATOM 892 O ILE 112 22.863 66.650 18.179 1.00 0.00 ATOM 893 C ILE 112 22.675 66.280 17.012 1.00 0.00 ATOM 894 N GLN 113 23.608 65.613 16.326 1.00 0.00 ATOM 895 CA GLN 113 24.897 65.309 16.959 1.00 0.00 ATOM 896 CB GLN 113 25.717 64.381 16.077 1.00 0.00 ATOM 897 CG GLN 113 25.076 62.999 15.954 1.00 0.00 ATOM 898 CD GLN 113 25.807 62.099 14.973 1.00 0.00 ATOM 899 OE1 GLN 113 26.708 62.546 14.272 1.00 0.00 ATOM 900 NE2 GLN 113 25.426 60.828 14.924 1.00 0.00 ATOM 901 O GLN 113 26.350 66.595 18.372 1.00 0.00 ATOM 902 C GLN 113 25.692 66.559 17.327 1.00 0.00 ATOM 903 N SER 114 25.642 67.573 16.461 1.00 0.00 ATOM 904 CA SER 114 26.352 68.830 16.701 1.00 0.00 ATOM 905 CB SER 114 26.257 69.712 15.462 1.00 0.00 ATOM 906 OG SER 114 27.084 70.856 15.568 1.00 0.00 ATOM 907 O SER 114 26.524 69.946 18.846 1.00 0.00 ATOM 908 C SER 114 25.785 69.553 17.926 1.00 0.00 ATOM 909 N VAL 115 24.460 69.716 17.944 1.00 0.00 ATOM 910 CA VAL 115 23.794 70.276 19.114 1.00 0.00 ATOM 911 CB VAL 115 22.260 70.367 18.884 1.00 0.00 ATOM 912 CG1 VAL 115 21.575 70.876 20.141 1.00 0.00 ATOM 913 CG2 VAL 115 21.948 71.272 17.679 1.00 0.00 ATOM 914 O VAL 115 24.369 70.104 21.459 1.00 0.00 ATOM 915 C VAL 115 24.119 69.501 20.409 1.00 0.00 ATOM 916 N ALA 116 24.125 68.171 20.333 1.00 0.00 ATOM 917 CA ALA 116 24.466 67.306 21.482 1.00 0.00 ATOM 918 CB ALA 116 24.430 65.827 21.081 1.00 0.00 ATOM 919 O ALA 116 25.878 67.620 23.391 1.00 0.00 ATOM 920 C ALA 116 25.796 67.615 22.154 1.00 0.00 ATOM 921 N ARG 117 26.845 67.852 21.366 1.00 0.00 ATOM 922 CA ARG 117 28.143 68.135 21.956 1.00 0.00 ATOM 923 CB ARG 117 29.314 67.745 21.032 1.00 0.00 ATOM 924 CG ARG 117 29.324 68.358 19.644 1.00 0.00 ATOM 925 CD ARG 117 30.309 67.593 18.718 1.00 0.00 ATOM 926 NE ARG 117 30.029 67.892 17.307 1.00 0.00 ATOM 927 CZ ARG 117 29.582 67.009 16.411 1.00 0.00 ATOM 928 NH1 ARG 117 29.390 65.735 16.750 1.00 0.00 ATOM 929 NH2 ARG 117 29.344 67.398 15.162 1.00 0.00 ATOM 930 O ARG 117 28.904 69.749 23.560 1.00 0.00 ATOM 931 C ARG 117 28.281 69.554 22.512 1.00 0.00 ATOM 932 N ASP 118 27.677 70.526 21.824 1.00 0.00 ATOM 933 CA ASP 118 27.754 71.942 22.214 1.00 0.00 ATOM 934 CB ASP 118 27.526 72.839 20.986 1.00 0.00 ATOM 935 CG ASP 118 28.650 72.741 19.965 1.00 0.00 ATOM 936 OD1 ASP 118 29.803 72.426 20.349 1.00 0.00 ATOM 937 OD2 ASP 118 28.368 72.985 18.775 1.00 0.00 ATOM 938 O ASP 118 26.979 73.259 24.067 1.00 0.00 ATOM 939 C ASP 118 26.729 72.335 23.284 1.00 0.00 ATOM 940 N TYR 119 25.582 71.648 23.292 1.00 0.00 ATOM 941 CA TYR 119 24.447 71.969 24.192 1.00 0.00 ATOM 942 CB TYR 119 23.292 72.657 23.415 1.00 0.00 ATOM 943 CG TYR 119 23.710 73.981 22.846 1.00 0.00 ATOM 944 CD1 TYR 119 23.575 75.157 23.597 1.00 0.00 ATOM 945 CD2 TYR 119 24.279 74.070 21.574 1.00 0.00 ATOM 946 CE1 TYR 119 23.998 76.385 23.092 1.00 0.00 ATOM 947 CE2 TYR 119 24.710 75.293 21.060 1.00 0.00 ATOM 948 CZ TYR 119 24.556 76.445 21.819 1.00 0.00 ATOM 949 OH TYR 119 24.970 77.652 21.309 1.00 0.00 ATOM 950 O TYR 119 22.868 70.213 24.608 1.00 0.00 ATOM 951 C TYR 119 23.958 70.698 24.881 1.00 0.00 ATOM 952 N PRO 120 24.784 70.121 25.775 1.00 0.00 ATOM 953 CA PRO 120 24.442 68.784 26.262 1.00 0.00 ATOM 954 CB PRO 120 25.739 68.339 26.970 1.00 0.00 ATOM 955 CG PRO 120 26.355 69.621 27.450 1.00 0.00 ATOM 956 CD PRO 120 26.032 70.639 26.367 1.00 0.00 ATOM 957 O PRO 120 22.674 67.625 27.389 1.00 0.00 ATOM 958 C PRO 120 23.230 68.704 27.212 1.00 0.00 ATOM 959 N LEU 121 22.824 69.805 27.841 1.00 0.00 ATOM 960 CA LEU 121 21.695 69.733 28.789 1.00 0.00 ATOM 961 CB LEU 121 21.951 70.566 30.061 1.00 0.00 ATOM 962 CG LEU 121 23.124 70.163 30.955 1.00 0.00 ATOM 963 CD1 LEU 121 23.161 71.048 32.216 1.00 0.00 ATOM 964 CD2 LEU 121 23.034 68.663 31.335 1.00 0.00 ATOM 965 O LEU 121 19.332 70.231 28.774 1.00 0.00 ATOM 966 C LEU 121 20.391 70.167 28.120 1.00 0.00 ATOM 967 N THR 122 20.489 70.449 26.818 1.00 0.00 ATOM 968 CA THR 122 19.397 71.027 26.019 1.00 0.00 ATOM 969 CB THR 122 19.969 71.995 24.975 1.00 0.00 ATOM 970 CG2 THR 122 18.841 72.701 24.206 1.00 0.00 ATOM 971 OG1 THR 122 20.785 72.970 25.632 1.00 0.00 ATOM 972 O THR 122 19.077 69.067 24.646 1.00 0.00 ATOM 973 C THR 122 18.552 69.959 25.315 1.00 0.00 ATOM 974 N GLU 123 17.234 70.068 25.450 1.00 0.00 ATOM 975 CA GLU 123 16.340 69.126 24.812 1.00 0.00 ATOM 976 CB GLU 123 15.029 69.082 25.565 1.00 0.00 ATOM 977 CG GLU 123 15.194 68.545 26.974 1.00 0.00 ATOM 978 CD GLU 123 13.911 68.536 27.767 1.00 0.00 ATOM 979 OE1 GLU 123 12.847 68.941 27.236 1.00 0.00 ATOM 980 OE2 GLU 123 13.974 68.107 28.938 1.00 0.00 ATOM 981 O GLU 123 15.934 70.798 23.163 1.00 0.00 ATOM 982 C GLU 123 16.077 69.592 23.405 1.00 0.00 ATOM 983 N ILE 124 16.024 68.656 22.477 1.00 0.00 ATOM 984 CA ILE 124 15.649 68.954 21.102 1.00 0.00 ATOM 985 CB ILE 124 16.621 68.338 20.063 1.00 0.00 ATOM 986 CG1 ILE 124 18.018 68.943 20.220 1.00 0.00 ATOM 987 CG2 ILE 124 16.087 68.528 18.657 1.00 0.00 ATOM 988 CD1 ILE 124 19.138 68.046 19.674 1.00 0.00 ATOM 989 O ILE 124 13.983 67.260 21.227 1.00 0.00 ATOM 990 C ILE 124 14.246 68.416 20.889 1.00 0.00 ATOM 991 N LYS 125 13.351 69.272 20.387 1.00 0.00 ATOM 992 CA LYS 125 12.002 68.856 20.033 1.00 0.00 ATOM 993 CB LYS 125 10.965 69.796 20.663 1.00 0.00 ATOM 994 CG LYS 125 11.043 69.901 22.208 1.00 0.00 ATOM 995 CD LYS 125 10.963 68.548 22.884 1.00 0.00 ATOM 996 CE LYS 125 11.025 68.701 24.410 1.00 0.00 ATOM 997 NZ LYS 125 11.246 67.364 25.052 1.00 0.00 ATOM 998 O LYS 125 11.926 69.953 17.925 1.00 0.00 ATOM 999 C LYS 125 11.890 68.880 18.520 1.00 0.00 ATOM 1000 N LEU 126 11.849 67.698 17.902 1.00 0.00 ATOM 1001 CA LEU 126 11.833 67.553 16.456 1.00 0.00 ATOM 1002 CB LEU 126 12.595 66.284 16.040 1.00 0.00 ATOM 1003 CG LEU 126 12.638 65.980 14.531 1.00 0.00 ATOM 1004 CD1 LEU 126 13.313 67.145 13.755 1.00 0.00 ATOM 1005 CD2 LEU 126 13.360 64.636 14.308 1.00 0.00 ATOM 1006 O LEU 126 9.734 66.414 16.268 1.00 0.00 ATOM 1007 C LEU 126 10.377 67.442 16.027 1.00 0.00 ATOM 1008 N LEU 127 9.856 68.515 15.427 1.00 0.00 ATOM 1009 CA LEU 127 8.446 68.505 15.042 1.00 0.00 ATOM 1010 CB LEU 127 7.915 69.918 14.727 1.00 0.00 ATOM 1011 CG LEU 127 7.365 70.667 15.930 1.00 0.00 ATOM 1012 CD1 LEU 127 8.441 70.952 16.981 1.00 0.00 ATOM 1013 CD2 LEU 127 6.728 71.944 15.383 1.00 0.00 ATOM 1014 O LEU 127 8.980 67.637 12.874 1.00 0.00 ATOM 1015 C LEU 127 8.188 67.656 13.807 1.00 0.00 ATOM 1016 N SER 128 7.029 67.009 13.762 1.00 0.00 ATOM 1017 CA SER 128 6.581 66.474 12.499 1.00 0.00 ATOM 1018 CB SER 128 5.191 65.831 12.687 1.00 0.00 ATOM 1019 OG SER 128 4.259 66.798 13.146 1.00 0.00 ATOM 1020 O SER 128 6.052 68.711 11.794 1.00 0.00 ATOM 1021 C SER 128 6.481 67.583 11.474 1.00 0.00 ATOM 1022 N ILE 129 6.873 67.292 10.243 1.00 0.00 ATOM 1023 CA ILE 129 6.564 68.220 9.138 1.00 0.00 ATOM 1024 CB ILE 129 7.115 67.657 7.802 1.00 0.00 ATOM 1025 CG1 ILE 129 8.646 67.517 7.891 1.00 0.00 ATOM 1026 CG2 ILE 129 6.700 68.517 6.609 1.00 0.00 ATOM 1027 CD1 ILE 129 9.272 66.616 6.796 1.00 0.00 ATOM 1028 O ILE 129 4.275 67.436 9.226 1.00 0.00 ATOM 1029 C ILE 129 5.040 68.404 9.071 1.00 0.00 ATOM 1030 N LEU 130 4.599 69.628 8.807 1.00 0.00 ATOM 1031 CA LEU 130 3.173 69.905 8.851 1.00 0.00 ATOM 1032 CB LEU 130 2.946 71.404 9.014 1.00 0.00 ATOM 1033 CG LEU 130 3.622 72.063 10.223 1.00 0.00 ATOM 1034 CD1 LEU 130 3.119 73.491 10.391 1.00 0.00 ATOM 1035 CD2 LEU 130 3.421 71.275 11.478 1.00 0.00 ATOM 1036 O LEU 130 3.083 69.310 6.528 1.00 0.00 ATOM 1037 C LEU 130 2.466 69.442 7.573 1.00 0.00 ATOM 1038 N PRO 131 1.147 69.220 7.658 1.00 0.00 ATOM 1039 CA PRO 131 0.434 68.831 6.447 1.00 0.00 ATOM 1040 CB PRO 131 -0.997 68.469 6.960 1.00 0.00 ATOM 1041 CG PRO 131 -1.133 69.184 8.257 1.00 0.00 ATOM 1042 CD PRO 131 0.265 69.301 8.838 1.00 0.00 ATOM 1043 O PRO 131 0.496 71.144 5.867 1.00 0.00 ATOM 1044 C PRO 131 0.322 69.991 5.474 1.00 0.00 ATOM 1045 N VAL 132 0.026 69.668 4.216 1.00 0.00 ATOM 1046 CA VAL 132 -0.285 70.684 3.212 1.00 0.00 ATOM 1047 CB VAL 132 0.648 70.549 1.977 1.00 0.00 ATOM 1048 CG1 VAL 132 2.089 70.889 2.352 1.00 0.00 ATOM 1049 CG2 VAL 132 0.578 69.130 1.379 1.00 0.00 ATOM 1050 O VAL 132 -2.346 69.429 3.125 1.00 0.00 ATOM 1051 C VAL 132 -1.731 70.471 2.787 1.00 0.00 ATOM 1052 N ASN 133 -2.266 71.445 2.047 1.00 0.00 ATOM 1053 CA ASN 133 -3.573 71.254 1.425 1.00 0.00 ATOM 1054 CB ASN 133 -4.516 72.405 1.754 1.00 0.00 ATOM 1055 CG ASN 133 -5.927 72.097 1.326 1.00 0.00 ATOM 1056 ND2 ASN 133 -6.872 72.145 2.270 1.00 0.00 ATOM 1057 OD1 ASN 133 -6.160 71.800 0.158 1.00 0.00 ATOM 1058 O ASN 133 -2.861 71.910 -0.789 1.00 0.00 ATOM 1059 C ASN 133 -3.397 71.042 -0.089 1.00 0.00 ATOM 1060 N GLU 134 -3.814 69.868 -0.580 1.00 0.00 ATOM 1061 CA GLU 134 -3.482 69.421 -1.945 1.00 0.00 ATOM 1062 CB GLU 134 -3.420 67.879 -1.992 1.00 0.00 ATOM 1063 CG GLU 134 -2.228 67.279 -1.243 1.00 0.00 ATOM 1064 CD GLU 134 -2.395 65.795 -0.944 1.00 0.00 ATOM 1065 OE1 GLU 134 -3.505 65.251 -1.161 1.00 0.00 ATOM 1066 OE2 GLU 134 -1.423 65.154 -0.506 1.00 0.00 ATOM 1067 O GLU 134 -4.229 69.629 -4.227 1.00 0.00 ATOM 1068 C GLU 134 -4.422 69.936 -3.034 1.00 0.00 ATOM 1069 N ARG 135 -5.428 70.713 -2.643 1.00 0.00 ATOM 1070 CA ARG 135 -6.398 71.244 -3.614 1.00 0.00 ATOM 1071 CB ARG 135 -7.491 72.021 -2.909 1.00 0.00 ATOM 1072 CG ARG 135 -8.375 71.147 -2.039 1.00 0.00 ATOM 1073 CD ARG 135 -9.293 72.011 -1.207 1.00 0.00 ATOM 1074 NE ARG 135 -10.019 72.968 -2.045 1.00 0.00 ATOM 1075 CZ ARG 135 -11.162 72.701 -2.683 1.00 0.00 ATOM 1076 NH1 ARG 135 -11.722 71.498 -2.594 1.00 0.00 ATOM 1077 NH2 ARG 135 -11.743 73.640 -3.423 1.00 0.00 ATOM 1078 O ARG 135 -4.720 72.758 -4.423 1.00 0.00 ATOM 1079 C ARG 135 -5.725 72.103 -4.680 1.00 0.00 ATOM 1080 N GLU 136 -6.272 72.080 -5.895 1.00 0.00 ATOM 1081 CA GLU 136 -5.602 72.759 -7.009 1.00 0.00 ATOM 1082 CB GLU 136 -6.362 72.554 -8.321 1.00 0.00 ATOM 1083 CG GLU 136 -5.611 73.033 -9.590 1.00 0.00 ATOM 1084 CD GLU 136 -4.178 72.467 -9.742 1.00 0.00 ATOM 1085 OE1 GLU 136 -3.868 71.365 -9.214 1.00 0.00 ATOM 1086 OE2 GLU 136 -3.352 73.149 -10.403 1.00 0.00 ATOM 1087 O GLU 136 -4.373 74.808 -7.201 1.00 0.00 ATOM 1088 C GLU 136 -5.380 74.244 -6.762 1.00 0.00 ATOM 1089 N GLU 137 -6.300 74.867 -6.029 1.00 0.00 ATOM 1090 CA GLU 137 -6.199 76.299 -5.749 1.00 0.00 ATOM 1091 CB GLU 137 -7.432 76.800 -4.988 1.00 0.00 ATOM 1092 CG GLU 137 -7.561 76.206 -3.583 1.00 0.00 ATOM 1093 CD GLU 137 -8.803 76.666 -2.858 1.00 0.00 ATOM 1094 OE1 GLU 137 -8.980 77.904 -2.738 1.00 0.00 ATOM 1095 OE2 GLU 137 -9.593 75.789 -2.405 1.00 0.00 ATOM 1096 O GLU 137 -4.500 77.831 -5.018 1.00 0.00 ATOM 1097 C GLU 137 -4.913 76.673 -4.995 1.00 0.00 ATOM 1098 N TYR 138 -4.294 75.697 -4.322 1.00 0.00 ATOM 1099 CA TYR 138 -3.077 75.940 -3.540 1.00 0.00 ATOM 1100 CB TYR 138 -3.198 75.303 -2.160 1.00 0.00 ATOM 1101 CG TYR 138 -4.350 75.767 -1.324 1.00 0.00 ATOM 1102 CD1 TYR 138 -4.512 77.107 -0.967 1.00 0.00 ATOM 1103 CD2 TYR 138 -5.250 74.846 -0.842 1.00 0.00 ATOM 1104 CE1 TYR 138 -5.570 77.506 -0.128 1.00 0.00 ATOM 1105 CE2 TYR 138 -6.318 75.232 -0.031 1.00 0.00 ATOM 1106 CZ TYR 138 -6.462 76.555 0.323 1.00 0.00 ATOM 1107 OH TYR 138 -7.535 76.906 1.122 1.00 0.00 ATOM 1108 O TYR 138 -0.713 75.467 -3.581 1.00 0.00 ATOM 1109 C TYR 138 -1.791 75.438 -4.193 1.00 0.00 ATOM 1110 N GLN 139 -1.881 75.023 -5.455 1.00 0.00 ATOM 1111 CA GLN 139 -0.732 74.358 -6.083 1.00 0.00 ATOM 1112 CB GLN 139 -1.140 73.666 -7.383 1.00 0.00 ATOM 1113 CG GLN 139 -1.400 72.162 -7.192 1.00 0.00 ATOM 1114 CD GLN 139 -0.106 71.350 -6.930 1.00 0.00 ATOM 1115 OE1 GLN 139 0.661 71.071 -7.865 1.00 0.00 ATOM 1116 NE2 GLN 139 0.114 70.946 -5.672 1.00 0.00 ATOM 1117 O GLN 139 1.640 74.656 -6.310 1.00 0.00 ATOM 1118 C GLN 139 0.533 75.203 -6.267 1.00 0.00 ATOM 1119 N GLN 140 0.387 76.528 -6.337 1.00 0.00 ATOM 1120 CA GLN 140 1.543 77.432 -6.491 1.00 0.00 ATOM 1121 CB GLN 140 1.086 78.863 -6.760 1.00 0.00 ATOM 1122 CG GLN 140 0.374 79.054 -8.080 1.00 0.00 ATOM 1123 CD GLN 140 -0.378 80.372 -8.155 1.00 0.00 ATOM 1124 OE1 GLN 140 -0.958 80.836 -7.162 1.00 0.00 ATOM 1125 NE2 GLN 140 -0.375 80.982 -9.335 1.00 0.00 ATOM 1126 O GLN 140 3.702 77.710 -5.446 1.00 0.00 ATOM 1127 C GLN 140 2.500 77.439 -5.293 1.00 0.00 ATOM 1128 N ALA 141 1.969 77.182 -4.098 1.00 0.00 ATOM 1129 CA ALA 141 2.804 77.075 -2.902 1.00 0.00 ATOM 1130 CB ALA 141 2.116 77.711 -1.712 1.00 0.00 ATOM 1131 O ALA 141 4.211 75.277 -2.210 1.00 0.00 ATOM 1132 C ALA 141 3.102 75.617 -2.615 1.00 0.00 ATOM 1133 N VAL 142 2.100 74.761 -2.792 1.00 0.00 ATOM 1134 CA VAL 142 2.255 73.359 -2.359 1.00 0.00 ATOM 1135 CB VAL 142 0.868 72.689 -2.133 1.00 0.00 ATOM 1136 CG1 VAL 142 0.983 71.172 -1.852 1.00 0.00 ATOM 1137 CG2 VAL 142 0.130 73.418 -1.003 1.00 0.00 ATOM 1138 O VAL 142 3.979 71.765 -2.845 1.00 0.00 ATOM 1139 C VAL 142 3.164 72.558 -3.305 1.00 0.00 ATOM 1140 N TYR 143 3.017 72.778 -4.616 1.00 0.00 ATOM 1141 CA TYR 143 3.914 72.186 -5.598 1.00 0.00 ATOM 1142 CB TYR 143 5.309 72.796 -5.465 1.00 0.00 ATOM 1143 CG TYR 143 6.271 72.452 -6.575 1.00 0.00 ATOM 1144 CD1 TYR 143 5.910 72.582 -7.912 1.00 0.00 ATOM 1145 CD2 TYR 143 7.558 72.035 -6.279 1.00 0.00 ATOM 1146 CE1 TYR 143 6.801 72.259 -8.928 1.00 0.00 ATOM 1147 CE2 TYR 143 8.444 71.722 -7.279 1.00 0.00 ATOM 1148 CZ TYR 143 8.066 71.852 -8.604 1.00 0.00 ATOM 1149 OH TYR 143 8.970 71.563 -9.603 1.00 0.00 ATOM 1150 O TYR 143 2.808 70.073 -5.314 1.00 0.00 ATOM 1151 C TYR 143 3.890 70.656 -5.446 1.00 0.00 ATOM 1152 N ILE 144 5.047 69.990 -5.438 1.00 0.00 ATOM 1153 CA ILE 144 5.068 68.528 -5.467 1.00 0.00 ATOM 1154 CB ILE 144 6.343 67.982 -6.180 1.00 0.00 ATOM 1155 CG1 ILE 144 7.596 68.402 -5.392 1.00 0.00 ATOM 1156 CG2 ILE 144 6.341 68.426 -7.652 1.00 0.00 ATOM 1157 CD1 ILE 144 8.904 67.708 -5.822 1.00 0.00 ATOM 1158 O ILE 144 4.939 66.659 -3.976 1.00 0.00 ATOM 1159 C ILE 144 4.899 67.885 -4.091 1.00 0.00 ATOM 1160 N ARG 145 4.700 68.698 -3.052 1.00 0.00 ATOM 1161 CA ARG 145 4.478 68.127 -1.721 1.00 0.00 ATOM 1162 CB ARG 145 4.452 69.224 -0.659 1.00 0.00 ATOM 1163 CG ARG 145 5.720 70.063 -0.578 1.00 0.00 ATOM 1164 CD ARG 145 5.528 71.289 0.295 1.00 0.00 ATOM 1165 NE ARG 145 6.731 72.123 0.355 1.00 0.00 ATOM 1166 CZ ARG 145 7.119 72.944 -0.619 1.00 0.00 ATOM 1167 NH1 ARG 145 6.407 73.051 -1.752 1.00 0.00 ATOM 1168 NH2 ARG 145 8.231 73.658 -0.470 1.00 0.00 ATOM 1169 O ARG 145 2.185 67.831 -2.266 1.00 0.00 ATOM 1170 C ARG 145 3.165 67.383 -1.676 1.00 0.00 ATOM 1171 N SER 146 3.147 66.243 -0.994 1.00 0.00 ATOM 1172 CA SER 146 1.904 65.521 -0.753 1.00 0.00 ATOM 1173 CB SER 146 1.795 64.325 -1.698 1.00 0.00 ATOM 1174 OG SER 146 2.656 63.276 -1.298 1.00 0.00 ATOM 1175 O SER 146 2.953 64.883 1.335 1.00 0.00 ATOM 1176 C SER 146 1.895 65.077 0.711 1.00 0.00 ATOM 1177 N ASN 147 0.694 64.909 1.248 1.00 0.00 ATOM 1178 CA ASN 147 0.580 64.391 2.609 1.00 0.00 ATOM 1179 CB ASN 147 -0.824 64.651 3.155 1.00 0.00 ATOM 1180 CG ASN 147 -1.080 66.128 3.300 1.00 0.00 ATOM 1181 ND2 ASN 147 -2.120 66.647 2.659 1.00 0.00 ATOM 1182 OD1 ASN 147 -0.287 66.811 3.948 1.00 0.00 ATOM 1183 O ASN 147 1.541 62.577 3.857 1.00 0.00 ATOM 1184 C ASN 147 1.070 62.952 2.774 1.00 0.00 ATOM 1185 N GLU 148 0.989 62.161 1.709 1.00 0.00 ATOM 1186 CA GLU 148 1.565 60.827 1.787 1.00 0.00 ATOM 1187 CB GLU 148 1.159 59.983 0.579 1.00 0.00 ATOM 1188 CG GLU 148 -0.134 59.147 0.810 1.00 0.00 ATOM 1189 CD GLU 148 -1.287 59.888 1.520 1.00 0.00 ATOM 1190 OE1 GLU 148 -1.508 59.625 2.731 1.00 0.00 ATOM 1191 OE2 GLU 148 -1.990 60.724 0.886 1.00 0.00 ATOM 1192 O GLU 148 3.620 60.190 2.877 1.00 0.00 ATOM 1193 C GLU 148 3.084 60.895 2.004 1.00 0.00 ATOM 1194 N LYS 149 3.760 61.756 1.241 1.00 0.00 ATOM 1195 CA LYS 149 5.203 61.957 1.384 1.00 0.00 ATOM 1196 CB LYS 149 5.710 62.991 0.378 1.00 0.00 ATOM 1197 CG LYS 149 5.783 62.483 -1.038 1.00 0.00 ATOM 1198 CD LYS 149 6.785 63.306 -1.811 1.00 0.00 ATOM 1199 CE LYS 149 6.131 64.366 -2.651 1.00 0.00 ATOM 1200 NZ LYS 149 6.671 64.253 -4.083 1.00 0.00 ATOM 1201 O LYS 149 6.361 61.879 3.478 1.00 0.00 ATOM 1202 C LYS 149 5.516 62.437 2.786 1.00 0.00 ATOM 1203 N ILE 150 4.813 63.484 3.199 1.00 0.00 ATOM 1204 CA ILE 150 5.047 64.087 4.509 1.00 0.00 ATOM 1205 CB ILE 150 4.139 65.308 4.710 1.00 0.00 ATOM 1206 CG1 ILE 150 4.584 66.402 3.735 1.00 0.00 ATOM 1207 CG2 ILE 150 4.155 65.780 6.185 1.00 0.00 ATOM 1208 CD1 ILE 150 3.559 67.522 3.558 1.00 0.00 ATOM 1209 O ILE 150 5.736 62.999 6.558 1.00 0.00 ATOM 1210 C ILE 150 4.891 63.060 5.640 1.00 0.00 ATOM 1211 N GLN 151 3.852 62.229 5.559 1.00 0.00 ATOM 1212 CA GLN 151 3.663 61.237 6.620 1.00 0.00 ATOM 1213 CB GLN 151 2.281 60.584 6.535 1.00 0.00 ATOM 1214 CG GLN 151 1.216 61.527 6.999 1.00 0.00 ATOM 1215 CD GLN 151 -0.154 60.927 6.971 1.00 0.00 ATOM 1216 OE1 GLN 151 -0.727 60.632 8.016 1.00 0.00 ATOM 1217 NE2 GLN 151 -0.701 60.754 5.774 1.00 0.00 ATOM 1218 O GLN 151 5.208 59.731 7.671 1.00 0.00 ATOM 1219 C GLN 151 4.790 60.206 6.614 1.00 0.00 ATOM 1220 N ASN 152 5.278 59.852 5.429 1.00 0.00 ATOM 1221 CA ASN 152 6.406 58.912 5.344 1.00 0.00 ATOM 1222 CB ASN 152 6.654 58.497 3.888 1.00 0.00 ATOM 1223 CG ASN 152 5.574 57.581 3.342 1.00 0.00 ATOM 1224 ND2 ASN 152 5.405 57.575 2.022 1.00 0.00 ATOM 1225 OD1 ASN 152 4.895 56.897 4.096 1.00 0.00 ATOM 1226 O ASN 152 8.417 58.843 6.669 1.00 0.00 ATOM 1227 C ASN 152 7.679 59.518 5.950 1.00 0.00 ATOM 1228 N TRP 153 7.942 60.796 5.655 1.00 0.00 ATOM 1229 CA TRP 153 9.086 61.481 6.268 1.00 0.00 ATOM 1230 CB TRP 153 9.307 62.878 5.661 1.00 0.00 ATOM 1231 CG TRP 153 9.977 62.834 4.289 1.00 0.00 ATOM 1232 CD1 TRP 153 9.666 62.002 3.258 1.00 0.00 ATOM 1233 CD2 TRP 153 11.054 63.665 3.829 1.00 0.00 ATOM 1234 CE2 TRP 153 11.352 63.267 2.503 1.00 0.00 ATOM 1235 CE3 TRP 153 11.803 64.692 4.419 1.00 0.00 ATOM 1236 NE1 TRP 153 10.501 62.248 2.175 1.00 0.00 ATOM 1237 CZ2 TRP 153 12.360 63.876 1.751 1.00 0.00 ATOM 1238 CZ3 TRP 153 12.794 65.297 3.685 1.00 0.00 ATOM 1239 CH2 TRP 153 13.073 64.887 2.365 1.00 0.00 ATOM 1240 O TRP 153 9.849 61.416 8.530 1.00 0.00 ATOM 1241 C TRP 153 8.895 61.577 7.777 1.00 0.00 ATOM 1242 N ASN 154 7.665 61.836 8.226 1.00 0.00 ATOM 1243 CA ASN 154 7.445 61.926 9.648 1.00 0.00 ATOM 1244 CB ASN 154 6.049 62.448 9.950 1.00 0.00 ATOM 1245 CG ASN 154 5.943 63.919 9.654 1.00 0.00 ATOM 1246 ND2 ASN 154 4.708 64.426 9.474 1.00 0.00 ATOM 1247 OD1 ASN 154 6.965 64.614 9.650 1.00 0.00 ATOM 1248 O ASN 154 8.235 60.614 11.500 1.00 0.00 ATOM 1249 C ASN 154 7.711 60.601 10.372 1.00 0.00 ATOM 1250 N GLN 155 7.407 59.482 9.715 1.00 0.00 ATOM 1251 CA GLN 155 7.758 58.181 10.293 1.00 0.00 ATOM 1252 CB GLN 155 7.201 57.032 9.437 1.00 0.00 ATOM 1253 CG GLN 155 7.554 55.651 9.991 1.00 0.00 ATOM 1254 CD GLN 155 7.273 55.548 11.497 1.00 0.00 ATOM 1255 OE1 GLN 155 6.136 55.781 11.955 1.00 0.00 ATOM 1256 NE2 GLN 155 8.313 55.215 12.279 1.00 0.00 ATOM 1257 O GLN 155 9.734 57.614 11.538 1.00 0.00 ATOM 1258 C GLN 155 9.264 58.063 10.486 1.00 0.00 ATOM 1259 N ALA 156 10.019 58.517 9.497 1.00 0.00 ATOM 1260 CA ALA 156 11.468 58.504 9.572 1.00 0.00 ATOM 1261 CB ALA 156 12.087 58.812 8.203 1.00 0.00 ATOM 1262 O ALA 156 12.974 59.155 11.339 1.00 0.00 ATOM 1263 C ALA 156 11.989 59.458 10.647 1.00 0.00 ATOM 1264 N TYR 157 11.348 60.620 10.772 1.00 0.00 ATOM 1265 CA TYR 157 11.755 61.533 11.840 1.00 0.00 ATOM 1266 CB TYR 157 10.955 62.842 11.787 1.00 0.00 ATOM 1267 CG TYR 157 11.414 63.899 10.792 1.00 0.00 ATOM 1268 CD1 TYR 157 12.051 63.555 9.578 1.00 0.00 ATOM 1269 CD2 TYR 157 11.132 65.250 11.029 1.00 0.00 ATOM 1270 CE1 TYR 157 12.433 64.540 8.661 1.00 0.00 ATOM 1271 CE2 TYR 157 11.526 66.238 10.126 1.00 0.00 ATOM 1272 CZ TYR 157 12.156 65.878 8.947 1.00 0.00 ATOM 1273 OH TYR 157 12.539 66.833 8.020 1.00 0.00 ATOM 1274 O TYR 157 12.364 61.059 14.095 1.00 0.00 ATOM 1275 C TYR 157 11.548 60.893 13.208 1.00 0.00 ATOM 1276 N GLN 158 10.408 60.226 13.387 1.00 0.00 ATOM 1277 CA GLN 158 10.099 59.570 14.643 1.00 0.00 ATOM 1278 CB GLN 158 8.711 58.929 14.594 1.00 0.00 ATOM 1279 CG GLN 158 8.238 58.379 15.935 1.00 0.00 ATOM 1280 CD GLN 158 6.810 57.825 15.847 1.00 0.00 ATOM 1281 OE1 GLN 158 6.386 57.306 14.805 1.00 0.00 ATOM 1282 NE2 GLN 158 6.067 57.926 16.952 1.00 0.00 ATOM 1283 O GLN 158 11.621 58.400 16.077 1.00 0.00 ATOM 1284 C GLN 158 11.169 58.531 14.938 1.00 0.00 ATOM 1285 N GLU 159 11.608 57.807 13.912 1.00 0.00 ATOM 1286 CA GLU 159 12.613 56.751 14.143 1.00 0.00 ATOM 1287 CB GLU 159 12.741 55.868 12.909 1.00 0.00 ATOM 1288 CG GLU 159 11.508 55.012 12.691 1.00 0.00 ATOM 1289 CD GLU 159 11.567 54.149 11.441 1.00 0.00 ATOM 1290 OE1 GLU 159 12.686 53.843 10.957 1.00 0.00 ATOM 1291 OE2 GLU 159 10.477 53.749 10.967 1.00 0.00 ATOM 1292 O GLU 159 14.658 56.872 15.423 1.00 0.00 ATOM 1293 C GLU 159 13.962 57.355 14.532 1.00 0.00 ATOM 1294 N LEU 160 14.320 58.452 13.870 1.00 0.00 ATOM 1295 CA LEU 160 15.561 59.131 14.183 1.00 0.00 ATOM 1296 CB LEU 160 15.842 60.270 13.180 1.00 0.00 ATOM 1297 CG LEU 160 17.066 61.136 13.467 1.00 0.00 ATOM 1298 CD1 LEU 160 18.362 60.340 13.416 1.00 0.00 ATOM 1299 CD2 LEU 160 17.103 62.308 12.468 1.00 0.00 ATOM 1300 O LEU 160 16.493 59.467 16.362 1.00 0.00 ATOM 1301 C LEU 160 15.525 59.654 15.626 1.00 0.00 ATOM 1302 N ALA 161 14.405 60.273 16.031 1.00 0.00 ATOM 1303 CA ALA 161 14.237 60.763 17.408 1.00 0.00 ATOM 1304 CB ALA 161 12.859 61.364 17.614 1.00 0.00 ATOM 1305 O ALA 161 15.012 59.920 19.503 1.00 0.00 ATOM 1306 C ALA 161 14.457 59.655 18.442 1.00 0.00 ATOM 1307 N SER 162 14.019 58.435 18.123 1.00 0.00 ATOM 1308 CA SER 162 14.157 57.296 19.055 1.00 0.00 ATOM 1309 CB SER 162 13.348 56.081 18.579 1.00 0.00 ATOM 1310 OG SER 162 14.008 55.405 17.528 1.00 0.00 ATOM 1311 O SER 162 15.898 56.150 20.256 1.00 0.00 ATOM 1312 C SER 162 15.614 56.895 19.321 1.00 0.00 ATOM 1313 N ALA 163 16.535 57.398 18.504 1.00 0.00 ATOM 1314 CA ALA 163 17.939 57.016 18.632 1.00 0.00 ATOM 1315 CB ALA 163 18.560 56.805 17.266 1.00 0.00 ATOM 1316 O ALA 163 19.945 57.780 19.666 1.00 0.00 ATOM 1317 C ALA 163 18.749 57.989 19.480 1.00 0.00 ATOM 1318 N TYR 164 18.104 59.046 19.986 1.00 0.00 ATOM 1319 CA TYR 164 18.783 60.069 20.819 1.00 0.00 ATOM 1320 CB TYR 164 19.033 61.326 19.971 1.00 0.00 ATOM 1321 CG TYR 164 20.019 61.040 18.875 1.00 0.00 ATOM 1322 CD1 TYR 164 21.396 61.079 19.145 1.00 0.00 ATOM 1323 CD2 TYR 164 19.606 60.644 17.608 1.00 0.00 ATOM 1324 CE1 TYR 164 22.336 60.766 18.171 1.00 0.00 ATOM 1325 CE2 TYR 164 20.547 60.317 16.619 1.00 0.00 ATOM 1326 CZ TYR 164 21.912 60.392 16.917 1.00 0.00 ATOM 1327 OH TYR 164 22.853 60.076 15.971 1.00 0.00 ATOM 1328 O TYR 164 16.773 60.840 21.820 1.00 0.00 ATOM 1329 C TYR 164 17.906 60.405 22.024 1.00 0.00 ATOM 1330 N MET 165 18.411 60.189 23.251 1.00 0.00 ATOM 1331 CA MET 165 17.639 60.479 24.469 1.00 0.00 ATOM 1332 CB MET 165 18.373 60.050 25.746 1.00 0.00 ATOM 1333 CG MET 165 18.505 58.563 25.881 1.00 0.00 ATOM 1334 SD MET 165 16.810 57.577 25.828 1.00 0.00 ATOM 1335 CE MET 165 15.875 58.406 27.373 1.00 0.00 ATOM 1336 O MET 165 16.201 62.289 25.047 1.00 0.00 ATOM 1337 C MET 165 17.264 61.957 24.533 1.00 0.00 ATOM 1338 N GLN 166 18.123 62.824 23.972 1.00 0.00 ATOM 1339 CA GLN 166 17.905 64.291 24.003 1.00 0.00 ATOM 1340 CB GLN 166 19.223 65.070 23.718 1.00 0.00 ATOM 1341 CG GLN 166 20.345 65.018 24.810 1.00 0.00 ATOM 1342 CD GLN 166 21.699 65.581 24.286 1.00 0.00 ATOM 1343 OE1 GLN 166 21.868 65.794 23.076 1.00 0.00 ATOM 1344 NE2 GLN 166 22.638 65.840 25.193 1.00 0.00 ATOM 1345 O GLN 166 16.340 65.915 23.101 1.00 0.00 ATOM 1346 C GLN 166 16.805 64.761 23.027 1.00 0.00 ATOM 1347 N VAL 167 16.388 63.891 22.109 1.00 0.00 ATOM 1348 CA VAL 167 15.440 64.312 21.058 1.00 0.00 ATOM 1349 CB VAL 167 15.910 63.876 19.637 1.00 0.00 ATOM 1350 CG1 VAL 167 14.904 64.287 18.553 1.00 0.00 ATOM 1351 CG2 VAL 167 17.302 64.428 19.337 1.00 0.00 ATOM 1352 O VAL 167 13.985 62.467 21.471 1.00 0.00 ATOM 1353 C VAL 167 14.088 63.694 21.308 1.00 0.00 ATOM 1354 N GLU 168 13.063 64.539 21.323 1.00 0.00 ATOM 1355 CA GLU 168 11.684 64.066 21.377 1.00 0.00 ATOM 1356 CB GLU 168 10.933 64.687 22.574 1.00 0.00 ATOM 1357 CG GLU 168 9.482 64.190 22.657 1.00 0.00 ATOM 1358 CD GLU 168 8.742 64.680 23.877 1.00 0.00 ATOM 1359 OE1 GLU 168 9.059 65.759 24.420 1.00 0.00 ATOM 1360 OE2 GLU 168 7.829 63.935 24.320 1.00 0.00 ATOM 1361 O GLU 168 10.973 65.634 19.712 1.00 0.00 ATOM 1362 C GLU 168 10.976 64.457 20.071 1.00 0.00 ATOM 1363 N PHE 169 10.370 63.474 19.397 1.00 0.00 ATOM 1364 CA PHE 169 9.497 63.741 18.250 1.00 0.00 ATOM 1365 CB PHE 169 9.251 62.451 17.467 1.00 0.00 ATOM 1366 CG PHE 169 8.378 62.621 16.253 1.00 0.00 ATOM 1367 CD1 PHE 169 8.851 63.275 15.123 1.00 0.00 ATOM 1368 CD2 PHE 169 7.099 62.082 16.250 1.00 0.00 ATOM 1369 CE1 PHE 169 8.046 63.403 14.002 1.00 0.00 ATOM 1370 CE2 PHE 169 6.283 62.211 15.146 1.00 0.00 ATOM 1371 CZ PHE 169 6.751 62.869 14.023 1.00 0.00 ATOM 1372 O PHE 169 7.587 63.826 19.726 1.00 0.00 ATOM 1373 C PHE 169 8.183 64.326 18.753 1.00 0.00 ATOM 1374 N VAL 170 7.743 65.386 18.082 1.00 0.00 ATOM 1375 CA VAL 170 6.544 66.109 18.493 1.00 0.00 ATOM 1376 CB VAL 170 6.859 67.605 18.785 1.00 0.00 ATOM 1377 CG1 VAL 170 5.559 68.336 19.209 1.00 0.00 ATOM 1378 CG2 VAL 170 7.936 67.722 19.882 1.00 0.00 ATOM 1379 O VAL 170 5.596 66.632 16.328 1.00 0.00 ATOM 1380 C VAL 170 5.496 65.969 17.377 1.00 0.00 ATOM 1381 N PRO 171 4.501 65.096 17.585 1.00 0.00 ATOM 1382 CA PRO 171 3.533 64.820 16.535 1.00 0.00 ATOM 1383 CB PRO 171 2.968 63.459 16.925 1.00 0.00 ATOM 1384 CG PRO 171 3.046 63.421 18.415 1.00 0.00 ATOM 1385 CD PRO 171 4.275 64.270 18.797 1.00 0.00 ATOM 1386 O PRO 171 1.456 65.755 17.258 1.00 0.00 ATOM 1387 C PRO 171 2.446 65.861 16.511 1.00 0.00 ATOM 1388 N VAL 172 2.640 66.872 15.670 1.00 0.00 ATOM 1389 CA VAL 172 1.621 67.933 15.513 1.00 0.00 ATOM 1390 CB VAL 172 2.215 69.361 15.723 1.00 0.00 ATOM 1391 CG1 VAL 172 2.633 69.552 17.205 1.00 0.00 ATOM 1392 CG2 VAL 172 3.361 69.633 14.746 1.00 0.00 ATOM 1393 O VAL 172 -0.196 68.560 14.049 1.00 0.00 ATOM 1394 C VAL 172 0.835 67.859 14.200 1.00 0.00 ATOM 1395 N PHE 173 1.279 67.015 13.266 1.00 0.00 ATOM 1396 CA PHE 173 0.613 66.877 11.953 1.00 0.00 ATOM 1397 CB PHE 173 1.252 65.679 11.222 1.00 0.00 ATOM 1398 CG PHE 173 0.671 65.367 9.858 1.00 0.00 ATOM 1399 CD1 PHE 173 1.325 65.772 8.694 1.00 0.00 ATOM 1400 CD2 PHE 173 -0.504 64.627 9.746 1.00 0.00 ATOM 1401 CE1 PHE 173 0.813 65.459 7.446 1.00 0.00 ATOM 1402 CE2 PHE 173 -1.028 64.317 8.500 1.00 0.00 ATOM 1403 CZ PHE 173 -0.371 64.759 7.334 1.00 0.00 ATOM 1404 O PHE 173 -1.688 67.375 11.475 1.00 0.00 ATOM 1405 C PHE 173 -0.890 66.679 12.113 1.00 0.00 ATOM 1406 N ASP 174 -1.283 65.719 12.949 1.00 0.00 ATOM 1407 CA ASP 174 -2.710 65.378 13.054 1.00 0.00 ATOM 1408 CB ASP 174 -2.926 64.090 13.856 1.00 0.00 ATOM 1409 CG ASP 174 -2.424 62.860 13.148 1.00 0.00 ATOM 1410 OD1 ASP 174 -2.344 62.831 11.897 1.00 0.00 ATOM 1411 OD2 ASP 174 -2.134 61.870 13.859 1.00 0.00 ATOM 1412 O ASP 174 -4.827 66.472 13.496 1.00 0.00 ATOM 1413 C ASP 174 -3.593 66.485 13.663 1.00 0.00 ATOM 1414 N CYS 175 -2.959 67.407 14.383 1.00 0.00 ATOM 1415 CA CYS 175 -3.653 68.538 14.995 1.00 0.00 ATOM 1416 CB CYS 175 -2.769 69.233 16.040 1.00 0.00 ATOM 1417 SG CYS 175 -2.359 68.164 17.489 1.00 0.00 ATOM 1418 O CYS 175 -4.955 70.382 14.202 1.00 0.00 ATOM 1419 C CYS 175 -4.079 69.548 13.944 1.00 0.00 ATOM 1420 N LEU 176 -3.466 69.474 12.757 1.00 0.00 ATOM 1421 CA LEU 176 -3.687 70.513 11.762 1.00 0.00 ATOM 1422 CB LEU 176 -2.345 71.104 11.333 1.00 0.00 ATOM 1423 CG LEU 176 -1.542 71.773 12.444 1.00 0.00 ATOM 1424 CD1 LEU 176 -0.190 72.271 11.955 1.00 0.00 ATOM 1425 CD2 LEU 176 -2.296 72.928 13.048 1.00 0.00 ATOM 1426 O LEU 176 -4.717 70.888 9.626 1.00 0.00 ATOM 1427 C LEU 176 -4.497 70.077 10.530 1.00 0.00 ATOM 1428 N THR 177 -4.910 68.801 10.513 1.00 0.00 ATOM 1429 CA THR 177 -5.606 68.214 9.360 1.00 0.00 ATOM 1430 CB THR 177 -5.246 66.735 9.155 1.00 0.00 ATOM 1431 CG2 THR 177 -3.800 66.585 8.765 1.00 0.00 ATOM 1432 OG1 THR 177 -5.455 66.031 10.376 1.00 0.00 ATOM 1433 O THR 177 -7.675 68.304 10.596 1.00 0.00 ATOM 1434 C THR 177 -7.132 68.279 9.480 1.00 0.00 ATOM 1435 N ASP 178 -7.788 68.336 8.325 1.00 0.00 ATOM 1436 CA ASP 178 -9.246 68.262 8.228 1.00 0.00 ATOM 1437 CB ASP 178 -9.752 69.127 7.070 1.00 0.00 ATOM 1438 CG ASP 178 -9.303 68.639 5.709 1.00 0.00 ATOM 1439 OD1 ASP 178 -8.851 67.477 5.593 1.00 0.00 ATOM 1440 OD2 ASP 178 -9.395 69.445 4.749 1.00 0.00 ATOM 1441 O ASP 178 -8.795 65.891 8.227 1.00 0.00 ATOM 1442 C ASP 178 -9.655 66.797 8.097 1.00 0.00 ATOM 1443 N GLN 179 -10.943 66.541 7.840 1.00 0.00 ATOM 1444 CA GLN 179 -11.427 65.157 7.784 1.00 0.00 ATOM 1445 CB GLN 179 -12.965 65.100 7.778 1.00 0.00 ATOM 1446 CG GLN 179 -13.561 65.483 6.442 1.00 0.00 ATOM 1447 CD GLN 179 -14.988 65.023 6.270 1.00 0.00 ATOM 1448 OE1 GLN 179 -15.363 63.927 6.697 1.00 0.00 ATOM 1449 NE2 GLN 179 -15.796 65.858 5.630 1.00 0.00 ATOM 1450 O GLN 179 -10.789 63.143 6.626 1.00 0.00 ATOM 1451 C GLN 179 -10.830 64.381 6.603 1.00 0.00 ATOM 1452 N ALA 180 -10.389 65.103 5.571 1.00 0.00 ATOM 1453 CA ALA 180 -9.761 64.512 4.385 1.00 0.00 ATOM 1454 CB ALA 180 -10.081 65.347 3.145 1.00 0.00 ATOM 1455 O ALA 180 -7.561 63.929 3.622 1.00 0.00 ATOM 1456 C ALA 180 -8.238 64.372 4.544 1.00 0.00 ATOM 1457 N GLY 181 -7.716 64.728 5.712 1.00 0.00 ATOM 1458 CA GLY 181 -6.282 64.608 5.966 1.00 0.00 ATOM 1459 O GLY 181 -4.208 65.559 5.230 1.00 0.00 ATOM 1460 C GLY 181 -5.436 65.701 5.338 1.00 0.00 ATOM 1461 N GLN 182 -6.091 66.776 4.908 1.00 0.00 ATOM 1462 CA GLN 182 -5.428 67.955 4.365 1.00 0.00 ATOM 1463 CB GLN 182 -6.301 68.608 3.273 1.00 0.00 ATOM 1464 CG GLN 182 -6.621 67.740 2.040 1.00 0.00 ATOM 1465 CD GLN 182 -5.402 67.079 1.454 1.00 0.00 ATOM 1466 OE1 GLN 182 -4.424 67.734 1.111 1.00 0.00 ATOM 1467 NE2 GLN 182 -5.456 65.760 1.327 1.00 0.00 ATOM 1468 O GLN 182 -6.007 68.998 6.433 1.00 0.00 ATOM 1469 C GLN 182 -5.230 68.978 5.478 1.00 0.00 ATOM 1470 N LEU 183 -4.235 69.852 5.340 1.00 0.00 ATOM 1471 CA LEU 183 -4.155 71.053 6.188 1.00 0.00 ATOM 1472 CB LEU 183 -2.968 71.939 5.745 1.00 0.00 ATOM 1473 CG LEU 183 -2.719 73.262 6.490 1.00 0.00 ATOM 1474 CD1 LEU 183 -2.367 73.006 7.963 1.00 0.00 ATOM 1475 CD2 LEU 183 -1.615 74.032 5.776 1.00 0.00 ATOM 1476 O LEU 183 -5.901 72.215 5.034 1.00 0.00 ATOM 1477 C LEU 183 -5.472 71.827 6.116 1.00 0.00 ATOM 1478 N LYS 184 -6.087 72.083 7.277 1.00 0.00 ATOM 1479 CA LYS 184 -7.410 72.733 7.293 1.00 0.00 ATOM 1480 CB LYS 184 -7.870 73.072 8.694 1.00 0.00 ATOM 1481 CG LYS 184 -8.201 71.915 9.551 1.00 0.00 ATOM 1482 CD LYS 184 -9.036 72.402 10.736 1.00 0.00 ATOM 1483 CE LYS 184 -8.942 71.374 11.854 1.00 0.00 ATOM 1484 NZ LYS 184 -9.642 71.827 13.076 1.00 0.00 ATOM 1485 O LYS 184 -6.486 74.860 6.766 1.00 0.00 ATOM 1486 C LYS 184 -7.391 74.053 6.565 1.00 0.00 ATOM 1487 N LYS 185 -8.413 74.301 5.761 1.00 0.00 ATOM 1488 CA LYS 185 -8.479 75.551 5.014 1.00 0.00 ATOM 1489 CB LYS 185 -9.725 75.559 4.103 1.00 0.00 ATOM 1490 CG LYS 185 -10.155 76.907 3.554 1.00 0.00 ATOM 1491 CD LYS 185 -11.232 77.479 4.445 1.00 0.00 ATOM 1492 CE LYS 185 -12.147 78.431 3.738 1.00 0.00 ATOM 1493 NZ LYS 185 -13.174 78.927 4.718 1.00 0.00 ATOM 1494 O LYS 185 -7.642 77.752 5.542 1.00 0.00 ATOM 1495 C LYS 185 -8.340 76.805 5.908 1.00 0.00 ATOM 1496 N GLU 186 -8.995 76.847 7.062 1.00 0.00 ATOM 1497 CA GLU 186 -8.860 78.043 7.895 1.00 0.00 ATOM 1498 CB GLU 186 -9.998 78.190 8.915 1.00 0.00 ATOM 1499 CG GLU 186 -11.308 78.720 8.344 1.00 0.00 ATOM 1500 CD GLU 186 -11.215 80.146 7.805 1.00 0.00 ATOM 1501 OE1 GLU 186 -10.839 81.078 8.554 1.00 0.00 ATOM 1502 OE2 GLU 186 -11.541 80.320 6.619 1.00 0.00 ATOM 1503 O GLU 186 -7.172 79.165 9.180 1.00 0.00 ATOM 1504 C GLU 186 -7.492 78.126 8.589 1.00 0.00 ATOM 1505 N TYR 187 -6.706 77.044 8.550 1.00 0.00 ATOM 1506 CA TYR 187 -5.359 77.084 9.151 1.00 0.00 ATOM 1507 CB TYR 187 -4.948 75.728 9.736 1.00 0.00 ATOM 1508 CG TYR 187 -5.722 75.273 10.957 1.00 0.00 ATOM 1509 CD1 TYR 187 -6.579 76.132 11.623 1.00 0.00 ATOM 1510 CD2 TYR 187 -5.534 73.989 11.464 1.00 0.00 ATOM 1511 CE1 TYR 187 -7.264 75.706 12.752 1.00 0.00 ATOM 1512 CE2 TYR 187 -6.204 73.550 12.575 1.00 0.00 ATOM 1513 CZ TYR 187 -7.061 74.414 13.211 1.00 0.00 ATOM 1514 OH TYR 187 -7.747 73.967 14.318 1.00 0.00 ATOM 1515 O TYR 187 -3.084 77.640 8.559 1.00 0.00 ATOM 1516 C TYR 187 -4.260 77.532 8.167 1.00 0.00 ATOM 1517 N THR 188 -4.629 77.781 6.907 1.00 0.00 ATOM 1518 CA THR 188 -3.604 78.047 5.894 1.00 0.00 ATOM 1519 CB THR 188 -3.435 76.851 4.940 1.00 0.00 ATOM 1520 CG2 THR 188 -4.636 76.719 3.988 1.00 0.00 ATOM 1521 OG1 THR 188 -2.232 77.030 4.175 1.00 0.00 ATOM 1522 O THR 188 -5.054 79.721 4.994 1.00 0.00 ATOM 1523 C THR 188 -3.892 79.312 5.118 1.00 0.00 ATOM 1524 N THR 189 -2.826 79.948 4.632 1.00 0.00 ATOM 1525 CA THR 189 -2.969 81.096 3.730 1.00 0.00 ATOM 1526 CB THR 189 -1.872 82.149 4.009 1.00 0.00 ATOM 1527 CG2 THR 189 -2.028 82.792 5.401 1.00 0.00 ATOM 1528 OG1 THR 189 -0.600 81.509 3.951 1.00 0.00 ATOM 1529 O THR 189 -3.757 81.025 1.448 1.00 0.00 ATOM 1530 C THR 189 -2.914 80.642 2.267 1.00 0.00 ATOM 1531 N ASP 190 -1.942 79.783 1.955 1.00 0.00 ATOM 1532 CA ASP 190 -1.656 79.404 0.562 1.00 0.00 ATOM 1533 CB ASP 190 -0.364 80.087 0.082 1.00 0.00 ATOM 1534 CG ASP 190 0.850 79.687 0.908 1.00 0.00 ATOM 1535 OD1 ASP 190 0.725 78.786 1.762 1.00 0.00 ATOM 1536 OD2 ASP 190 1.952 80.258 0.710 1.00 0.00 ATOM 1537 O ASP 190 -1.128 77.451 -0.716 1.00 0.00 ATOM 1538 C ASP 190 -1.557 77.893 0.354 1.00 0.00 ATOM 1539 N GLY 191 -1.966 77.115 1.357 1.00 0.00 ATOM 1540 CA GLY 191 -1.928 75.658 1.314 1.00 0.00 ATOM 1541 O GLY 191 -0.706 73.873 2.238 1.00 0.00 ATOM 1542 C GLY 191 -0.721 75.056 1.992 1.00 0.00 ATOM 1543 N LEU 192 0.273 75.899 2.296 1.00 0.00 ATOM 1544 CA LEU 192 1.531 75.469 2.889 1.00 0.00 ATOM 1545 CB LEU 192 2.676 75.659 1.877 1.00 0.00 ATOM 1546 CG LEU 192 4.118 75.473 2.334 1.00 0.00 ATOM 1547 CD1 LEU 192 4.401 74.034 2.617 1.00 0.00 ATOM 1548 CD2 LEU 192 5.071 75.926 1.213 1.00 0.00 ATOM 1549 O LEU 192 2.043 75.686 5.247 1.00 0.00 ATOM 1550 C LEU 192 1.817 76.265 4.176 1.00 0.00 ATOM 1551 N HIS 193 1.788 77.589 4.062 1.00 0.00 ATOM 1552 CA HIS 193 2.028 78.469 5.193 1.00 0.00 ATOM 1553 CB HIS 193 2.429 79.845 4.683 1.00 0.00 ATOM 1554 CG HIS 193 3.770 79.845 4.021 1.00 0.00 ATOM 1555 CD2 HIS 193 5.026 79.783 4.532 1.00 0.00 ATOM 1556 ND1 HIS 193 3.902 79.840 2.648 1.00 0.00 ATOM 1557 CE1 HIS 193 5.191 79.805 2.342 1.00 0.00 ATOM 1558 NE2 HIS 193 5.892 79.785 3.462 1.00 0.00 ATOM 1559 O HIS 193 -0.353 78.324 5.576 1.00 0.00 ATOM 1560 C HIS 193 0.779 78.568 6.049 1.00 0.00 ATOM 1561 N LEU 194 0.988 78.906 7.320 1.00 0.00 ATOM 1562 CA LEU 194 -0.130 78.980 8.253 1.00 0.00 ATOM 1563 CB LEU 194 0.309 78.541 9.658 1.00 0.00 ATOM 1564 CG LEU 194 0.913 77.136 9.713 1.00 0.00 ATOM 1565 CD1 LEU 194 1.272 76.765 11.145 1.00 0.00 ATOM 1566 CD2 LEU 194 -0.058 76.080 9.141 1.00 0.00 ATOM 1567 O LEU 194 -0.070 81.387 8.399 1.00 0.00 ATOM 1568 C LEU 194 -0.753 80.359 8.369 1.00 0.00 ATOM 1569 N SER 195 -2.069 80.371 8.517 1.00 0.00 ATOM 1570 CA SER 195 -2.785 81.572 8.906 1.00 0.00 ATOM 1571 CB SER 195 -4.269 81.394 8.617 1.00 0.00 ATOM 1572 OG SER 195 -4.742 80.342 9.427 1.00 0.00 ATOM 1573 O SER 195 -2.040 80.895 11.090 1.00 0.00 ATOM 1574 C SER 195 -2.587 81.768 10.421 1.00 0.00 ATOM 1575 N ILE 196 -3.063 82.886 10.980 1.00 0.00 ATOM 1576 CA ILE 196 -2.966 83.034 12.432 1.00 0.00 ATOM 1577 CB ILE 196 -3.337 84.484 12.880 1.00 0.00 ATOM 1578 CG1 ILE 196 -2.231 85.447 12.425 1.00 0.00 ATOM 1579 CG2 ILE 196 -3.572 84.572 14.362 1.00 0.00 ATOM 1580 CD1 ILE 196 -0.844 85.088 12.959 1.00 0.00 ATOM 1581 O ILE 196 -3.381 81.446 14.189 1.00 0.00 ATOM 1582 C ILE 196 -3.809 81.943 13.148 1.00 0.00 ATOM 1583 N ALA 197 -4.990 81.586 12.613 1.00 0.00 ATOM 1584 CA ALA 197 -5.732 80.474 13.218 1.00 0.00 ATOM 1585 CB ALA 197 -7.028 80.187 12.474 1.00 0.00 ATOM 1586 O ALA 197 -4.889 78.450 14.213 1.00 0.00 ATOM 1587 C ALA 197 -4.851 79.223 13.244 1.00 0.00 ATOM 1588 N GLY 198 -4.084 79.013 12.170 1.00 0.00 ATOM 1589 CA GLY 198 -3.224 77.824 12.091 1.00 0.00 ATOM 1590 O GLY 198 -1.795 76.915 13.804 1.00 0.00 ATOM 1591 C GLY 198 -2.107 77.894 13.116 1.00 0.00 ATOM 1592 N TYR 199 -1.494 79.064 13.229 1.00 0.00 ATOM 1593 CA TYR 199 -0.437 79.239 14.240 1.00 0.00 ATOM 1594 CB TYR 199 0.264 80.581 14.100 1.00 0.00 ATOM 1595 CG TYR 199 1.384 80.596 13.111 1.00 0.00 ATOM 1596 CD1 TYR 199 1.310 81.411 11.983 1.00 0.00 ATOM 1597 CD2 TYR 199 2.518 79.823 13.301 1.00 0.00 ATOM 1598 CE1 TYR 199 2.373 81.450 11.056 1.00 0.00 ATOM 1599 CE2 TYR 199 3.577 79.877 12.390 1.00 0.00 ATOM 1600 CZ TYR 199 3.475 80.679 11.269 1.00 0.00 ATOM 1601 OH TYR 199 4.530 80.730 10.391 1.00 0.00 ATOM 1602 O TYR 199 -0.312 78.590 16.540 1.00 0.00 ATOM 1603 C TYR 199 -0.998 79.112 15.653 1.00 0.00 ATOM 1604 N GLN 200 -2.234 79.591 15.885 1.00 0.00 ATOM 1605 CA GLN 200 -2.813 79.446 17.220 1.00 0.00 ATOM 1606 CB GLN 200 -4.119 80.217 17.310 1.00 0.00 ATOM 1607 CG GLN 200 -4.758 80.124 18.677 1.00 0.00 ATOM 1608 CD GLN 200 -6.095 80.845 18.719 1.00 0.00 ATOM 1609 OE1 GLN 200 -6.939 80.679 17.820 1.00 0.00 ATOM 1610 NE2 GLN 200 -6.288 81.671 19.757 1.00 0.00 ATOM 1611 O GLN 200 -2.805 77.491 18.626 1.00 0.00 ATOM 1612 C GLN 200 -3.035 77.949 17.509 1.00 0.00 ATOM 1613 N ALA 201 -3.500 77.198 16.502 1.00 0.00 ATOM 1614 CA ALA 201 -3.738 75.755 16.722 1.00 0.00 ATOM 1615 CB ALA 201 -4.507 75.135 15.550 1.00 0.00 ATOM 1616 O ALA 201 -2.328 74.118 17.828 1.00 0.00 ATOM 1617 C ALA 201 -2.417 75.015 16.949 1.00 0.00 ATOM 1618 N LEU 202 -1.395 75.366 16.166 1.00 0.00 ATOM 1619 CA LEU 202 -0.067 74.798 16.359 1.00 0.00 ATOM 1620 CB LEU 202 0.872 75.283 15.254 1.00 0.00 ATOM 1621 CG LEU 202 2.332 74.820 15.384 1.00 0.00 ATOM 1622 CD1 LEU 202 2.409 73.264 15.389 1.00 0.00 ATOM 1623 CD2 LEU 202 3.140 75.403 14.226 1.00 0.00 ATOM 1624 O LEU 202 0.979 74.214 18.473 1.00 0.00 ATOM 1625 C LEU 202 0.471 75.105 17.766 1.00 0.00 ATOM 1626 N SER 203 0.305 76.359 18.195 1.00 0.00 ATOM 1627 CA SER 203 0.786 76.773 19.503 1.00 0.00 ATOM 1628 CB SER 203 0.567 78.270 19.725 1.00 0.00 ATOM 1629 OG SER 203 1.262 78.990 18.713 1.00 0.00 ATOM 1630 O SER 203 0.767 75.533 21.570 1.00 0.00 ATOM 1631 C SER 203 0.113 75.966 20.612 1.00 0.00 ATOM 1632 N LYS 204 -1.191 75.762 20.460 1.00 0.00 ATOM 1633 CA LYS 204 -1.936 74.996 21.468 1.00 0.00 ATOM 1634 CB LYS 204 -3.434 75.018 21.152 1.00 0.00 ATOM 1635 CG LYS 204 -4.299 74.222 22.108 1.00 0.00 ATOM 1636 CD LYS 204 -5.746 74.298 21.658 1.00 0.00 ATOM 1637 CE LYS 204 -6.624 73.338 22.449 1.00 0.00 ATOM 1638 NZ LYS 204 -6.679 73.720 23.886 1.00 0.00 ATOM 1639 O LYS 204 -1.224 73.037 22.628 1.00 0.00 ATOM 1640 C LYS 204 -1.396 73.576 21.535 1.00 0.00 ATOM 1641 N SER 205 -1.097 72.995 20.382 1.00 0.00 ATOM 1642 CA SER 205 -0.547 71.647 20.324 1.00 0.00 ATOM 1643 CB SER 205 -0.507 71.184 18.870 1.00 0.00 ATOM 1644 OG SER 205 -0.104 69.827 18.733 1.00 0.00 ATOM 1645 O SER 205 1.217 70.476 21.511 1.00 0.00 ATOM 1646 C SER 205 0.852 71.543 20.946 1.00 0.00 ATOM 1647 N LEU 206 1.635 72.624 20.851 1.00 0.00 ATOM 1648 CA LEU 206 3.039 72.629 21.307 1.00 0.00 ATOM 1649 CB LEU 206 3.883 73.669 20.530 1.00 0.00 ATOM 1650 CG LEU 206 4.145 73.306 19.067 1.00 0.00 ATOM 1651 CD1 LEU 206 4.937 74.402 18.359 1.00 0.00 ATOM 1652 CD2 LEU 206 4.889 71.972 18.986 1.00 0.00 ATOM 1653 O LEU 206 4.204 72.636 23.401 1.00 0.00 ATOM 1654 C LEU 206 3.171 72.935 22.791 1.00 0.00 ATOM 1655 N LYS 207 2.151 73.572 23.360 1.00 0.00 ATOM 1656 CA LYS 207 2.239 74.071 24.736 1.00 0.00 ATOM 1657 CB LYS 207 0.888 74.603 25.201 1.00 0.00 ATOM 1658 CG LYS 207 0.718 76.068 24.837 1.00 0.00 ATOM 1659 CD LYS 207 -0.555 76.656 25.444 1.00 0.00 ATOM 1660 CE LYS 207 -0.890 78.002 24.780 1.00 0.00 ATOM 1661 NZ LYS 207 -1.373 77.863 23.358 1.00 0.00 ATOM 1662 O LYS 207 3.590 73.368 26.561 1.00 0.00 ATOM 1663 C LYS 207 2.750 73.041 25.724 1.00 0.00 ATOM 1664 N ASP 208 2.288 71.800 25.627 1.00 0.00 ATOM 1665 CA ASP 208 2.709 70.777 26.595 1.00 0.00 ATOM 1666 CB ASP 208 1.865 69.507 26.447 1.00 0.00 ATOM 1667 CG ASP 208 0.487 69.619 27.128 1.00 0.00 ATOM 1668 OD1 ASP 208 0.228 70.586 27.879 1.00 0.00 ATOM 1669 OD2 ASP 208 -0.346 68.723 26.895 1.00 0.00 ATOM 1670 O ASP 208 4.774 69.827 27.396 1.00 0.00 ATOM 1671 C ASP 208 4.197 70.414 26.477 1.00 0.00 ATOM 1672 N TYR 209 4.806 70.750 25.340 1.00 0.00 ATOM 1673 CA TYR 209 6.210 70.415 25.087 1.00 0.00 ATOM 1674 CB TYR 209 6.420 70.103 23.607 1.00 0.00 ATOM 1675 CG TYR 209 5.675 68.891 23.153 1.00 0.00 ATOM 1676 CD1 TYR 209 6.244 67.634 23.257 1.00 0.00 ATOM 1677 CD2 TYR 209 4.390 69.004 22.631 1.00 0.00 ATOM 1678 CE1 TYR 209 5.556 66.510 22.853 1.00 0.00 ATOM 1679 CE2 TYR 209 3.687 67.892 22.212 1.00 0.00 ATOM 1680 CZ TYR 209 4.279 66.644 22.337 1.00 0.00 ATOM 1681 OH TYR 209 3.589 65.541 21.907 1.00 0.00 ATOM 1682 O TYR 209 8.334 71.383 25.638 1.00 0.00 ATOM 1683 C TYR 209 7.122 71.568 25.465 1.00 0.00 ATOM 1684 N LEU 210 6.542 72.757 25.557 1.00 0.00 ATOM 1685 CA LEU 210 7.296 73.986 25.854 1.00 0.00 ATOM 1686 CB LEU 210 6.613 75.214 25.224 1.00 0.00 ATOM 1687 CG LEU 210 7.170 75.926 23.992 1.00 0.00 ATOM 1688 CD1 LEU 210 6.322 77.127 23.712 1.00 0.00 ATOM 1689 CD2 LEU 210 8.565 76.397 24.247 1.00 0.00 ATOM 1690 O LEU 210 8.492 74.587 27.845 1.00 0.00 ATOM 1691 C LEU 210 7.421 74.203 27.362 1.00 0.00 ATOM 1692 N TYR 211 6.324 73.944 28.085 1.00 0.00 ATOM 1693 CA TYR 211 6.167 74.274 29.520 1.00 0.00 ATOM 1694 CB TYR 211 4.996 75.250 29.725 1.00 0.00 ATOM 1695 CG TYR 211 5.084 76.493 28.878 1.00 0.00 ATOM 1696 CD1 TYR 211 5.959 77.525 29.221 1.00 0.00 ATOM 1697 CD2 TYR 211 4.308 76.632 27.720 1.00 0.00 ATOM 1698 CE1 TYR 211 6.060 78.681 28.434 1.00 0.00 ATOM 1699 CE2 TYR 211 4.397 77.774 26.933 1.00 0.00 ATOM 1700 CZ TYR 211 5.273 78.795 27.296 1.00 0.00 ATOM 1701 OH TYR 211 5.384 79.919 26.523 1.00 0.00 ATOM 1702 O TYR 211 5.216 72.108 29.891 1.00 0.00 ATOM 1703 C TYR 211 5.916 73.018 30.348 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 T0297.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0297)I95.C and (T0297)K97.C only 0.000 apart, marking (T0297)K97.C as missing WARNING: atoms too close: (T0297)G96.N and (T0297)D98.N only 0.000 apart, marking (T0297)G96.N as missing WARNING: atoms too close: (T0297)G96.CA and (T0297)D98.CA only 0.000 apart, marking (T0297)G96.CA as missing WARNING: atoms too close: (T0297)R135.C and (T0297)V142.C only 0.000 apart, marking (T0297)V142.C as missing WARNING: atoms too close: (T0297)E136.N and (T0297)Y143.N only 0.000 apart, marking (T0297)E136.N as missing WARNING: atoms too close: (T0297)E136.CA and (T0297)Y143.CA only 0.000 apart, marking (T0297)E136.CA as missing # WARNING: incomplete conformation T0297 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 = 0.872 # GDT_score = -62.915 # GDT_score(maxd=8.000,maxw=2.900)= -65.204 # GDT_score(maxd=8.000,maxw=3.200)= -62.179 # GDT_score(maxd=8.000,maxw=3.500)= -59.142 # GDT_score(maxd=10.000,maxw=3.800)= -61.520 # GDT_score(maxd=10.000,maxw=4.000)= -59.637 # GDT_score(maxd=10.000,maxw=4.200)= -57.749 # GDT_score(maxd=12.000,maxw=4.300)= -60.881 # GDT_score(maxd=12.000,maxw=4.500)= -59.026 # GDT_score(maxd=12.000,maxw=4.700)= -57.194 # GDT_score(maxd=14.000,maxw=5.200)= -56.048 # GDT_score(maxd=14.000,maxw=5.500)= -53.545 # command:# ReadConformPDB reading from PDB file T0297.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0297)D118.C and (T0297)P120.C only 0.000 apart, marking (T0297)P120.C as missing WARNING: atoms too close: (T0297)Y119.N and (T0297)L121.N only 0.000 apart, marking (T0297)Y119.N as missing WARNING: atoms too close: (T0297)Y119.CA and (T0297)L121.CA only 0.000 apart, marking (T0297)Y119.CA as missing WARNING: atoms too close: (T0297)Q139.C and (T0297)I150.C only 0.000 apart, marking (T0297)I150.C as missing WARNING: atoms too close: (T0297)Q140.N and (T0297)Q151.N only 0.000 apart, marking (T0297)Q140.N as missing WARNING: atoms too close: (T0297)Q140.CA and (T0297)Q151.CA only 0.000 apart, marking (T0297)Q140.CA as missing WARNING: atoms too close: (T0297)Y164.C and (T0297)M165.C only 0.000 apart, marking (T0297)M165.C as missing WARNING: atoms too close: (T0297)M165.N and (T0297)Q166.N only 0.000 apart, marking (T0297)M165.N as missing WARNING: atoms too close: (T0297)M165.CA and (T0297)Q166.CA only 0.000 apart, marking (T0297)M165.CA as missing WARNING: atoms too close: (T0297)V172.C and (T0297)C175.C only 0.000 apart, marking (T0297)C175.C as missing WARNING: atoms too close: (T0297)F173.N and (T0297)L176.N only 0.000 apart, marking (T0297)F173.N as missing WARNING: atoms too close: (T0297)F173.CA and (T0297)L176.CA only 0.000 apart, marking (T0297)F173.CA as missing # WARNING: incomplete conformation T0297 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 = 0.773 # GDT_score = -51.303 # GDT_score(maxd=8.000,maxw=2.900)= -53.882 # GDT_score(maxd=8.000,maxw=3.200)= -51.177 # GDT_score(maxd=8.000,maxw=3.500)= -48.601 # GDT_score(maxd=10.000,maxw=3.800)= -50.902 # GDT_score(maxd=10.000,maxw=4.000)= -49.281 # GDT_score(maxd=10.000,maxw=4.200)= -47.743 # GDT_score(maxd=12.000,maxw=4.300)= -50.606 # GDT_score(maxd=12.000,maxw=4.500)= -49.097 # GDT_score(maxd=12.000,maxw=4.700)= -47.636 # GDT_score(maxd=14.000,maxw=5.200)= -47.006 # GDT_score(maxd=14.000,maxw=5.500)= -45.049 # command:# ReadConformPDB reading from PDB file T0297.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0297)V115.C and (T0297)P120.C only 0.000 apart, marking (T0297)P120.C as missing WARNING: atoms too close: (T0297)A116.N and (T0297)L121.N only 0.000 apart, marking (T0297)A116.N as missing WARNING: atoms too close: (T0297)A116.CA and (T0297)L121.CA only 0.000 apart, marking (T0297)A116.CA as missing WARNING: atoms too close: (T0297)Q139.C and (T0297)S146.C only 0.000 apart, marking (T0297)S146.C as missing WARNING: atoms too close: (T0297)Q140.N and (T0297)N147.N only 0.000 apart, marking (T0297)Q140.N as missing WARNING: atoms too close: (T0297)Q140.CA and (T0297)N147.CA only 0.000 apart, marking (T0297)Q140.CA as missing WARNING: atoms too close: (T0297)Y164.C and (T0297)M165.C only 0.000 apart, marking (T0297)M165.C as missing WARNING: atoms too close: (T0297)M165.N and (T0297)Q166.N only 0.000 apart, marking (T0297)M165.N as missing WARNING: atoms too close: (T0297)M165.CA and (T0297)Q166.CA only 0.000 apart, marking (T0297)M165.CA as missing WARNING: atoms too close: (T0297)Q182.C and (T0297)L183.C only 0.000 apart, marking (T0297)L183.C as missing WARNING: atoms too close: (T0297)L183.N and (T0297)K184.N only 0.000 apart, marking (T0297)L183.N as missing WARNING: atoms too close: (T0297)L183.CA and (T0297)K184.CA only 0.000 apart, marking (T0297)L183.CA as missing # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0297.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0297)D118.C and (T0297)P120.C only 0.000 apart, marking (T0297)P120.C as missing WARNING: atoms too close: (T0297)Y119.N and (T0297)L121.N only 0.000 apart, marking (T0297)Y119.N as missing WARNING: atoms too close: (T0297)Y119.CA and (T0297)L121.CA only 0.000 apart, marking (T0297)Y119.CA as missing WARNING: atoms too close: (T0297)S146.C and (T0297)I150.C only 0.000 apart, marking (T0297)I150.C as missing WARNING: atoms too close: (T0297)N147.N and (T0297)Q151.N only 0.000 apart, marking (T0297)N147.N as missing WARNING: atoms too close: (T0297)N147.CA and (T0297)Q151.CA only 0.000 apart, marking (T0297)N147.CA as missing WARNING: atoms too close: (T0297)Y164.C and (T0297)M165.C only 0.000 apart, marking (T0297)M165.C as missing WARNING: atoms too close: (T0297)M165.N and (T0297)Q166.N only 0.000 apart, marking (T0297)M165.N as missing WARNING: atoms too close: (T0297)M165.CA and (T0297)Q166.CA only 0.000 apart, marking (T0297)M165.CA as missing # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0297.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0297)N25.C and (T0297)H26.C only 0.000 apart, marking (T0297)H26.C as missing WARNING: atoms too close: (T0297)H26.N and (T0297)I27.N only 0.000 apart, marking (T0297)H26.N as missing WARNING: atoms too close: (T0297)H26.CA and (T0297)I27.CA only 0.000 apart, marking (T0297)H26.CA as missing WARNING: atoms too close: (T0297)I27.C and (T0297)E31.C only 0.000 apart, marking (T0297)E31.C as missing WARNING: atoms too close: (T0297)S28.N and (T0297)P32.N only 0.000 apart, marking (T0297)S28.N as missing WARNING: atoms too close: (T0297)S28.CA and (T0297)P32.CA only 0.000 apart, marking (T0297)S28.CA as missing WARNING: atoms too close: (T0297)E136.C and (T0297)V142.C only 0.000 apart, marking (T0297)V142.C as missing WARNING: atoms too close: (T0297)E137.N and (T0297)Y143.N only 0.000 apart, marking (T0297)E137.N as missing WARNING: atoms too close: (T0297)E137.CA and (T0297)Y143.CA only 0.000 apart, marking (T0297)E137.CA as missing WARNING: atoms too close: (T0297)Y164.C and (T0297)M165.C only 0.000 apart, marking (T0297)M165.C as missing WARNING: atoms too close: (T0297)M165.N and (T0297)Q166.N only 0.000 apart, marking (T0297)M165.N as missing WARNING: atoms too close: (T0297)M165.CA and (T0297)Q166.CA only 0.000 apart, marking (T0297)M165.CA as missing # WARNING: incomplete conformation T0297 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 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file T0297.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 174 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 175 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 175 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 99 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 175 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 175 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try3-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 T0297.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try4-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 T0297.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try5-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 T0297.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0297.try6-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 servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_198044051.pdb -s /var/tmp/to_scwrl_198044051.seq -o /var/tmp/from_scwrl_198044051.pdb > /var/tmp/scwrl_198044051.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_198044051.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 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_2128994639.pdb -s /var/tmp/to_scwrl_2128994639.seq -o /var/tmp/from_scwrl_2128994639.pdb > /var/tmp/scwrl_2128994639.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2128994639.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS3.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_227257032.pdb -s /var/tmp/to_scwrl_227257032.seq -o /var/tmp/from_scwrl_227257032.pdb > /var/tmp/scwrl_227257032.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_227257032.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 # Found a chain break before 188 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1775852107.pdb -s /var/tmp/to_scwrl_1775852107.seq -o /var/tmp/from_scwrl_1775852107.pdb > /var/tmp/scwrl_1775852107.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1775852107.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 # Found a chain break before 166 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1141699113.pdb -s /var/tmp/to_scwrl_1141699113.seq -o /var/tmp/from_scwrl_1141699113.pdb > /var/tmp/scwrl_1141699113.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1141699113.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 T0297 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_315052234.pdb -s /var/tmp/to_scwrl_315052234.seq -o /var/tmp/from_scwrl_315052234.pdb > /var/tmp/scwrl_315052234.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_315052234.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 T0297 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1343582450.pdb -s /var/tmp/to_scwrl_1343582450.seq -o /var/tmp/from_scwrl_1343582450.pdb > /var/tmp/scwrl_1343582450.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1343582450.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 T0297 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1837198914.pdb -s /var/tmp/to_scwrl_1837198914.seq -o /var/tmp/from_scwrl_1837198914.pdb > /var/tmp/scwrl_1837198914.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1837198914.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 T0297 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1045841520.pdb -s /var/tmp/to_scwrl_1045841520.seq -o /var/tmp/from_scwrl_1045841520.pdb > /var/tmp/scwrl_1045841520.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1045841520.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 T0297 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1144866257.pdb -s /var/tmp/to_scwrl_1144866257.seq -o /var/tmp/from_scwrl_1144866257.pdb > /var/tmp/scwrl_1144866257.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1144866257.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 T0297 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_421500955.pdb -s /var/tmp/to_scwrl_421500955.seq -o /var/tmp/from_scwrl_421500955.pdb > /var/tmp/scwrl_421500955.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_421500955.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS2.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_420167208.pdb -s /var/tmp/to_scwrl_420167208.seq -o /var/tmp/from_scwrl_420167208.pdb > /var/tmp/scwrl_420167208.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_420167208.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 T0297 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1612436456.pdb -s /var/tmp/to_scwrl_1612436456.seq -o /var/tmp/from_scwrl_1612436456.pdb > /var/tmp/scwrl_1612436456.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1612436456.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 T0297 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1652185819.pdb -s /var/tmp/to_scwrl_1652185819.seq -o /var/tmp/from_scwrl_1652185819.pdb > /var/tmp/scwrl_1652185819.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1652185819.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 T0297 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1885836161.pdb -s /var/tmp/to_scwrl_1885836161.seq -o /var/tmp/from_scwrl_1885836161.pdb > /var/tmp/scwrl_1885836161.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1885836161.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 157 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1480341302.pdb -s /var/tmp/to_scwrl_1480341302.seq -o /var/tmp/from_scwrl_1480341302.pdb > /var/tmp/scwrl_1480341302.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1480341302.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 157 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_804061055.pdb -s /var/tmp/to_scwrl_804061055.seq -o /var/tmp/from_scwrl_804061055.pdb > /var/tmp/scwrl_804061055.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_804061055.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 205 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1296231510.pdb -s /var/tmp/to_scwrl_1296231510.seq -o /var/tmp/from_scwrl_1296231510.pdb > /var/tmp/scwrl_1296231510.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1296231510.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 134 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_761185173.pdb -s /var/tmp/to_scwrl_761185173.seq -o /var/tmp/from_scwrl_761185173.pdb > /var/tmp/scwrl_761185173.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_761185173.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 195 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1415228295.pdb -s /var/tmp/to_scwrl_1415228295.seq -o /var/tmp/from_scwrl_1415228295.pdb > /var/tmp/scwrl_1415228295.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1415228295.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 176 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1856811324.pdb -s /var/tmp/to_scwrl_1856811324.seq -o /var/tmp/from_scwrl_1856811324.pdb > /var/tmp/scwrl_1856811324.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1856811324.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 200 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1261816178.pdb -s /var/tmp/to_scwrl_1261816178.seq -o /var/tmp/from_scwrl_1261816178.pdb > /var/tmp/scwrl_1261816178.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1261816178.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 182 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1201732178.pdb -s /var/tmp/to_scwrl_1201732178.seq -o /var/tmp/from_scwrl_1201732178.pdb > /var/tmp/scwrl_1201732178.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1201732178.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 178 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_170616667.pdb -s /var/tmp/to_scwrl_170616667.seq -o /var/tmp/from_scwrl_170616667.pdb > /var/tmp/scwrl_170616667.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_170616667.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 194 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_243480569.pdb -s /var/tmp/to_scwrl_243480569.seq -o /var/tmp/from_scwrl_243480569.pdb > /var/tmp/scwrl_243480569.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_243480569.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 164 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_382441921.pdb -s /var/tmp/to_scwrl_382441921.seq -o /var/tmp/from_scwrl_382441921.pdb > /var/tmp/scwrl_382441921.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_382441921.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 59 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1627177296.pdb -s /var/tmp/to_scwrl_1627177296.seq -o /var/tmp/from_scwrl_1627177296.pdb > /var/tmp/scwrl_1627177296.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1627177296.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 145 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_969940314.pdb -s /var/tmp/to_scwrl_969940314.seq -o /var/tmp/from_scwrl_969940314.pdb > /var/tmp/scwrl_969940314.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_969940314.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 178 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_417278521.pdb -s /var/tmp/to_scwrl_417278521.seq -o /var/tmp/from_scwrl_417278521.pdb > /var/tmp/scwrl_417278521.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_417278521.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 178 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_220246730.pdb -s /var/tmp/to_scwrl_220246730.seq -o /var/tmp/from_scwrl_220246730.pdb > /var/tmp/scwrl_220246730.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_220246730.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 178 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1726961048.pdb -s /var/tmp/to_scwrl_1726961048.seq -o /var/tmp/from_scwrl_1726961048.pdb > /var/tmp/scwrl_1726961048.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1726961048.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 183 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_615322572.pdb -s /var/tmp/to_scwrl_615322572.seq -o /var/tmp/from_scwrl_615322572.pdb > /var/tmp/scwrl_615322572.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_615322572.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_201757723.pdb -s /var/tmp/to_scwrl_201757723.seq -o /var/tmp/from_scwrl_201757723.pdb > /var/tmp/scwrl_201757723.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_201757723.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1954218081.pdb -s /var/tmp/to_scwrl_1954218081.seq -o /var/tmp/from_scwrl_1954218081.pdb > /var/tmp/scwrl_1954218081.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1954218081.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 T0297 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_243691033.pdb -s /var/tmp/to_scwrl_243691033.seq -o /var/tmp/from_scwrl_243691033.pdb > /var/tmp/scwrl_243691033.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_243691033.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1343456836.pdb -s /var/tmp/to_scwrl_1343456836.seq -o /var/tmp/from_scwrl_1343456836.pdb > /var/tmp/scwrl_1343456836.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1343456836.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 T0297 can't currently be optimized by undertaker # naming current conformation CPHmodels_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_121786668.pdb -s /var/tmp/to_scwrl_121786668.seq -o /var/tmp/from_scwrl_121786668.pdb > /var/tmp/scwrl_121786668.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_121786668.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 # Found a chain break before 182 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1587273483.pdb -s /var/tmp/to_scwrl_1587273483.seq -o /var/tmp/from_scwrl_1587273483.pdb > /var/tmp/scwrl_1587273483.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1587273483.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 172 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1033172104.pdb -s /var/tmp/to_scwrl_1033172104.seq -o /var/tmp/from_scwrl_1033172104.pdb > /var/tmp/scwrl_1033172104.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1033172104.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS2-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1167628187.pdb -s /var/tmp/to_scwrl_1167628187.seq -o /var/tmp/from_scwrl_1167628187.pdb > /var/tmp/scwrl_1167628187.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1167628187.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS3-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_584656094.pdb -s /var/tmp/to_scwrl_584656094.seq -o /var/tmp/from_scwrl_584656094.pdb > /var/tmp/scwrl_584656094.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_584656094.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 T0297 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1454673059.pdb -s /var/tmp/to_scwrl_1454673059.seq -o /var/tmp/from_scwrl_1454673059.pdb > /var/tmp/scwrl_1454673059.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1454673059.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 T0297 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1587795395.pdb -s /var/tmp/to_scwrl_1587795395.seq -o /var/tmp/from_scwrl_1587795395.pdb > /var/tmp/scwrl_1587795395.log Error: Couldn't open file /var/tmp/from_scwrl_1587795395.pdb or /var/tmp/from_scwrl_1587795395.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1587795395_b.pdb or decoys//var/tmp/from_scwrl_1587795395_b.pdb.gz for input Trying /var/tmp/from_scwrl_1587795395_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1587795395_b.pdb or /var/tmp/from_scwrl_1587795395_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1587795395_a.pdb or decoys//var/tmp/from_scwrl_1587795395_a.pdb.gz for input Trying /var/tmp/from_scwrl_1587795395_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1587795395_a.pdb or /var/tmp/from_scwrl_1587795395_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1587795395.pdb or /var/tmp/from_scwrl_1587795395_b.pdb or /var/tmp/from_scwrl_1587795395_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 T0297 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_49608903.pdb -s /var/tmp/to_scwrl_49608903.seq -o /var/tmp/from_scwrl_49608903.pdb > /var/tmp/scwrl_49608903.log Error: Couldn't open file /var/tmp/from_scwrl_49608903.pdb or /var/tmp/from_scwrl_49608903.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_49608903_b.pdb or decoys//var/tmp/from_scwrl_49608903_b.pdb.gz for input Trying /var/tmp/from_scwrl_49608903_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_49608903_b.pdb or /var/tmp/from_scwrl_49608903_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_49608903_a.pdb or decoys//var/tmp/from_scwrl_49608903_a.pdb.gz for input Trying /var/tmp/from_scwrl_49608903_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_49608903_a.pdb or /var/tmp/from_scwrl_49608903_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_49608903.pdb or /var/tmp/from_scwrl_49608903_b.pdb or /var/tmp/from_scwrl_49608903_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 T0297 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_959375232.pdb -s /var/tmp/to_scwrl_959375232.seq -o /var/tmp/from_scwrl_959375232.pdb > /var/tmp/scwrl_959375232.log Error: Couldn't open file /var/tmp/from_scwrl_959375232.pdb or /var/tmp/from_scwrl_959375232.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_959375232_b.pdb or decoys//var/tmp/from_scwrl_959375232_b.pdb.gz for input Trying /var/tmp/from_scwrl_959375232_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_959375232_b.pdb or /var/tmp/from_scwrl_959375232_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_959375232_a.pdb or decoys//var/tmp/from_scwrl_959375232_a.pdb.gz for input Trying /var/tmp/from_scwrl_959375232_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_959375232_a.pdb or /var/tmp/from_scwrl_959375232_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_959375232.pdb or /var/tmp/from_scwrl_959375232_b.pdb or /var/tmp/from_scwrl_959375232_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 T0297 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1326147909.pdb -s /var/tmp/to_scwrl_1326147909.seq -o /var/tmp/from_scwrl_1326147909.pdb > /var/tmp/scwrl_1326147909.log Error: Couldn't open file /var/tmp/from_scwrl_1326147909.pdb or /var/tmp/from_scwrl_1326147909.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1326147909_b.pdb or decoys//var/tmp/from_scwrl_1326147909_b.pdb.gz for input Trying /var/tmp/from_scwrl_1326147909_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1326147909_b.pdb or /var/tmp/from_scwrl_1326147909_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1326147909_a.pdb or decoys//var/tmp/from_scwrl_1326147909_a.pdb.gz for input Trying /var/tmp/from_scwrl_1326147909_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1326147909_a.pdb or /var/tmp/from_scwrl_1326147909_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1326147909.pdb or /var/tmp/from_scwrl_1326147909_b.pdb or /var/tmp/from_scwrl_1326147909_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 T0297 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1529950205.pdb -s /var/tmp/to_scwrl_1529950205.seq -o /var/tmp/from_scwrl_1529950205.pdb > /var/tmp/scwrl_1529950205.log Error: Couldn't open file /var/tmp/from_scwrl_1529950205.pdb or /var/tmp/from_scwrl_1529950205.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1529950205_b.pdb or decoys//var/tmp/from_scwrl_1529950205_b.pdb.gz for input Trying /var/tmp/from_scwrl_1529950205_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1529950205_b.pdb or /var/tmp/from_scwrl_1529950205_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1529950205_a.pdb or decoys//var/tmp/from_scwrl_1529950205_a.pdb.gz for input Trying /var/tmp/from_scwrl_1529950205_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1529950205_a.pdb or /var/tmp/from_scwrl_1529950205_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1529950205.pdb or /var/tmp/from_scwrl_1529950205_b.pdb or /var/tmp/from_scwrl_1529950205_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 210 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1763436286.pdb -s /var/tmp/to_scwrl_1763436286.seq -o /var/tmp/from_scwrl_1763436286.pdb > /var/tmp/scwrl_1763436286.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1763436286.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 T0297 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_474895773.pdb -s /var/tmp/to_scwrl_474895773.seq -o /var/tmp/from_scwrl_474895773.pdb > /var/tmp/scwrl_474895773.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_474895773.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 T0297 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_143651732.pdb -s /var/tmp/to_scwrl_143651732.seq -o /var/tmp/from_scwrl_143651732.pdb > /var/tmp/scwrl_143651732.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_143651732.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS4.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1031180936.pdb -s /var/tmp/to_scwrl_1031180936.seq -o /var/tmp/from_scwrl_1031180936.pdb > /var/tmp/scwrl_1031180936.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1031180936.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 # Found a chain break before 210 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_184223450.pdb -s /var/tmp/to_scwrl_184223450.seq -o /var/tmp/from_scwrl_184223450.pdb > /var/tmp/scwrl_184223450.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_184223450.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 188 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1405467910.pdb -s /var/tmp/to_scwrl_1405467910.seq -o /var/tmp/from_scwrl_1405467910.pdb > /var/tmp/scwrl_1405467910.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1405467910.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 T0297 can't currently be optimized by undertaker # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_85429467.pdb -s /var/tmp/to_scwrl_85429467.seq -o /var/tmp/from_scwrl_85429467.pdb > /var/tmp/scwrl_85429467.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_85429467.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_354840118.pdb -s /var/tmp/to_scwrl_354840118.seq -o /var/tmp/from_scwrl_354840118.pdb > /var/tmp/scwrl_354840118.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_354840118.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 183 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1648948479.pdb -s /var/tmp/to_scwrl_1648948479.seq -o /var/tmp/from_scwrl_1648948479.pdb > /var/tmp/scwrl_1648948479.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1648948479.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 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_467871388.pdb -s /var/tmp/to_scwrl_467871388.seq -o /var/tmp/from_scwrl_467871388.pdb > /var/tmp/scwrl_467871388.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_467871388.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 165 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1982017414.pdb -s /var/tmp/to_scwrl_1982017414.seq -o /var/tmp/from_scwrl_1982017414.pdb > /var/tmp/scwrl_1982017414.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1982017414.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 157 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_471405146.pdb -s /var/tmp/to_scwrl_471405146.seq -o /var/tmp/from_scwrl_471405146.pdb > /var/tmp/scwrl_471405146.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_471405146.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 186 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_885149909.pdb -s /var/tmp/to_scwrl_885149909.seq -o /var/tmp/from_scwrl_885149909.pdb > /var/tmp/scwrl_885149909.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_885149909.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 159 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_54780497.pdb -s /var/tmp/to_scwrl_54780497.seq -o /var/tmp/from_scwrl_54780497.pdb > /var/tmp/scwrl_54780497.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_54780497.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 97 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_50882547.pdb -s /var/tmp/to_scwrl_50882547.seq -o /var/tmp/from_scwrl_50882547.pdb > /var/tmp/scwrl_50882547.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_50882547.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 T0297 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1500472481.pdb -s /var/tmp/to_scwrl_1500472481.seq -o /var/tmp/from_scwrl_1500472481.pdb > /var/tmp/scwrl_1500472481.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1500472481.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL1-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_256538220.pdb -s /var/tmp/to_scwrl_256538220.seq -o /var/tmp/from_scwrl_256538220.pdb > /var/tmp/scwrl_256538220.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_256538220.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 163, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 196, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 209, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz Skipped atom 350, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL3.pdb.gz # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_2005100628.pdb -s /var/tmp/to_scwrl_2005100628.seq -o /var/tmp/from_scwrl_2005100628.pdb > /var/tmp/scwrl_2005100628.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2005100628.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 T0297 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1744163514.pdb -s /var/tmp/to_scwrl_1744163514.seq -o /var/tmp/from_scwrl_1744163514.pdb > /var/tmp/scwrl_1744163514.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1744163514.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL4-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1599995056.pdb -s /var/tmp/to_scwrl_1599995056.seq -o /var/tmp/from_scwrl_1599995056.pdb > /var/tmp/scwrl_1599995056.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1599995056.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 163, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 196, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 209, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz Skipped atom 350, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL1.pdb.gz # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_2126887296.pdb -s /var/tmp/to_scwrl_2126887296.seq -o /var/tmp/from_scwrl_2126887296.pdb > /var/tmp/scwrl_2126887296.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2126887296.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 T0297 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1183953350.pdb -s /var/tmp/to_scwrl_1183953350.seq -o /var/tmp/from_scwrl_1183953350.pdb > /var/tmp/scwrl_1183953350.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1183953350.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_485683514.pdb -s /var/tmp/to_scwrl_485683514.seq -o /var/tmp/from_scwrl_485683514.pdb > /var/tmp/scwrl_485683514.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_485683514.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 T0297 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1147031836.pdb -s /var/tmp/to_scwrl_1147031836.seq -o /var/tmp/from_scwrl_1147031836.pdb > /var/tmp/scwrl_1147031836.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1147031836.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 Skipped atom 282, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 284, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 286, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 288, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 330, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 332, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 334, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 336, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 362, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 364, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 366, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 368, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 446, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 448, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 450, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 452, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 546, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 548, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 550, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 552, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 722, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 724, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 726, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz Skipped atom 728, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL5.pdb.gz # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1768609445.pdb -s /var/tmp/to_scwrl_1768609445.seq -o /var/tmp/from_scwrl_1768609445.pdb > /var/tmp/scwrl_1768609445.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1768609445.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 195 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1940356573.pdb -s /var/tmp/to_scwrl_1940356573.seq -o /var/tmp/from_scwrl_1940356573.pdb > /var/tmp/scwrl_1940356573.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1940356573.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 198 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_587343586.pdb -s /var/tmp/to_scwrl_587343586.seq -o /var/tmp/from_scwrl_587343586.pdb > /var/tmp/scwrl_587343586.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_587343586.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 163 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1818218348.pdb -s /var/tmp/to_scwrl_1818218348.seq -o /var/tmp/from_scwrl_1818218348.pdb > /var/tmp/scwrl_1818218348.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1818218348.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 191 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_752248158.pdb -s /var/tmp/to_scwrl_752248158.seq -o /var/tmp/from_scwrl_752248158.pdb > /var/tmp/scwrl_752248158.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_752248158.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 210 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1913491495.pdb -s /var/tmp/to_scwrl_1913491495.seq -o /var/tmp/from_scwrl_1913491495.pdb > /var/tmp/scwrl_1913491495.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1913491495.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1200684907.pdb -s /var/tmp/to_scwrl_1200684907.seq -o /var/tmp/from_scwrl_1200684907.pdb > /var/tmp/scwrl_1200684907.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1200684907.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 143 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_368200797.pdb -s /var/tmp/to_scwrl_368200797.seq -o /var/tmp/from_scwrl_368200797.pdb > /var/tmp/scwrl_368200797.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_368200797.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_240903622.pdb -s /var/tmp/to_scwrl_240903622.seq -o /var/tmp/from_scwrl_240903622.pdb > /var/tmp/scwrl_240903622.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_240903622.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1344336639.pdb -s /var/tmp/to_scwrl_1344336639.seq -o /var/tmp/from_scwrl_1344336639.pdb > /var/tmp/scwrl_1344336639.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1344336639.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1399381732.pdb -s /var/tmp/to_scwrl_1399381732.seq -o /var/tmp/from_scwrl_1399381732.pdb > /var/tmp/scwrl_1399381732.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1399381732.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 T0297 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_425127072.pdb -s /var/tmp/to_scwrl_425127072.seq -o /var/tmp/from_scwrl_425127072.pdb > /var/tmp/scwrl_425127072.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_425127072.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 T0297 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_602320903.pdb -s /var/tmp/to_scwrl_602320903.seq -o /var/tmp/from_scwrl_602320903.pdb > /var/tmp/scwrl_602320903.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_602320903.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 T0297 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1484811199.pdb -s /var/tmp/to_scwrl_1484811199.seq -o /var/tmp/from_scwrl_1484811199.pdb > /var/tmp/scwrl_1484811199.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1484811199.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 T0297 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_779967190.pdb -s /var/tmp/to_scwrl_779967190.seq -o /var/tmp/from_scwrl_779967190.pdb > /var/tmp/scwrl_779967190.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_779967190.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL4-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL5.pdb.gz looking for model 1 Skipped atom 163, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 196, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 209, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz Skipped atom 350, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL5.pdb.gz # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_103785735.pdb -s /var/tmp/to_scwrl_103785735.seq -o /var/tmp/from_scwrl_103785735.pdb > /var/tmp/scwrl_103785735.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_103785735.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL5-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # Found a chain break before 178 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1952682587.pdb -s /var/tmp/to_scwrl_1952682587.seq -o /var/tmp/from_scwrl_1952682587.pdb > /var/tmp/scwrl_1952682587.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1952682587.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS2.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_614500957.pdb -s /var/tmp/to_scwrl_614500957.seq -o /var/tmp/from_scwrl_614500957.pdb > /var/tmp/scwrl_614500957.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_614500957.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS3.pdb.gz looking for model 1 # Found a chain break before 206 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_575190881.pdb -s /var/tmp/to_scwrl_575190881.seq -o /var/tmp/from_scwrl_575190881.pdb > /var/tmp/scwrl_575190881.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_575190881.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS4.pdb.gz looking for model 1 # Found a chain break before 209 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_690348850.pdb -s /var/tmp/to_scwrl_690348850.seq -o /var/tmp/from_scwrl_690348850.pdb > /var/tmp/scwrl_690348850.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_690348850.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS5.pdb.gz looking for model 1 # Found a chain break before 210 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_669281455.pdb -s /var/tmp/to_scwrl_669281455.seq -o /var/tmp/from_scwrl_669281455.pdb > /var/tmp/scwrl_669281455.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_669281455.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_626073428.pdb -s /var/tmp/to_scwrl_626073428.seq -o /var/tmp/from_scwrl_626073428.pdb > /var/tmp/scwrl_626073428.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_626073428.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS1-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_43337684.pdb -s /var/tmp/to_scwrl_43337684.seq -o /var/tmp/from_scwrl_43337684.pdb > /var/tmp/scwrl_43337684.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_43337684.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_925819675.pdb -s /var/tmp/to_scwrl_925819675.seq -o /var/tmp/from_scwrl_925819675.pdb > /var/tmp/scwrl_925819675.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_925819675.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS3-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_483690410.pdb -s /var/tmp/to_scwrl_483690410.seq -o /var/tmp/from_scwrl_483690410.pdb > /var/tmp/scwrl_483690410.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_483690410.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 T0297 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1787501198.pdb -s /var/tmp/to_scwrl_1787501198.seq -o /var/tmp/from_scwrl_1787501198.pdb > /var/tmp/scwrl_1787501198.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1787501198.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 132 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_378331085.pdb -s /var/tmp/to_scwrl_378331085.seq -o /var/tmp/from_scwrl_378331085.pdb > /var/tmp/scwrl_378331085.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_378331085.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 59 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_463094059.pdb -s /var/tmp/to_scwrl_463094059.seq -o /var/tmp/from_scwrl_463094059.pdb > /var/tmp/scwrl_463094059.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_463094059.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 162 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_823970902.pdb -s /var/tmp/to_scwrl_823970902.seq -o /var/tmp/from_scwrl_823970902.pdb > /var/tmp/scwrl_823970902.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_823970902.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 T0297 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_864014599.pdb -s /var/tmp/to_scwrl_864014599.seq -o /var/tmp/from_scwrl_864014599.pdb > /var/tmp/scwrl_864014599.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_864014599.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 T0297 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1610125896.pdb -s /var/tmp/to_scwrl_1610125896.seq -o /var/tmp/from_scwrl_1610125896.pdb > /var/tmp/scwrl_1610125896.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1610125896.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 T0297 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_445096700.pdb -s /var/tmp/to_scwrl_445096700.seq -o /var/tmp/from_scwrl_445096700.pdb > /var/tmp/scwrl_445096700.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_445096700.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 T0297 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_656887525.pdb -s /var/tmp/to_scwrl_656887525.seq -o /var/tmp/from_scwrl_656887525.pdb > /var/tmp/scwrl_656887525.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_656887525.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 T0297 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_49985835.pdb -s /var/tmp/to_scwrl_49985835.seq -o /var/tmp/from_scwrl_49985835.pdb > /var/tmp/scwrl_49985835.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_49985835.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 T0297 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_115831402.pdb -s /var/tmp/to_scwrl_115831402.seq -o /var/tmp/from_scwrl_115831402.pdb > /var/tmp/scwrl_115831402.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_115831402.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 T0297 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1409135682.pdb -s /var/tmp/to_scwrl_1409135682.seq -o /var/tmp/from_scwrl_1409135682.pdb > /var/tmp/scwrl_1409135682.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1409135682.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 T0297 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1963477330.pdb -s /var/tmp/to_scwrl_1963477330.seq -o /var/tmp/from_scwrl_1963477330.pdb > /var/tmp/scwrl_1963477330.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1963477330.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 T0297 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1316516309.pdb -s /var/tmp/to_scwrl_1316516309.seq -o /var/tmp/from_scwrl_1316516309.pdb > /var/tmp/scwrl_1316516309.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1316516309.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 T0297 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1777336479.pdb -s /var/tmp/to_scwrl_1777336479.seq -o /var/tmp/from_scwrl_1777336479.pdb > /var/tmp/scwrl_1777336479.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1777336479.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 T0297 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_56897305.pdb -s /var/tmp/to_scwrl_56897305.seq -o /var/tmp/from_scwrl_56897305.pdb > /var/tmp/scwrl_56897305.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_56897305.pdb # conformation set from SCWRL output # naming current conformation MIG_FROST_AL1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_513369302.pdb -s /var/tmp/to_scwrl_513369302.seq -o /var/tmp/from_scwrl_513369302.pdb > /var/tmp/scwrl_513369302.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_513369302.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 94 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1029234566.pdb -s /var/tmp/to_scwrl_1029234566.seq -o /var/tmp/from_scwrl_1029234566.pdb > /var/tmp/scwrl_1029234566.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1029234566.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 178 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_482024378.pdb -s /var/tmp/to_scwrl_482024378.seq -o /var/tmp/from_scwrl_482024378.pdb > /var/tmp/scwrl_482024378.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_482024378.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 52 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1115690204.pdb -s /var/tmp/to_scwrl_1115690204.seq -o /var/tmp/from_scwrl_1115690204.pdb > /var/tmp/scwrl_1115690204.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1115690204.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 168 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_366562118.pdb -s /var/tmp/to_scwrl_366562118.seq -o /var/tmp/from_scwrl_366562118.pdb > /var/tmp/scwrl_366562118.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_366562118.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 190 ; scwrl3 -i /var/tmp/to_scwrl_1261991567.pdb -s /var/tmp/to_scwrl_1261991567.seq -o /var/tmp/from_scwrl_1261991567.pdb > /var/tmp/scwrl_1261991567.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1261991567.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 194 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1219475939.pdb -s /var/tmp/to_scwrl_1219475939.seq -o /var/tmp/from_scwrl_1219475939.pdb > /var/tmp/scwrl_1219475939.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1219475939.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 194 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_171761059.pdb -s /var/tmp/to_scwrl_171761059.seq -o /var/tmp/from_scwrl_171761059.pdb > /var/tmp/scwrl_171761059.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_171761059.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 192 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1876492525.pdb -s /var/tmp/to_scwrl_1876492525.seq -o /var/tmp/from_scwrl_1876492525.pdb > /var/tmp/scwrl_1876492525.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1876492525.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 195 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1794666820.pdb -s /var/tmp/to_scwrl_1794666820.seq -o /var/tmp/from_scwrl_1794666820.pdb > /var/tmp/scwrl_1794666820.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1794666820.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 T0297 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_862109909.pdb -s /var/tmp/to_scwrl_862109909.seq -o /var/tmp/from_scwrl_862109909.pdb > /var/tmp/scwrl_862109909.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_862109909.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 # naming current conformation PROTINFO-AB_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_398290333.pdb -s /var/tmp/to_scwrl_398290333.seq -o /var/tmp/from_scwrl_398290333.pdb > /var/tmp/scwrl_398290333.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_398290333.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS2.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_273256601.pdb -s /var/tmp/to_scwrl_273256601.seq -o /var/tmp/from_scwrl_273256601.pdb > /var/tmp/scwrl_273256601.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_273256601.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS3.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_905447593.pdb -s /var/tmp/to_scwrl_905447593.seq -o /var/tmp/from_scwrl_905447593.pdb > /var/tmp/scwrl_905447593.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_905447593.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1324110007.pdb -s /var/tmp/to_scwrl_1324110007.seq -o /var/tmp/from_scwrl_1324110007.pdb > /var/tmp/scwrl_1324110007.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1324110007.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS5.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_756947011.pdb -s /var/tmp/to_scwrl_756947011.seq -o /var/tmp/from_scwrl_756947011.pdb > /var/tmp/scwrl_756947011.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_756947011.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 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_545465144.pdb -s /var/tmp/to_scwrl_545465144.seq -o /var/tmp/from_scwrl_545465144.pdb > /var/tmp/scwrl_545465144.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_545465144.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 188 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1702441092.pdb -s /var/tmp/to_scwrl_1702441092.seq -o /var/tmp/from_scwrl_1702441092.pdb > /var/tmp/scwrl_1702441092.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1702441092.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 144 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1220041070.pdb -s /var/tmp/to_scwrl_1220041070.seq -o /var/tmp/from_scwrl_1220041070.pdb > /var/tmp/scwrl_1220041070.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1220041070.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 # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1369436045.pdb -s /var/tmp/to_scwrl_1369436045.seq -o /var/tmp/from_scwrl_1369436045.pdb > /var/tmp/scwrl_1369436045.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1369436045.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 # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_418972044.pdb -s /var/tmp/to_scwrl_418972044.seq -o /var/tmp/from_scwrl_418972044.pdb > /var/tmp/scwrl_418972044.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_418972044.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 T0297 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_682683320.pdb -s /var/tmp/to_scwrl_682683320.seq -o /var/tmp/from_scwrl_682683320.pdb > /var/tmp/scwrl_682683320.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_682683320.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 T0297 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1814532746.pdb -s /var/tmp/to_scwrl_1814532746.seq -o /var/tmp/from_scwrl_1814532746.pdb > /var/tmp/scwrl_1814532746.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1814532746.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 T0297 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1075859568.pdb -s /var/tmp/to_scwrl_1075859568.seq -o /var/tmp/from_scwrl_1075859568.pdb > /var/tmp/scwrl_1075859568.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1075859568.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 T0297 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_732669155.pdb -s /var/tmp/to_scwrl_732669155.seq -o /var/tmp/from_scwrl_732669155.pdb > /var/tmp/scwrl_732669155.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_732669155.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS5.pdb.gz looking for model 1 # Found a chain break before 180 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1930364148.pdb -s /var/tmp/to_scwrl_1930364148.seq -o /var/tmp/from_scwrl_1930364148.pdb > /var/tmp/scwrl_1930364148.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1930364148.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 T0297 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_337511604.pdb -s /var/tmp/to_scwrl_337511604.seq -o /var/tmp/from_scwrl_337511604.pdb > /var/tmp/scwrl_337511604.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_337511604.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 T0297 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 190 ; scwrl3 -i /var/tmp/to_scwrl_548662838.pdb -s /var/tmp/to_scwrl_548662838.seq -o /var/tmp/from_scwrl_548662838.pdb > /var/tmp/scwrl_548662838.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_548662838.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1099396810.pdb -s /var/tmp/to_scwrl_1099396810.seq -o /var/tmp/from_scwrl_1099396810.pdb > /var/tmp/scwrl_1099396810.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1099396810.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 178 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_2114848084.pdb -s /var/tmp/to_scwrl_2114848084.seq -o /var/tmp/from_scwrl_2114848084.pdb > /var/tmp/scwrl_2114848084.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2114848084.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_605560144.pdb -s /var/tmp/to_scwrl_605560144.seq -o /var/tmp/from_scwrl_605560144.pdb > /var/tmp/scwrl_605560144.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_605560144.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # Found a chain break before 204 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1612766112.pdb -s /var/tmp/to_scwrl_1612766112.seq -o /var/tmp/from_scwrl_1612766112.pdb > /var/tmp/scwrl_1612766112.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1612766112.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 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_996599003.pdb -s /var/tmp/to_scwrl_996599003.seq -o /var/tmp/from_scwrl_996599003.pdb > /var/tmp/scwrl_996599003.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_996599003.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 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1087584521.pdb -s /var/tmp/to_scwrl_1087584521.seq -o /var/tmp/from_scwrl_1087584521.pdb > /var/tmp/scwrl_1087584521.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1087584521.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 T0297 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_580972670.pdb -s /var/tmp/to_scwrl_580972670.seq -o /var/tmp/from_scwrl_580972670.pdb > /var/tmp/scwrl_580972670.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_580972670.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 T0297 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1363161120.pdb -s /var/tmp/to_scwrl_1363161120.seq -o /var/tmp/from_scwrl_1363161120.pdb > /var/tmp/scwrl_1363161120.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1363161120.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 T0297 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_202092442.pdb -s /var/tmp/to_scwrl_202092442.seq -o /var/tmp/from_scwrl_202092442.pdb > /var/tmp/scwrl_202092442.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_202092442.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 59 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1800448609.pdb -s /var/tmp/to_scwrl_1800448609.seq -o /var/tmp/from_scwrl_1800448609.pdb > /var/tmp/scwrl_1800448609.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1800448609.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 143 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1534922179.pdb -s /var/tmp/to_scwrl_1534922179.seq -o /var/tmp/from_scwrl_1534922179.pdb > /var/tmp/scwrl_1534922179.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1534922179.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 142 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_2078584967.pdb -s /var/tmp/to_scwrl_2078584967.seq -o /var/tmp/from_scwrl_2078584967.pdb > /var/tmp/scwrl_2078584967.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2078584967.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS4.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1447631782.pdb -s /var/tmp/to_scwrl_1447631782.seq -o /var/tmp/from_scwrl_1447631782.pdb > /var/tmp/scwrl_1447631782.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1447631782.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 94 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_249548441.pdb -s /var/tmp/to_scwrl_249548441.seq -o /var/tmp/from_scwrl_249548441.pdb > /var/tmp/scwrl_249548441.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_249548441.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 95 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_329391653.pdb -s /var/tmp/to_scwrl_329391653.seq -o /var/tmp/from_scwrl_329391653.pdb > /var/tmp/scwrl_329391653.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_329391653.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 188 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1720888383.pdb -s /var/tmp/to_scwrl_1720888383.seq -o /var/tmp/from_scwrl_1720888383.pdb > /var/tmp/scwrl_1720888383.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1720888383.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 94 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1154996033.pdb -s /var/tmp/to_scwrl_1154996033.seq -o /var/tmp/from_scwrl_1154996033.pdb > /var/tmp/scwrl_1154996033.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1154996033.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 31 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1653501661.pdb -s /var/tmp/to_scwrl_1653501661.seq -o /var/tmp/from_scwrl_1653501661.pdb > /var/tmp/scwrl_1653501661.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1653501661.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 186 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_330351748.pdb -s /var/tmp/to_scwrl_330351748.seq -o /var/tmp/from_scwrl_330351748.pdb > /var/tmp/scwrl_330351748.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_330351748.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 78 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1700461177.pdb -s /var/tmp/to_scwrl_1700461177.seq -o /var/tmp/from_scwrl_1700461177.pdb > /var/tmp/scwrl_1700461177.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1700461177.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 94 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1208459106.pdb -s /var/tmp/to_scwrl_1208459106.seq -o /var/tmp/from_scwrl_1208459106.pdb > /var/tmp/scwrl_1208459106.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1208459106.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 42 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1550392818.pdb -s /var/tmp/to_scwrl_1550392818.seq -o /var/tmp/from_scwrl_1550392818.pdb > /var/tmp/scwrl_1550392818.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1550392818.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 114 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_922413577.pdb -s /var/tmp/to_scwrl_922413577.seq -o /var/tmp/from_scwrl_922413577.pdb > /var/tmp/scwrl_922413577.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_922413577.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 96 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1627431151.pdb -s /var/tmp/to_scwrl_1627431151.seq -o /var/tmp/from_scwrl_1627431151.pdb > /var/tmp/scwrl_1627431151.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1627431151.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 178 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_85592491.pdb -s /var/tmp/to_scwrl_85592491.seq -o /var/tmp/from_scwrl_85592491.pdb > /var/tmp/scwrl_85592491.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_85592491.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 172 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_589462676.pdb -s /var/tmp/to_scwrl_589462676.seq -o /var/tmp/from_scwrl_589462676.pdb > /var/tmp/scwrl_589462676.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_589462676.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 178 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_555807073.pdb -s /var/tmp/to_scwrl_555807073.seq -o /var/tmp/from_scwrl_555807073.pdb > /var/tmp/scwrl_555807073.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_555807073.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 178 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_818261646.pdb -s /var/tmp/to_scwrl_818261646.seq -o /var/tmp/from_scwrl_818261646.pdb > /var/tmp/scwrl_818261646.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_818261646.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 178 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_372343177.pdb -s /var/tmp/to_scwrl_372343177.seq -o /var/tmp/from_scwrl_372343177.pdb > /var/tmp/scwrl_372343177.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_372343177.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_893318678.pdb -s /var/tmp/to_scwrl_893318678.seq -o /var/tmp/from_scwrl_893318678.pdb > /var/tmp/scwrl_893318678.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_893318678.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1366924483.pdb -s /var/tmp/to_scwrl_1366924483.seq -o /var/tmp/from_scwrl_1366924483.pdb > /var/tmp/scwrl_1366924483.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1366924483.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1471739987.pdb -s /var/tmp/to_scwrl_1471739987.seq -o /var/tmp/from_scwrl_1471739987.pdb > /var/tmp/scwrl_1471739987.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1471739987.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 T0297 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_860683115.pdb -s /var/tmp/to_scwrl_860683115.seq -o /var/tmp/from_scwrl_860683115.pdb > /var/tmp/scwrl_860683115.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_860683115.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 Skipped atom 163, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 196, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 209, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 342, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1972484627.pdb -s /var/tmp/to_scwrl_1972484627.seq -o /var/tmp/from_scwrl_1972484627.pdb > /var/tmp/scwrl_1972484627.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1972484627.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_937022453.pdb -s /var/tmp/to_scwrl_937022453.seq -o /var/tmp/from_scwrl_937022453.pdb > /var/tmp/scwrl_937022453.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_937022453.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 T0297 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1857282117.pdb -s /var/tmp/to_scwrl_1857282117.seq -o /var/tmp/from_scwrl_1857282117.pdb > /var/tmp/scwrl_1857282117.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1857282117.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 T0297 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_912585502.pdb -s /var/tmp/to_scwrl_912585502.seq -o /var/tmp/from_scwrl_912585502.pdb > /var/tmp/scwrl_912585502.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_912585502.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 T0297 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1517995122.pdb -s /var/tmp/to_scwrl_1517995122.seq -o /var/tmp/from_scwrl_1517995122.pdb > /var/tmp/scwrl_1517995122.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1517995122.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 T0297 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1072959591.pdb -s /var/tmp/to_scwrl_1072959591.seq -o /var/tmp/from_scwrl_1072959591.pdb > /var/tmp/scwrl_1072959591.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1072959591.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 T0297 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1114677944.pdb -s /var/tmp/to_scwrl_1114677944.seq -o /var/tmp/from_scwrl_1114677944.pdb > /var/tmp/scwrl_1114677944.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1114677944.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 T0297 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1170960084.pdb -s /var/tmp/to_scwrl_1170960084.seq -o /var/tmp/from_scwrl_1170960084.pdb > /var/tmp/scwrl_1170960084.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1170960084.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 192 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_460398124.pdb -s /var/tmp/to_scwrl_460398124.seq -o /var/tmp/from_scwrl_460398124.pdb > /var/tmp/scwrl_460398124.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_460398124.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 T0297 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1045779265.pdb -s /var/tmp/to_scwrl_1045779265.seq -o /var/tmp/from_scwrl_1045779265.pdb > /var/tmp/scwrl_1045779265.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1045779265.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 T0297 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_471108220.pdb -s /var/tmp/to_scwrl_471108220.seq -o /var/tmp/from_scwrl_471108220.pdb > /var/tmp/scwrl_471108220.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_471108220.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 T0297 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_709946565.pdb -s /var/tmp/to_scwrl_709946565.seq -o /var/tmp/from_scwrl_709946565.pdb > /var/tmp/scwrl_709946565.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_709946565.pdb # conformation set from SCWRL output # naming current conformation SAM_T06_server_TS4-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1375170918.pdb -s /var/tmp/to_scwrl_1375170918.seq -o /var/tmp/from_scwrl_1375170918.pdb > /var/tmp/scwrl_1375170918.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1375170918.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 59 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_44512956.pdb -s /var/tmp/to_scwrl_44512956.seq -o /var/tmp/from_scwrl_44512956.pdb > /var/tmp/scwrl_44512956.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_44512956.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 123 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1864942599.pdb -s /var/tmp/to_scwrl_1864942599.seq -o /var/tmp/from_scwrl_1864942599.pdb > /var/tmp/scwrl_1864942599.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1864942599.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 52 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_881188933.pdb -s /var/tmp/to_scwrl_881188933.seq -o /var/tmp/from_scwrl_881188933.pdb > /var/tmp/scwrl_881188933.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_881188933.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 178 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_374864704.pdb -s /var/tmp/to_scwrl_374864704.seq -o /var/tmp/from_scwrl_374864704.pdb > /var/tmp/scwrl_374864704.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_374864704.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 55 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1417920129.pdb -s /var/tmp/to_scwrl_1417920129.seq -o /var/tmp/from_scwrl_1417920129.pdb > /var/tmp/scwrl_1417920129.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1417920129.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 143 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_2089648039.pdb -s /var/tmp/to_scwrl_2089648039.seq -o /var/tmp/from_scwrl_2089648039.pdb > /var/tmp/scwrl_2089648039.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2089648039.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 124 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1925257522.pdb -s /var/tmp/to_scwrl_1925257522.seq -o /var/tmp/from_scwrl_1925257522.pdb > /var/tmp/scwrl_1925257522.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1925257522.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 147 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_192850059.pdb -s /var/tmp/to_scwrl_192850059.seq -o /var/tmp/from_scwrl_192850059.pdb > /var/tmp/scwrl_192850059.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_192850059.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 178 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1569595543.pdb -s /var/tmp/to_scwrl_1569595543.seq -o /var/tmp/from_scwrl_1569595543.pdb > /var/tmp/scwrl_1569595543.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1569595543.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 134 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_2010850013.pdb -s /var/tmp/to_scwrl_2010850013.seq -o /var/tmp/from_scwrl_2010850013.pdb > /var/tmp/scwrl_2010850013.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2010850013.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 59 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_782312735.pdb -s /var/tmp/to_scwrl_782312735.seq -o /var/tmp/from_scwrl_782312735.pdb > /var/tmp/scwrl_782312735.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_782312735.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 176 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_2125402617.pdb -s /var/tmp/to_scwrl_2125402617.seq -o /var/tmp/from_scwrl_2125402617.pdb > /var/tmp/scwrl_2125402617.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2125402617.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 123 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_681628012.pdb -s /var/tmp/to_scwrl_681628012.seq -o /var/tmp/from_scwrl_681628012.pdb > /var/tmp/scwrl_681628012.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_681628012.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 178 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1154655911.pdb -s /var/tmp/to_scwrl_1154655911.seq -o /var/tmp/from_scwrl_1154655911.pdb > /var/tmp/scwrl_1154655911.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1154655911.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 # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_871237648.pdb -s /var/tmp/to_scwrl_871237648.seq -o /var/tmp/from_scwrl_871237648.pdb > /var/tmp/scwrl_871237648.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_871237648.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 T0297 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_2048552496.pdb -s /var/tmp/to_scwrl_2048552496.seq -o /var/tmp/from_scwrl_2048552496.pdb > /var/tmp/scwrl_2048552496.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2048552496.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 T0297 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_478912252.pdb -s /var/tmp/to_scwrl_478912252.seq -o /var/tmp/from_scwrl_478912252.pdb > /var/tmp/scwrl_478912252.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_478912252.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 T0297 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1731920762.pdb -s /var/tmp/to_scwrl_1731920762.seq -o /var/tmp/from_scwrl_1731920762.pdb > /var/tmp/scwrl_1731920762.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1731920762.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 T0297 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1873553476.pdb -s /var/tmp/to_scwrl_1873553476.seq -o /var/tmp/from_scwrl_1873553476.pdb > /var/tmp/scwrl_1873553476.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1873553476.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 T0297 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1415934704.pdb -s /var/tmp/to_scwrl_1415934704.seq -o /var/tmp/from_scwrl_1415934704.pdb > /var/tmp/scwrl_1415934704.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1415934704.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 T0297 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 190 ; scwrl3 -i /var/tmp/to_scwrl_1441719232.pdb -s /var/tmp/to_scwrl_1441719232.seq -o /var/tmp/from_scwrl_1441719232.pdb > /var/tmp/scwrl_1441719232.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1441719232.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 T0297 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_638655332.pdb -s /var/tmp/to_scwrl_638655332.seq -o /var/tmp/from_scwrl_638655332.pdb > /var/tmp/scwrl_638655332.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_638655332.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 T0297 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_786446180.pdb -s /var/tmp/to_scwrl_786446180.seq -o /var/tmp/from_scwrl_786446180.pdb > /var/tmp/scwrl_786446180.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_786446180.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 T0297 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_367195176.pdb -s /var/tmp/to_scwrl_367195176.seq -o /var/tmp/from_scwrl_367195176.pdb > /var/tmp/scwrl_367195176.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_367195176.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 T0297 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1753333276.pdb -s /var/tmp/to_scwrl_1753333276.seq -o /var/tmp/from_scwrl_1753333276.pdb > /var/tmp/scwrl_1753333276.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1753333276.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 T0297 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1957406264.pdb -s /var/tmp/to_scwrl_1957406264.seq -o /var/tmp/from_scwrl_1957406264.pdb > /var/tmp/scwrl_1957406264.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1957406264.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 175 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_827593300.pdb -s /var/tmp/to_scwrl_827593300.seq -o /var/tmp/from_scwrl_827593300.pdb > /var/tmp/scwrl_827593300.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_827593300.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS2.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_651628894.pdb -s /var/tmp/to_scwrl_651628894.seq -o /var/tmp/from_scwrl_651628894.pdb > /var/tmp/scwrl_651628894.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_651628894.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 173 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_281030837.pdb -s /var/tmp/to_scwrl_281030837.seq -o /var/tmp/from_scwrl_281030837.pdb > /var/tmp/scwrl_281030837.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_281030837.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 195 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1537539865.pdb -s /var/tmp/to_scwrl_1537539865.seq -o /var/tmp/from_scwrl_1537539865.pdb > /var/tmp/scwrl_1537539865.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1537539865.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 184 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_2026799812.pdb -s /var/tmp/to_scwrl_2026799812.seq -o /var/tmp/from_scwrl_2026799812.pdb > /var/tmp/scwrl_2026799812.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2026799812.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 195 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_325543794.pdb -s /var/tmp/to_scwrl_325543794.seq -o /var/tmp/from_scwrl_325543794.pdb > /var/tmp/scwrl_325543794.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_325543794.pdb # conformation set from SCWRL output # naming current conformation beautshot_TS1-scwrl # ReadConformPDB reading from PDB file servers/beautshotbase_TS1.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1254998817.pdb -s /var/tmp/to_scwrl_1254998817.seq -o /var/tmp/from_scwrl_1254998817.pdb > /var/tmp/scwrl_1254998817.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1254998817.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 Skipped atom 163, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL1.pdb.gz Skipped atom 196, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL1.pdb.gz Skipped atom 209, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL1.pdb.gz Skipped atom 362, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL1.pdb.gz # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_760505098.pdb -s /var/tmp/to_scwrl_760505098.seq -o /var/tmp/from_scwrl_760505098.pdb > /var/tmp/scwrl_760505098.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_760505098.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL1-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_700408498.pdb -s /var/tmp/to_scwrl_700408498.seq -o /var/tmp/from_scwrl_700408498.pdb > /var/tmp/scwrl_700408498.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_700408498.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 T0297 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_525435300.pdb -s /var/tmp/to_scwrl_525435300.seq -o /var/tmp/from_scwrl_525435300.pdb > /var/tmp/scwrl_525435300.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_525435300.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 T0297 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_702669491.pdb -s /var/tmp/to_scwrl_702669491.seq -o /var/tmp/from_scwrl_702669491.pdb > /var/tmp/scwrl_702669491.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_702669491.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 T0297 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_478182374.pdb -s /var/tmp/to_scwrl_478182374.seq -o /var/tmp/from_scwrl_478182374.pdb > /var/tmp/scwrl_478182374.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_478182374.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation gtg_AL1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_718285360.pdb -s /var/tmp/to_scwrl_718285360.seq -o /var/tmp/from_scwrl_718285360.pdb > /var/tmp/scwrl_718285360.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_718285360.pdb # conformation set from SCWRL output # naming current conformation gtg_AL1-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation gtg_AL2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_124781387.pdb -s /var/tmp/to_scwrl_124781387.seq -o /var/tmp/from_scwrl_124781387.pdb > /var/tmp/scwrl_124781387.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_124781387.pdb # conformation set from SCWRL output # naming current conformation gtg_AL2-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation gtg_AL3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_341548740.pdb -s /var/tmp/to_scwrl_341548740.seq -o /var/tmp/from_scwrl_341548740.pdb > /var/tmp/scwrl_341548740.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_341548740.pdb # conformation set from SCWRL output # naming current conformation gtg_AL3-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL4.pdb.gz looking for model 1 Skipped atom 303, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 423, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 425, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 427, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 429, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 512, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz Skipped atom 637, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL4.pdb.gz # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation gtg_AL4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1500598094.pdb -s /var/tmp/to_scwrl_1500598094.seq -o /var/tmp/from_scwrl_1500598094.pdb > /var/tmp/scwrl_1500598094.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1500598094.pdb # conformation set from SCWRL output # naming current conformation gtg_AL4-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation gtg_AL5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_102700357.pdb -s /var/tmp/to_scwrl_102700357.seq -o /var/tmp/from_scwrl_102700357.pdb > /var/tmp/scwrl_102700357.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_102700357.pdb # conformation set from SCWRL output # naming current conformation gtg_AL5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1023176753.pdb -s /var/tmp/to_scwrl_1023176753.seq -o /var/tmp/from_scwrl_1023176753.pdb > /var/tmp/scwrl_1023176753.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1023176753.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 59 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_507770360.pdb -s /var/tmp/to_scwrl_507770360.seq -o /var/tmp/from_scwrl_507770360.pdb > /var/tmp/scwrl_507770360.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_507770360.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 98 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_973938005.pdb -s /var/tmp/to_scwrl_973938005.seq -o /var/tmp/from_scwrl_973938005.pdb > /var/tmp/scwrl_973938005.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_973938005.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 95 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_924245602.pdb -s /var/tmp/to_scwrl_924245602.seq -o /var/tmp/from_scwrl_924245602.pdb > /var/tmp/scwrl_924245602.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_924245602.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 162 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_986682612.pdb -s /var/tmp/to_scwrl_986682612.seq -o /var/tmp/from_scwrl_986682612.pdb > /var/tmp/scwrl_986682612.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_986682612.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: (T0297)S40.O and (T0297)I41.N only 0.000 apart, marking (T0297)I41.N as missing # WARNING: incomplete conformation T0297 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 190 ; scwrl3 -i /var/tmp/to_scwrl_558375120.pdb -s /var/tmp/to_scwrl_558375120.seq -o /var/tmp/from_scwrl_558375120.pdb > /var/tmp/scwrl_558375120.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_558375120.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS2.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_650315431.pdb -s /var/tmp/to_scwrl_650315431.seq -o /var/tmp/from_scwrl_650315431.pdb > /var/tmp/scwrl_650315431.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_650315431.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 208 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_255133670.pdb -s /var/tmp/to_scwrl_255133670.seq -o /var/tmp/from_scwrl_255133670.pdb > /var/tmp/scwrl_255133670.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_255133670.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS4.pdb.gz looking for model 1 # Found a chain break before 208 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_2000094352.pdb -s /var/tmp/to_scwrl_2000094352.seq -o /var/tmp/from_scwrl_2000094352.pdb > /var/tmp/scwrl_2000094352.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2000094352.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: (T0297)A163.O and (T0297)Y164.N only 0.000 apart, marking (T0297)Y164.N as missing # WARNING: incomplete conformation T0297 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 190 ; scwrl3 -i /var/tmp/to_scwrl_1288970762.pdb -s /var/tmp/to_scwrl_1288970762.seq -o /var/tmp/from_scwrl_1288970762.pdb > /var/tmp/scwrl_1288970762.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1288970762.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1041579850.pdb -s /var/tmp/to_scwrl_1041579850.seq -o /var/tmp/from_scwrl_1041579850.pdb > /var/tmp/scwrl_1041579850.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1041579850.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_219805882.pdb -s /var/tmp/to_scwrl_219805882.seq -o /var/tmp/from_scwrl_219805882.pdb > /var/tmp/scwrl_219805882.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_219805882.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_894820392.pdb -s /var/tmp/to_scwrl_894820392.seq -o /var/tmp/from_scwrl_894820392.pdb > /var/tmp/scwrl_894820392.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_894820392.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 T0297 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_851502468.pdb -s /var/tmp/to_scwrl_851502468.seq -o /var/tmp/from_scwrl_851502468.pdb > /var/tmp/scwrl_851502468.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_851502468.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 T0297 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1047399182.pdb -s /var/tmp/to_scwrl_1047399182.seq -o /var/tmp/from_scwrl_1047399182.pdb > /var/tmp/scwrl_1047399182.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1047399182.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS5-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1546449286.pdb -s /var/tmp/to_scwrl_1546449286.seq -o /var/tmp/from_scwrl_1546449286.pdb > /var/tmp/scwrl_1546449286.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1546449286.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1132533304.pdb -s /var/tmp/to_scwrl_1132533304.seq -o /var/tmp/from_scwrl_1132533304.pdb > /var/tmp/scwrl_1132533304.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1132533304.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 172 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_437455400.pdb -s /var/tmp/to_scwrl_437455400.seq -o /var/tmp/from_scwrl_437455400.pdb > /var/tmp/scwrl_437455400.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_437455400.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS3-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1425765451.pdb -s /var/tmp/to_scwrl_1425765451.seq -o /var/tmp/from_scwrl_1425765451.pdb > /var/tmp/scwrl_1425765451.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1425765451.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 145 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1458077098.pdb -s /var/tmp/to_scwrl_1458077098.seq -o /var/tmp/from_scwrl_1458077098.pdb > /var/tmp/scwrl_1458077098.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1458077098.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS5-scwrl # ReadConformPDB reading from PDB file servers/mGen-3D_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_1692454217.pdb -s /var/tmp/to_scwrl_1692454217.seq -o /var/tmp/from_scwrl_1692454217.pdb > /var/tmp/scwrl_1692454217.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1692454217.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 T0297 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_38786903.pdb -s /var/tmp/to_scwrl_38786903.seq -o /var/tmp/from_scwrl_38786903.pdb > /var/tmp/scwrl_38786903.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_38786903.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: atom 1 has residue number 1 < previous residue 211 in servers/nFOLD_TS2.pdb.gz # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_11001950.pdb -s /var/tmp/to_scwrl_11001950.seq -o /var/tmp/from_scwrl_11001950.pdb > /var/tmp/scwrl_11001950.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_11001950.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: atom 1 has residue number 1 < previous residue 211 in servers/nFOLD_TS3.pdb.gz # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_70405871.pdb -s /var/tmp/to_scwrl_70405871.seq -o /var/tmp/from_scwrl_70405871.pdb > /var/tmp/scwrl_70405871.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_70405871.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: atom 1 has residue number 1 < previous residue 211 in servers/nFOLD_TS4.pdb.gz # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_741456394.pdb -s /var/tmp/to_scwrl_741456394.seq -o /var/tmp/from_scwrl_741456394.pdb > /var/tmp/scwrl_741456394.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_741456394.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: atom 1 has residue number 1 < previous residue 211 in servers/nFOLD_TS5.pdb.gz # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_489184324.pdb -s /var/tmp/to_scwrl_489184324.seq -o /var/tmp/from_scwrl_489184324.pdb > /var/tmp/scwrl_489184324.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_489184324.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS5-scwrl # ReadConformPDB reading from PDB file servers/panther2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_788691231.pdb -s /var/tmp/to_scwrl_788691231.seq -o /var/tmp/from_scwrl_788691231.pdb > /var/tmp/scwrl_788691231.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_788691231.pdb # conformation set from SCWRL output # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0297 can't currently be optimized by undertaker # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 190 ; scwrl3 -i /var/tmp/to_scwrl_866237781.pdb -s /var/tmp/to_scwrl_866237781.seq -o /var/tmp/from_scwrl_866237781.pdb > /var/tmp/scwrl_866237781.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_866237781.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 49.414 sec, elapsed time= 519.976 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 66.015 real_cost = -45.149 shub_TS1 costs 66.029 real_cost = -37.440 panther2_TS1-scwrl costs 81.484 real_cost = 39.377 panther2_TS1 costs 81.502 real_cost = 43.146 nFOLD_TS5-scwrl costs 86.048 real_cost = 128.568 nFOLD_TS5 costs 86.063 real_cost = 208.249 nFOLD_TS4-scwrl costs 58.596 real_cost = 101.285 nFOLD_TS4 costs 58.534 real_cost = 177.083 nFOLD_TS3-scwrl costs 66.936 real_cost = 50.957 nFOLD_TS3 costs 66.861 real_cost = 134.712 nFOLD_TS2-scwrl costs 63.539 real_cost = 35.634 nFOLD_TS2 costs 63.456 real_cost = 106.985 nFOLD_TS1-scwrl costs 57.208 real_cost = -48.185 nFOLD_TS1 costs 57.219 real_cost = 64.905 mGen-3D_TS1-scwrl costs 57.495 real_cost = -67.310 mGen-3D_TS1 costs 57.513 real_cost = 32.677 keasar-server_TS5-scwrl costs 70.991 real_cost = -32.230 keasar-server_TS5 costs 70.991 real_cost = -20.901 keasar-server_TS4-scwrl costs 82.714 real_cost = -31.183 keasar-server_TS4 costs 82.714 real_cost = -16.410 keasar-server_TS3-scwrl costs 76.033 real_cost = -32.547 keasar-server_TS3 costs 76.033 real_cost = -18.728 keasar-server_TS2-scwrl costs 71.150 real_cost = -30.051 keasar-server_TS2 costs 71.150 real_cost = -22.956 keasar-server_TS1-scwrl costs 80.019 real_cost = -35.328 keasar-server_TS1 costs 80.019 real_cost = -30.083 karypis.srv_TS5-scwrl costs 71.718 real_cost = 282.910 karypis.srv_TS5 costs 71.720 real_cost = 280.807 karypis.srv_TS4-scwrl costs 74.691 real_cost = 65.110 karypis.srv_TS4 costs 74.703 real_cost = 63.093 karypis.srv_TS3-scwrl costs 82.189 real_cost = 82.868 karypis.srv_TS3 costs 82.214 real_cost = 78.852 karypis.srv_TS2-scwrl costs 62.819 real_cost = -36.278 karypis.srv_TS2 costs 62.819 real_cost = -36.286 karypis.srv_TS1-scwrl costs 53.740 real_cost = -50.882 karypis.srv_TS1 costs 53.740 real_cost = -49.957 karypis.srv.4_TS5-scwrl costs 117.075 real_cost = 278.834 karypis.srv.4_TS5 costs 117.075 real_cost = 277.821 karypis.srv.4_TS4-scwrl costs 146.137 real_cost = 311.591 karypis.srv.4_TS4 costs 146.137 real_cost = 311.591 karypis.srv.4_TS3-scwrl costs 161.323 real_cost = 344.480 karypis.srv.4_TS3 costs 161.323 real_cost = 344.515 karypis.srv.4_TS2-scwrl costs 141.921 real_cost = 351.119 karypis.srv.4_TS2 costs 141.921 real_cost = 351.119 karypis.srv.4_TS1-scwrl costs 137.383 real_cost = 267.328 karypis.srv.4_TS1 costs 137.383 real_cost = 268.275 karypis.srv.2_TS5-scwrl costs 57.119 real_cost = -71.933 karypis.srv.2_TS5 costs 57.119 real_cost = -71.933 karypis.srv.2_TS4-scwrl costs 54.551 real_cost = -43.777 karypis.srv.2_TS4 costs 54.551 real_cost = -45.020 karypis.srv.2_TS3-scwrl costs 57.311 real_cost = -63.325 karypis.srv.2_TS3 costs 57.311 real_cost = -63.844 karypis.srv.2_TS2-scwrl costs 51.122 real_cost = -63.490 karypis.srv.2_TS2 costs 51.122 real_cost = -63.490 karypis.srv.2_TS1-scwrl costs 56.373 real_cost = -39.120 karypis.srv.2_TS1 costs 56.373 real_cost = -39.120 gtg_AL5-scwrl costs 86.859 real_cost = 130.701 gtg_AL5 costs 86.993 real_cost = 233.796 gtg_AL4-scwrl costs 67.276 real_cost = 82.095 gtg_AL4 costs 67.249 real_cost = 198.385 gtg_AL3-scwrl costs 64.036 real_cost = 90.650 gtg_AL3 costs 63.996 real_cost = 192.661 gtg_AL2-scwrl costs 69.991 real_cost = 128.227 gtg_AL2 costs 69.956 real_cost = 220.017 gtg_AL1-scwrl costs 63.725 real_cost = -18.739 gtg_AL1 costs 63.701 real_cost = 104.254 forecast-s_AL5-scwrl costs 87.004 real_cost = 113.751 forecast-s_AL5 costs 87.025 real_cost = 227.505 forecast-s_AL4-scwrl costs 57.826 real_cost = -61.391 forecast-s_AL4 costs 57.885 real_cost = 93.958 forecast-s_AL3-scwrl costs 62.618 real_cost = 91.714 forecast-s_AL3 costs 62.555 real_cost = 189.867 forecast-s_AL2-scwrl costs 72.378 real_cost = 95.433 forecast-s_AL2 costs 72.379 real_cost = 218.792 forecast-s_AL1-scwrl costs 66.722 real_cost = 80.527 forecast-s_AL1 costs 66.666 real_cost = 193.598 beautshotbase_TS1-scwrl costs 44.752 real_cost = -78.248 beautshotbase_TS1 costs 44.752 real_cost = -71.783 beautshot_TS1-scwrl costs 64.337 real_cost = -62.259 beautshot_TS1 costs 64.337 real_cost = -56.218 Zhang-Server_TS5-scwrl costs 64.123 real_cost = -52.872 Zhang-Server_TS5 costs 64.123 real_cost = -54.927 Zhang-Server_TS4-scwrl costs 59.561 real_cost = -63.107 Zhang-Server_TS4 costs 59.561 real_cost = -54.653 Zhang-Server_TS3-scwrl costs 49.726 real_cost = -88.411 Zhang-Server_TS3 costs 49.726 real_cost = -81.062 Zhang-Server_TS2-scwrl costs 52.389 real_cost = -85.730 Zhang-Server_TS2 costs 52.389 real_cost = -89.662 Zhang-Server_TS1-scwrl costs 50.757 real_cost = -71.167 Zhang-Server_TS1 costs 50.757 real_cost = -60.742 UNI-EID_sfst_AL5-scwrl costs 67.022 real_cost = 41.624 UNI-EID_sfst_AL5 costs 67.014 real_cost = 146.389 UNI-EID_sfst_AL4-scwrl costs 60.923 real_cost = -52.986 UNI-EID_sfst_AL4 costs 60.828 real_cost = 63.034 UNI-EID_sfst_AL3-scwrl costs 59.437 real_cost = -28.773 UNI-EID_sfst_AL3 costs 59.342 real_cost = 82.152 UNI-EID_sfst_AL2-scwrl costs 61.621 real_cost = -41.229 UNI-EID_sfst_AL2 costs 61.535 real_cost = 77.138 UNI-EID_sfst_AL1-scwrl costs 61.040 real_cost = -47.926 UNI-EID_sfst_AL1 costs 60.985 real_cost = 70.669 UNI-EID_expm_TS1-scwrl costs 80.705 real_cost = -68.196 UNI-EID_expm_TS1 costs 80.705 real_cost = 51.765 UNI-EID_bnmx_TS5-scwrl costs 65.683 real_cost = 39.503 UNI-EID_bnmx_TS5 costs 65.718 real_cost = 146.504 UNI-EID_bnmx_TS4-scwrl costs 61.359 real_cost = -64.687 UNI-EID_bnmx_TS4 costs 61.335 real_cost = 78.053 UNI-EID_bnmx_TS3-scwrl costs 56.468 real_cost = -36.753 UNI-EID_bnmx_TS3 costs 56.379 real_cost = 95.527 UNI-EID_bnmx_TS2-scwrl costs 59.262 real_cost = -45.245 UNI-EID_bnmx_TS2 costs 59.168 real_cost = 90.366 UNI-EID_bnmx_TS1-scwrl costs 59.081 real_cost = -55.888 UNI-EID_bnmx_TS1 costs 59.024 real_cost = 83.573 SPARKS2_TS5-scwrl costs 66.258 real_cost = 98.772 SPARKS2_TS5 costs 66.258 real_cost = 98.380 SPARKS2_TS4-scwrl costs 64.821 real_cost = 58.531 SPARKS2_TS4 costs 64.821 real_cost = 63.467 SPARKS2_TS3-scwrl costs 61.618 real_cost = 30.984 SPARKS2_TS3 costs 61.618 real_cost = 38.727 SPARKS2_TS2-scwrl costs 57.805 real_cost = 87.002 SPARKS2_TS2 costs 57.805 real_cost = 81.051 SPARKS2_TS1-scwrl costs 57.759 real_cost = -64.763 SPARKS2_TS1 costs 57.759 real_cost = -66.264 SP4_TS5-scwrl costs 64.816 real_cost = 111.037 SP4_TS5 costs 64.816 real_cost = 114.358 SP4_TS4-scwrl costs 65.288 real_cost = 47.880 SP4_TS4 costs 65.288 real_cost = 46.915 SP4_TS3-scwrl costs 57.509 real_cost = 78.007 SP4_TS3 costs 57.509 real_cost = 76.642 SP4_TS2-scwrl costs 58.039 real_cost = 40.042 SP4_TS2 costs 58.039 real_cost = 40.871 SP4_TS1-scwrl costs 56.803 real_cost = -85.431 SP4_TS1 costs 56.803 real_cost = -89.543 SP3_TS5-scwrl costs 73.448 real_cost = 118.546 SP3_TS5 costs 73.448 real_cost = 115.519 SP3_TS4-scwrl costs 64.821 real_cost = 58.531 SP3_TS4 costs 64.821 real_cost = 63.467 SP3_TS3-scwrl costs 56.874 real_cost = 79.279 SP3_TS3 costs 56.874 real_cost = 78.763 SP3_TS2-scwrl costs 61.618 real_cost = 30.984 SP3_TS2 costs 61.618 real_cost = 38.727 SP3_TS1-scwrl costs 53.540 real_cost = -86.963 SP3_TS1 costs 53.540 real_cost = -89.936 SAM_T06_server_TS5-scwrl costs 74.725 real_cost = 104.799 SAM_T06_server_TS5 costs 74.748 real_cost = 68.506 SAM_T06_server_TS4-scwrl costs 63.858 real_cost = 137.337 SAM_T06_server_TS4 costs 63.805 real_cost = 110.317 SAM_T06_server_TS3-scwrl costs 72.355 real_cost = 143.244 SAM_T06_server_TS3 costs 72.381 real_cost = 100.819 SAM_T06_server_TS2-scwrl costs 82.294 real_cost = 118.605 SAM_T06_server_TS2 costs 82.151 real_cost = 25.732 SAM_T06_server_TS1-scwrl costs 70.509 real_cost = -77.619 SAM_T06_server_TS1 costs 70.509 real_cost = -75.324 SAM-T99_AL5-scwrl costs 59.064 real_cost = -38.995 SAM-T99_AL5 costs 59.087 real_cost = 109.751 SAM-T99_AL4-scwrl costs 59.964 real_cost = -45.685 SAM-T99_AL4 costs 59.979 real_cost = 96.274 SAM-T99_AL3-scwrl costs 60.826 real_cost = -50.895 SAM-T99_AL3 costs 60.841 real_cost = 96.793 SAM-T99_AL2-scwrl costs 61.028 real_cost = -49.307 SAM-T99_AL2 costs 61.042 real_cost = 91.851 SAM-T99_AL1-scwrl costs 63.535 real_cost = -30.269 SAM-T99_AL1 costs 63.550 real_cost = 113.631 SAM-T02_AL5-scwrl costs 59.753 real_cost = -47.456 SAM-T02_AL5 costs 59.741 real_cost = 106.014 SAM-T02_AL4-scwrl costs 64.219 real_cost = 180.214 SAM-T02_AL4 costs 64.305 real_cost = 298.051 SAM-T02_AL3-scwrl costs 60.959 real_cost = 67.474 SAM-T02_AL3 costs 60.944 real_cost = 176.654 SAM-T02_AL2-scwrl costs 64.326 real_cost = 100.273 SAM-T02_AL2 costs 64.353 real_cost = 197.479 SAM-T02_AL1-scwrl costs 60.225 real_cost = -60.864 SAM-T02_AL1 costs 60.200 real_cost = 87.023 ROKKY_TS2-scwrl costs 61.116 real_cost = 243.085 ROKKY_TS2 costs 61.116 real_cost = 239.627 ROKKY_TS1-scwrl costs 74.275 real_cost = 145.176 ROKKY_TS1 costs 74.275 real_cost = 135.065 ROBETTA_TS5-scwrl costs 50.321 real_cost = -53.966 ROBETTA_TS5 costs 50.321 real_cost = -55.410 ROBETTA_TS4-scwrl costs 51.695 real_cost = -52.599 ROBETTA_TS4 costs 51.695 real_cost = -51.371 ROBETTA_TS3-scwrl costs 54.016 real_cost = -65.410 ROBETTA_TS3 costs 54.016 real_cost = -67.221 ROBETTA_TS2-scwrl costs 55.401 real_cost = -37.357 ROBETTA_TS2 costs 55.401 real_cost = -41.735 ROBETTA_TS1-scwrl costs 57.570 real_cost = -88.532 ROBETTA_TS1 costs 57.570 real_cost = -83.740 RAPTOR_TS5-scwrl costs 62.178 real_cost = -45.037 RAPTOR_TS5 costs 62.178 real_cost = -42.787 RAPTOR_TS4-scwrl costs 58.635 real_cost = 54.173 RAPTOR_TS4 costs 58.635 real_cost = 60.226 RAPTOR_TS3-scwrl costs 61.243 real_cost = 58.446 RAPTOR_TS3 costs 61.243 real_cost = 62.915 RAPTOR_TS2-scwrl costs 53.517 real_cost = -51.513 RAPTOR_TS2 costs 53.517 real_cost = -43.735 RAPTOR_TS1-scwrl costs 54.488 real_cost = -47.369 RAPTOR_TS1 costs 54.488 real_cost = -45.203 RAPTORESS_TS5-scwrl costs 80.682 real_cost = 195.332 RAPTORESS_TS5 costs 80.682 real_cost = 205.530 RAPTORESS_TS4-scwrl costs 80.683 real_cost = 126.859 RAPTORESS_TS4 costs 80.683 real_cost = 132.487 RAPTORESS_TS3-scwrl costs 57.234 real_cost = -43.518 RAPTORESS_TS3 costs 57.234 real_cost = -32.578 RAPTORESS_TS2-scwrl costs 70.365 real_cost = -20.481 RAPTORESS_TS2 costs 70.365 real_cost = -12.696 RAPTORESS_TS1-scwrl costs 61.781 real_cost = -55.833 RAPTORESS_TS1 costs 61.781 real_cost = -46.610 RAPTOR-ACE_TS5-scwrl costs 54.156 real_cost = -50.693 RAPTOR-ACE_TS5 costs 54.156 real_cost = -52.944 RAPTOR-ACE_TS4-scwrl costs 61.190 real_cost = 42.947 RAPTOR-ACE_TS4 costs 61.190 real_cost = 40.302 RAPTOR-ACE_TS3-scwrl costs 53.228 real_cost = -55.574 RAPTOR-ACE_TS3 costs 53.228 real_cost = -52.207 RAPTOR-ACE_TS2-scwrl costs 56.601 real_cost = -59.256 RAPTOR-ACE_TS2 costs 56.601 real_cost = -63.574 RAPTOR-ACE_TS1-scwrl costs 53.540 real_cost = -86.963 RAPTOR-ACE_TS1 costs 53.540 real_cost = -89.936 Pmodeller6_TS5-scwrl costs 53.730 real_cost = -38.267 Pmodeller6_TS5 costs 53.724 real_cost = -45.003 Pmodeller6_TS4-scwrl costs 57.911 real_cost = 56.020 Pmodeller6_TS4 costs 57.929 real_cost = 54.171 Pmodeller6_TS3-scwrl costs 66.634 real_cost = 75.940 Pmodeller6_TS3 costs 66.650 real_cost = 73.217 Pmodeller6_TS2-scwrl costs 62.844 real_cost = 19.702 Pmodeller6_TS2 costs 62.853 real_cost = 13.859 Pmodeller6_TS1-scwrl costs 64.146 real_cost = 24.541 Pmodeller6_TS1 costs 64.155 real_cost = 20.677 Phyre-2_TS5-scwrl costs 62.844 real_cost = -41.607 Phyre-2_TS5 costs 62.844 real_cost = -32.609 Phyre-2_TS4-scwrl costs 64.340 real_cost = -72.131 Phyre-2_TS4 costs 64.340 real_cost = -69.556 Phyre-2_TS3-scwrl costs 57.350 real_cost = -73.833 Phyre-2_TS3 costs 57.350 real_cost = -68.898 Phyre-2_TS2-scwrl costs 63.746 real_cost = -73.887 Phyre-2_TS2 costs 63.746 real_cost = -71.240 Phyre-2_TS1-scwrl costs 59.378 real_cost = -62.524 Phyre-2_TS1 costs 59.378 real_cost = -57.689 Phyre-1_TS1-scwrl costs 63.803 real_cost = -66.581 Phyre-1_TS1 costs 63.841 real_cost = -73.990 Pcons6_TS5-scwrl costs 60.721 real_cost = -47.778 Pcons6_TS5 costs 60.721 real_cost = -47.784 Pcons6_TS4-scwrl costs 51.282 real_cost = -64.570 Pcons6_TS4 costs 51.300 real_cost = -70.599 Pcons6_TS3-scwrl costs 50.869 real_cost = -55.717 Pcons6_TS3 costs 50.863 real_cost = -62.476 Pcons6_TS2-scwrl costs 51.103 real_cost = -30.513 Pcons6_TS2 costs 51.102 real_cost = -35.550 Pcons6_TS1-scwrl costs 51.599 real_cost = -35.346 Pcons6_TS1 costs 51.598 real_cost = -40.801 PROTINFO_TS5-scwrl costs 65.411 real_cost = -58.996 PROTINFO_TS5 costs 65.411 real_cost = -62.688 PROTINFO_TS4-scwrl costs 71.222 real_cost = -77.951 PROTINFO_TS4 costs 71.222 real_cost = -83.816 PROTINFO_TS3-scwrl costs 67.649 real_cost = -66.763 PROTINFO_TS3 costs 67.649 real_cost = -64.646 PROTINFO_TS2-scwrl costs 58.950 real_cost = -85.312 PROTINFO_TS2 costs 58.950 real_cost = -83.542 PROTINFO_TS1-scwrl costs 65.655 real_cost = 9.907 PROTINFO_TS1 costs 65.661 real_cost = 13.294 PROTINFO-AB_TS5-scwrl costs 67.129 real_cost = -52.948 PROTINFO-AB_TS5 costs 67.129 real_cost = -54.528 PROTINFO-AB_TS4-scwrl costs 68.477 real_cost = -77.779 PROTINFO-AB_TS4 costs 68.477 real_cost = -77.031 PROTINFO-AB_TS3-scwrl costs 69.332 real_cost = -78.886 PROTINFO-AB_TS3 costs 69.332 real_cost = -79.493 PROTINFO-AB_TS2-scwrl costs 71.222 real_cost = -77.951 PROTINFO-AB_TS2 costs 71.222 real_cost = -83.816 PROTINFO-AB_TS1-scwrl costs 70.279 real_cost = -75.488 PROTINFO-AB_TS1 costs 70.279 real_cost = -80.649 NN_PUT_lab_TS1-scwrl costs 63.126 real_cost = 9.225 NN_PUT_lab_TS1 costs 63.081 real_cost = 145.478 MetaTasser_TS5-scwrl costs 70.592 real_cost = 38.630 MetaTasser_TS5 costs 70.592 real_cost = 34.174 MetaTasser_TS4-scwrl costs 74.645 real_cost = 43.484 MetaTasser_TS4 costs 74.645 real_cost = 43.032 MetaTasser_TS3-scwrl costs 75.199 real_cost = 12.206 MetaTasser_TS3 costs 75.199 real_cost = 16.357 MetaTasser_TS2-scwrl costs 83.334 real_cost = 19.154 MetaTasser_TS2 costs 83.334 real_cost = 24.391 MetaTasser_TS1-scwrl costs 73.581 real_cost = -54.562 MetaTasser_TS1 costs 73.581 real_cost = -52.487 Ma-OPUS-server_TS5-scwrl costs 86.603 real_cost = 254.347 Ma-OPUS-server_TS5 costs 86.603 real_cost = 255.843 Ma-OPUS-server_TS4-scwrl costs 57.392 real_cost = 100.377 Ma-OPUS-server_TS4 costs 57.392 real_cost = 97.000 Ma-OPUS-server_TS3-scwrl costs 60.027 real_cost = 68.942 Ma-OPUS-server_TS3 costs 60.027 real_cost = 74.142 Ma-OPUS-server_TS2-scwrl costs 63.442 real_cost = 50.190 Ma-OPUS-server_TS2 costs 63.442 real_cost = 53.488 Ma-OPUS-server_TS1-scwrl costs 53.799 real_cost = -77.940 Ma-OPUS-server_TS1 costs 53.799 real_cost = -80.964 MIG_FROST_AL1-scwrl costs 86.472 real_cost = 375.903 MIG_FROST_AL1 costs 86.441 real_cost = 425.964 LOOPP_TS5-scwrl costs 62.967 real_cost = -3.649 LOOPP_TS5 costs 62.966 real_cost = -1.252 LOOPP_TS4-scwrl costs 62.696 real_cost = -11.523 LOOPP_TS4 costs 62.696 real_cost = -12.029 LOOPP_TS3-scwrl costs 58.935 real_cost = -11.889 LOOPP_TS3 costs 58.934 real_cost = -13.374 LOOPP_TS2-scwrl costs 57.956 real_cost = -4.004 LOOPP_TS2 costs 57.955 real_cost = -14.186 LOOPP_TS1-scwrl costs 64.686 real_cost = -8.325 LOOPP_TS1 costs 64.685 real_cost = -9.900 Huber-Torda-Server_TS5-scwrl costs 96.893 real_cost = 421.574 Huber-Torda-Server_TS5 costs 96.748 real_cost = 443.563 Huber-Torda-Server_TS4-scwrl costs 83.110 real_cost = 284.582 Huber-Torda-Server_TS4 costs 82.989 real_cost = 346.079 Huber-Torda-Server_TS3-scwrl costs 60.675 real_cost = 13.481 Huber-Torda-Server_TS3 costs 60.655 real_cost = 108.152 Huber-Torda-Server_TS2-scwrl costs 65.469 real_cost = 169.187 Huber-Torda-Server_TS2 costs 65.359 real_cost = 236.179 Huber-Torda-Server_TS1-scwrl costs 63.374 real_cost = 23.959 Huber-Torda-Server_TS1 costs 63.353 real_cost = 116.383 HHpred3_TS1-scwrl costs 59.079 real_cost = -57.310 HHpred3_TS1 costs 59.079 real_cost = -55.491 HHpred2_TS1-scwrl costs 60.576 real_cost = -47.287 HHpred2_TS1 costs 60.576 real_cost = -51.607 HHpred1_TS1-scwrl costs 56.186 real_cost = -43.734 HHpred1_TS1 costs 56.186 real_cost = -44.876 GeneSilicoMetaServer_TS5-scwrl costs 56.933 real_cost = -13.949 GeneSilicoMetaServer_TS5 costs 56.933 real_cost = -12.321 GeneSilicoMetaServer_TS4-scwrl costs 71.364 real_cost = 34.070 GeneSilicoMetaServer_TS4 costs 71.362 real_cost = 28.395 GeneSilicoMetaServer_TS3-scwrl costs 57.117 real_cost = -71.927 GeneSilicoMetaServer_TS3 costs 57.117 real_cost = -69.220 GeneSilicoMetaServer_TS2-scwrl costs 57.536 real_cost = -58.933 GeneSilicoMetaServer_TS2 costs 57.536 real_cost = -58.718 GeneSilicoMetaServer_TS1-scwrl costs 59.673 real_cost = -46.461 GeneSilicoMetaServer_TS1 costs 59.673 real_cost = -53.552 FUNCTION_TS5-scwrl costs 69.367 real_cost = 12.242 FUNCTION_TS5 costs 69.367 real_cost = 12.777 FUNCTION_TS4-scwrl costs 65.347 real_cost = -8.201 FUNCTION_TS4 costs 65.347 real_cost = -7.919 FUNCTION_TS3-scwrl costs 63.014 real_cost = -23.922 FUNCTION_TS3 costs 63.014 real_cost = -19.460 FUNCTION_TS2-scwrl costs 72.448 real_cost = -45.437 FUNCTION_TS2 costs 72.448 real_cost = -46.436 FUNCTION_TS1-scwrl costs 61.570 real_cost = -55.943 FUNCTION_TS1 costs 61.570 real_cost = -54.915 FUGUE_AL5-scwrl costs 63.421 real_cost = 55.467 FUGUE_AL5 costs 63.446 real_cost = 176.793 FUGUE_AL4-scwrl costs 61.860 real_cost = 123.020 FUGUE_AL4 costs 61.827 real_cost = 234.828 FUGUE_AL3-scwrl costs 57.884 real_cost = -49.753 FUGUE_AL3 costs 57.909 real_cost = 102.704 FUGUE_AL2-scwrl costs 59.111 real_cost = -44.383 FUGUE_AL2 costs 59.136 real_cost = 112.861 FUGUE_AL1-scwrl costs 63.078 real_cost = -39.304 FUGUE_AL1 costs 63.103 real_cost = 111.121 FUGMOD_TS5-scwrl costs 60.852 real_cost = 36.507 FUGMOD_TS5 costs 60.857 real_cost = 43.048 FUGMOD_TS4-scwrl costs 64.018 real_cost = 88.420 FUGMOD_TS4 costs 63.980 real_cost = 83.945 FUGMOD_TS3-scwrl costs 56.607 real_cost = -59.024 FUGMOD_TS3 costs 56.607 real_cost = -56.767 FUGMOD_TS2-scwrl costs 49.775 real_cost = -67.934 FUGMOD_TS2 costs 49.775 real_cost = -59.292 FUGMOD_TS1-scwrl costs 61.365 real_cost = -59.109 FUGMOD_TS1 costs 61.365 real_cost = -60.390 FPSOLVER-SERVER_TS5-scwrl costs 120.785 real_cost = 271.982 FPSOLVER-SERVER_TS5 costs 120.785 real_cost = 284.891 FPSOLVER-SERVER_TS4-scwrl costs 119.171 real_cost = 261.017 FPSOLVER-SERVER_TS4 costs 119.171 real_cost = 273.211 FPSOLVER-SERVER_TS3-scwrl costs 109.151 real_cost = 293.227 FPSOLVER-SERVER_TS3 costs 109.151 real_cost = 301.358 FPSOLVER-SERVER_TS2-scwrl costs 110.365 real_cost = 277.866 FPSOLVER-SERVER_TS2 costs 110.365 real_cost = 281.589 FPSOLVER-SERVER_TS1-scwrl costs 106.094 real_cost = 269.820 FPSOLVER-SERVER_TS1 costs 106.094 real_cost = 278.472 FORTE2_AL5-scwrl costs 84.159 real_cost = 314.262 FORTE2_AL5 costs 84.210 real_cost = 444.096 FORTE2_AL4-scwrl costs 96.801 real_cost = 271.481 FORTE2_AL4 costs 96.789 real_cost = 394.903 FORTE2_AL3-scwrl costs 83.020 real_cost = 163.594 FORTE2_AL3 costs 83.003 real_cost = 283.096 FORTE2_AL2-scwrl costs 64.103 real_cost = 92.153 FORTE2_AL2 costs 64.024 real_cost = 204.450 FORTE2_AL1-scwrl costs 61.033 real_cost = 82.732 FORTE2_AL1 costs 61.022 real_cost = 198.612 FORTE1_AL5-scwrl costs 82.289 real_cost = 164.059 FORTE1_AL5 costs 82.272 real_cost = 283.283 FORTE1_AL4-scwrl costs 64.103 real_cost = 92.153 FORTE1_AL4 costs 64.024 real_cost = 204.450 FORTE1_AL3-scwrl costs 60.348 real_cost = 79.940 FORTE1_AL3 costs 60.308 real_cost = 200.906 FORTE1_AL2-scwrl costs 59.085 real_cost = 90.136 FORTE1_AL2 costs 59.199 real_cost = 197.524 FORTE1_AL1-scwrl costs 62.561 real_cost = -6.636 FORTE1_AL1 costs 62.567 real_cost = 141.596 FOLDpro_TS5-scwrl costs 73.314 real_cost = 39.812 FOLDpro_TS5 costs 73.314 real_cost = 41.936 FOLDpro_TS4-scwrl costs 69.585 real_cost = 61.209 FOLDpro_TS4 costs 69.585 real_cost = 64.118 FOLDpro_TS3-scwrl costs 52.020 real_cost = -65.049 FOLDpro_TS3 costs 52.020 real_cost = -62.792 FOLDpro_TS2-scwrl costs 68.280 real_cost = -2.897 FOLDpro_TS2 costs 68.280 real_cost = -1.997 FOLDpro_TS1-scwrl costs 59.103 real_cost = -25.206 FOLDpro_TS1 costs 59.103 real_cost = -25.678 FAMS_TS5-scwrl costs 69.301 real_cost = 17.772 FAMS_TS5 costs 69.264 real_cost = 13.322 FAMS_TS4-scwrl costs 64.809 real_cost = -50.796 FAMS_TS4 costs 64.809 real_cost = -49.673 FAMS_TS3-scwrl costs 66.786 real_cost = 55.291 FAMS_TS3 costs 66.786 real_cost = 51.982 FAMS_TS2-scwrl costs 64.657 real_cost = -7.282 FAMS_TS2 costs 64.625 real_cost = -7.623 FAMS_TS1-scwrl costs 67.082 real_cost = -10.179 FAMS_TS1 costs 67.082 real_cost = -7.672 FAMSD_TS5-scwrl costs 58.317 real_cost = -66.798 FAMSD_TS5 costs 58.317 real_cost = -64.269 FAMSD_TS4-scwrl costs 56.943 real_cost = -64.587 FAMSD_TS4 costs 56.943 real_cost = -62.087 FAMSD_TS3-scwrl costs 66.454 real_cost = 32.656 FAMSD_TS3 costs 66.464 real_cost = 30.609 FAMSD_TS2-scwrl costs 70.411 real_cost = 29.771 FAMSD_TS2 costs 70.437 real_cost = 29.546 FAMSD_TS1-scwrl costs 58.491 real_cost = -50.788 FAMSD_TS1 costs 58.491 real_cost = -46.137 Distill_TS5-scwrl costs 233.214 real_cost = 403.535 Distill_TS4-scwrl costs 236.168 real_cost = 413.035 Distill_TS3-scwrl costs 233.766 real_cost = 423.679 Distill_TS2-scwrl costs 234.594 real_cost = 423.963 Distill_TS1-scwrl costs 234.501 real_cost = 440.497 CaspIta-FOX_TS5-scwrl costs 66.221 real_cost = 42.164 CaspIta-FOX_TS5 costs 66.227 real_cost = 39.160 CaspIta-FOX_TS4-scwrl costs 60.620 real_cost = 94.005 CaspIta-FOX_TS4 costs 60.569 real_cost = 85.125 CaspIta-FOX_TS3-scwrl costs 57.952 real_cost = 19.582 CaspIta-FOX_TS3 costs 57.915 real_cost = 14.102 CaspIta-FOX_TS2-scwrl costs 60.828 real_cost = -45.755 CaspIta-FOX_TS2 costs 60.828 real_cost = -49.718 CaspIta-FOX_TS1-scwrl costs 53.488 real_cost = -80.109 CaspIta-FOX_TS1 costs 53.488 real_cost = -81.516 CPHmodels_TS1-scwrl costs 71.926 real_cost = 81.345 CPHmodels_TS1 costs 71.881 real_cost = 76.709 CIRCLE_TS5-scwrl costs 66.131 real_cost = 79.112 CIRCLE_TS5 costs 66.093 real_cost = 76.815 CIRCLE_TS4-scwrl costs 69.301 real_cost = 17.772 CIRCLE_TS4 costs 69.264 real_cost = 13.322 CIRCLE_TS3-scwrl costs 66.786 real_cost = 55.291 CIRCLE_TS3 costs 66.786 real_cost = 51.982 CIRCLE_TS2-scwrl costs 66.061 real_cost = 12.779 CIRCLE_TS2 costs 66.024 real_cost = 10.937 CIRCLE_TS1-scwrl costs 64.809 real_cost = -50.796 CIRCLE_TS1 costs 64.809 real_cost = -49.673 Bilab-ENABLE_TS5-scwrl costs 105.162 real_cost = 282.333 Bilab-ENABLE_TS5 costs 105.162 real_cost = 282.333 Bilab-ENABLE_TS4-scwrl costs 105.588 real_cost = 282.154 Bilab-ENABLE_TS4 costs 105.588 real_cost = 282.154 Bilab-ENABLE_TS3-scwrl costs 104.289 real_cost = 275.062 Bilab-ENABLE_TS3 costs 104.289 real_cost = 275.242 Bilab-ENABLE_TS2-scwrl costs 56.510 real_cost = -60.093 Bilab-ENABLE_TS2 costs 56.510 real_cost = -60.093 Bilab-ENABLE_TS1-scwrl costs 56.070 real_cost = -66.293 Bilab-ENABLE_TS1 costs 56.070 real_cost = -66.293 BayesHH_TS1-scwrl costs 60.008 real_cost = -66.634 BayesHH_TS1 costs 60.008 real_cost = -60.674 ABIpro_TS5-scwrl costs 61.326 real_cost = 254.432 ABIpro_TS5 costs 61.326 real_cost = 254.601 ABIpro_TS4-scwrl costs 57.817 real_cost = 235.125 ABIpro_TS4 costs 57.817 real_cost = 234.836 ABIpro_TS3-scwrl costs 65.697 real_cost = 268.340 ABIpro_TS3 costs 65.697 real_cost = 268.452 ABIpro_TS2-scwrl costs 61.220 real_cost = 220.073 ABIpro_TS2 costs 61.220 real_cost = 220.063 ABIpro_TS1-scwrl costs 62.848 real_cost = 240.610 ABIpro_TS1 costs 62.848 real_cost = 240.610 3Dpro_TS5-scwrl costs 72.382 real_cost = 154.256 3Dpro_TS5 costs 72.382 real_cost = 155.896 3Dpro_TS4-scwrl costs 82.944 real_cost = 114.924 3Dpro_TS4 costs 82.944 real_cost = 115.867 3Dpro_TS3-scwrl costs 79.227 real_cost = 69.638 3Dpro_TS3 costs 79.227 real_cost = 70.564 3Dpro_TS2-scwrl costs 55.941 real_cost = -13.416 3Dpro_TS2 costs 55.941 real_cost = -16.361 3Dpro_TS1-scwrl costs 58.299 real_cost = 27.369 3Dpro_TS1 costs 58.299 real_cost = 34.115 3D-JIGSAW_TS5-scwrl costs 75.781 real_cost = 90.397 3D-JIGSAW_TS5 costs 75.671 real_cost = 91.180 3D-JIGSAW_TS4-scwrl costs 81.538 real_cost = 88.490 3D-JIGSAW_TS4 costs 81.530 real_cost = 97.076 3D-JIGSAW_TS3-scwrl costs 82.424 real_cost = 108.765 3D-JIGSAW_TS3 costs 82.406 real_cost = 100.707 3D-JIGSAW_TS2-scwrl costs 69.734 real_cost = -16.485 3D-JIGSAW_TS2 costs 69.734 real_cost = -5.740 3D-JIGSAW_TS1-scwrl costs 73.703 real_cost = 23.036 3D-JIGSAW_TS1 costs 73.671 real_cost = 31.659 3D-JIGSAW_RECOM_TS5-scwrl costs 78.891 real_cost = 34.394 3D-JIGSAW_RECOM_TS5 costs 78.894 real_cost = 37.721 3D-JIGSAW_RECOM_TS4-scwrl costs 69.025 real_cost = 7.388 3D-JIGSAW_RECOM_TS4 costs 69.110 real_cost = -0.713 3D-JIGSAW_RECOM_TS3-scwrl costs 76.618 real_cost = 30.328 3D-JIGSAW_RECOM_TS3 costs 76.616 real_cost = 43.343 3D-JIGSAW_RECOM_TS2-scwrl costs 67.332 real_cost = -27.048 3D-JIGSAW_RECOM_TS2 costs 67.295 real_cost = -26.839 3D-JIGSAW_RECOM_TS1-scwrl costs 67.868 real_cost = -24.655 3D-JIGSAW_RECOM_TS1 costs 67.831 real_cost = -24.687 3D-JIGSAW_POPULUS_TS5-scwrl costs 61.921 real_cost = -45.171 3D-JIGSAW_POPULUS_TS5 costs 61.921 real_cost = -45.171 3D-JIGSAW_POPULUS_TS4-scwrl costs 61.918 real_cost = -47.572 3D-JIGSAW_POPULUS_TS4 costs 61.918 real_cost = -47.572 3D-JIGSAW_POPULUS_TS3-scwrl costs 62.436 real_cost = -48.535 3D-JIGSAW_POPULUS_TS3 costs 62.436 real_cost = -48.535 3D-JIGSAW_POPULUS_TS2-scwrl costs 62.833 real_cost = -30.388 3D-JIGSAW_POPULUS_TS2 costs 62.833 real_cost = -30.349 3D-JIGSAW_POPULUS_TS1-scwrl costs 67.116 real_cost = 1.765 3D-JIGSAW_POPULUS_TS1 costs 67.078 real_cost = -0.745 T0297.try6-opt2.repack-nonPC.pdb.gz costs 59.021 real_cost = -80.574 T0297.try6-opt2.pdb.gz costs 59.021 real_cost = -83.267 T0297.try6-opt2.gromacs0.pdb.gz costs 52.529 real_cost = -84.118 T0297.try6-opt1.pdb.gz costs 57.825 real_cost = -83.105 T0297.try6-opt1-scwrl.pdb.gz costs 57.825 real_cost = -82.080 T0297.try5-opt2.repack-nonPC.pdb.gz costs 54.897 real_cost = -108.675 T0297.try5-opt2.pdb.gz costs 54.897 real_cost = -110.151 T0297.try5-opt2.gromacs0.pdb.gz costs 49.894 real_cost = -110.014 T0297.try5-opt1.pdb.gz costs 54.112 real_cost = -110.292 T0297.try5-opt1-scwrl.pdb.gz costs 54.112 real_cost = -107.495 T0297.try4-opt2.repack-nonPC.pdb.gz costs 57.825 real_cost = -80.220 T0297.try4-opt2.pdb.gz costs 57.825 real_cost = -81.833 T0297.try4-opt2.gromacs0.pdb.gz costs 53.029 real_cost = -81.739 T0297.try4-opt1.pdb.gz costs 56.943 real_cost = -82.042 T0297.try4-opt1-scwrl.pdb.gz costs 56.943 real_cost = -82.200 T0297.try3-opt2.repack-nonPC.pdb.gz costs 58.553 real_cost = -80.791 T0297.try3-opt2.pdb.gz costs 58.553 real_cost = -77.816 T0297.try3-opt2.gromacs0.pdb.gz costs 52.714 real_cost = -76.961 T0297.try3-opt1.pdb.gz costs 59.164 real_cost = -66.145 T0297.try3-opt1-scwrl.pdb.gz costs 59.164 real_cost = -68.841 T0297.try2-opt2.repack-nonPC.pdb.gz costs 56.256 real_cost = -79.368 T0297.try2-opt2.pdb.gz costs 56.256 real_cost = -77.799 T0297.try2-opt2.gromacs0.pdb.gz costs 48.021 real_cost = -79.545 T0297.try2-opt1.pdb.gz costs 56.335 real_cost = -73.598 T0297.try2-opt1-scwrl.pdb.gz costs 56.335 real_cost = -72.733 T0297.try1-opt2.repack-nonPC.pdb.gz costs 65.461 real_cost = -97.887 T0297.try1-opt2.pdb.gz costs 65.461 real_cost = -97.189 T0297.try1-opt2.gromacs0.pdb.gz costs 50.653 real_cost = -95.005 T0297.try1-opt1.pdb.gz costs 62.611 real_cost = -100.171 T0297.try1-opt1-scwrl.pdb.gz costs 62.611 real_cost = -99.978 ../model5.ts-submitted costs 68.173 real_cost = 55.140 ../model4.ts-submitted costs 62.602 real_cost = 115.515 ../model3.ts-submitted costs 80.711 real_cost = 27.219 ../model2.ts-submitted costs 54.897 real_cost = -110.172 ../model1.ts-submitted costs 59.021 real_cost = -83.149 align5 costs 71.571 real_cost = 57.252 align4 costs 78.455 real_cost = 104.985 align3 costs 67.997 real_cost = 41.865 align2 costs 60.216 real_cost = 115.076 align1 costs 81.784 real_cost = 3.472 T0297.try1-opt2.pdb costs 65.461 real_cost = -97.193 model5-scwrl costs 68.133 real_cost = 91.236 model5.ts-submitted costs 68.173 real_cost = 55.140 model4-scwrl costs 62.646 real_cost = 138.445 model4.ts-submitted costs 62.602 real_cost = 115.515 model3-scwrl costs 80.775 real_cost = 120.850 model3.ts-submitted costs 80.711 real_cost = 27.219 model2-scwrl costs 54.897 real_cost = -104.715 model2.ts-submitted costs 54.897 real_cost = -110.172 model1-scwrl costs 59.021 real_cost = -82.314 model1.ts-submitted costs 59.021 real_cost = -83.149 2hsjA costs 40.296 real_cost = -895.000 # command:CPU_time= 1314.580 sec, elapsed time= 1785.299 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/T0297'