make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0299' /projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0299.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/T0299.} ;\ 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/T0299/ -e s/START_COL/1/ \ -e s/COSTFCN/anglevector/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2hiyA/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1182628679 # 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= 6.970 sec, elapsed time= 7.015 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= 7.052 sec, elapsed time= 7.116 sec. # command:# Prefix for input files set to # command:# Making conformation for sequence T0299 numbered 1 through 180 Created new target T0299 from T0299.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2hiyA expands to /projects/compbio/data/pdb/2hiy.pdb.gz 2hiyA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 422, because occupancy 0.5 <= existing 0.500 in 2hiyA Skipped atom 424, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 426, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 428, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 430, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 432, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 434, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 436, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 438, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 1033, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 1035, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 1037, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 1039, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 1041, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 1043, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 1045, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 1429, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 1431, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 1433, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 1435, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 1437, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 1439, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 1441, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 1443, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 1445, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 1447, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 1449, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 1451, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 1453, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 1455, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 1457, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 1459, because occupancy 0.500 <= existing 0.500 in 2hiyA Skipped atom 1461, because occupancy 0.500 <= existing 0.500 in 2hiyA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Read 180 residues and 1483 atoms. # choosing archetypes in rotamer library # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # command:# Saving current conformation as real # command:# Prefix for output files set to decoys/ # command:# SetRealCost created real_cost = # ( 50.000 * real_hbond + 50.000 * real_hbond_u + 50.000 * decoy_hbond + 50.000 * decoy_hbond_u + 10.000 * real_NO_hbond + 10.000 * real_NO_hbond_u + 10.000 * decoy_NO_hbond + 10.000 * decoy_NO_hbond_u + 10.000 * knot + 200.000 * clens + 0.000 * rmsd + 35.000 * log_rmsd + 0.000 * rmsd_ca + 30.000 * log_rmsd_ca + 1.000 * GDT + 1.000 * smooth_GDT + 0.200 * missing_atoms ) # command:# SetCost created cost = # ) # command:# reading script from file anglevector.costfcn # Prefix for input files set to /projects/compbio/lib/alphabet/ # Read 2 alphabets from anglevector.alphabet # Prefix for input files set to # CreateCombinedNNet created CombinedNNet bys_t2k # CreateCombinedNNet created CombinedNNet bys_t04 # CreateCombinedNNet created CombinedNNet bys_t06 # CreateCombinedNNet created CombinedNNet bys_mean # created predicted AngleVectorPredCostFcn pred_bys_t2k # created predicted AngleVectorPredCostFcn pred_bys_t04 # created predicted AngleVectorPredCostFcn pred_bys_t06 # created predicted AngleVectorPredCostFcn pred_bys_mean # CreateCombinedNNet created CombinedNNet pb_t2k # CreateCombinedNNet created CombinedNNet pb_t04 # CreateCombinedNNet created CombinedNNet pb_t06 # CreateCombinedNNet created CombinedNNet pb_mean # created predicted AngleVectorPredCostFcn pred_pb_t2k # created predicted AngleVectorPredCostFcn pred_pb_t04 # created predicted AngleVectorPredCostFcn pred_pb_t06 # created predicted AngleVectorPredCostFcn pred_pb_mean # SetCost created cost = # ( 5.000 * bystroff + 5.000 * pred_bys_t2k + 5.000 * pred_bys_t04 + 5.000 * pred_bys_t06 + 5.000 * pred_bys_mean + 5.000 * pred_pb_t2k + 5.000 * pred_pb_t04 + 5.000 * pred_pb_t06 + 5.000 * pred_pb_mean ) # command:CPU_time= 12.454 sec, elapsed time= 12.628 sec. # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file model1.ts-submitted looking for model 1 # Found a chain break before 171 # 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 = -18.503 # GDT_score(maxd=8.000,maxw=2.900)= -15.551 # GDT_score(maxd=8.000,maxw=3.200)= -14.916 # GDT_score(maxd=8.000,maxw=3.500)= -14.364 # GDT_score(maxd=10.000,maxw=3.800)= -17.017 # GDT_score(maxd=10.000,maxw=4.000)= -16.567 # GDT_score(maxd=10.000,maxw=4.200)= -16.122 # GDT_score(maxd=12.000,maxw=4.300)= -18.795 # GDT_score(maxd=12.000,maxw=4.500)= -18.274 # GDT_score(maxd=12.000,maxw=4.700)= -17.761 # GDT_score(maxd=14.000,maxw=5.200)= -18.981 # GDT_score(maxd=14.000,maxw=5.500)= -18.225 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0299.model1-real.pdb for output Error: Couldn't open file T0299.model1-real.pdb for output superimposing iter= 0 total_weight= 2173.000 rmsd (weighted)= 16.317 (unweighted)= 16.759 superimposing iter= 1 total_weight= 3836.517 rmsd (weighted)= 9.595 (unweighted)= 16.939 superimposing iter= 2 total_weight= 1954.604 rmsd (weighted)= 8.190 (unweighted)= 17.156 superimposing iter= 3 total_weight= 1586.212 rmsd (weighted)= 7.822 (unweighted)= 17.326 superimposing iter= 4 total_weight= 1525.899 rmsd (weighted)= 7.634 (unweighted)= 17.452 superimposing iter= 5 total_weight= 1504.107 rmsd (weighted)= 7.512 (unweighted)= 17.539 EXPDTA model1.ts-submitted MODEL 1 REMARK 44 REMARK 44 model 1 is called model1.ts-submitted ATOM 1 N MET A 1 38.700 37.184 20.676 1.00 0.00 ATOM 2 CA MET A 1 38.868 38.557 20.219 1.00 0.00 ATOM 3 CB MET A 1 38.833 38.692 18.803 1.00 0.00 ATOM 4 CG MET A 1 37.722 38.085 17.950 1.00 0.00 ATOM 5 SD MET A 1 37.884 36.581 16.990 1.00 0.00 ATOM 6 CE MET A 1 38.675 35.474 18.199 1.00 0.00 ATOM 7 O MET A 1 36.478 38.751 20.166 1.00 0.00 ATOM 8 C MET A 1 37.557 39.330 20.296 1.00 0.00 ATOM 9 N THR A 2 37.658 40.636 20.509 1.00 0.00 ATOM 10 CA THR A 2 36.484 41.502 20.527 1.00 0.00 ATOM 11 CB THR A 2 36.839 42.924 21.000 1.00 0.00 ATOM 12 CG2 THR A 2 35.609 43.820 20.965 1.00 0.00 ATOM 13 OG1 THR A 2 37.347 42.871 22.341 1.00 0.00 ATOM 14 O THR A 2 34.616 41.676 19.031 1.00 0.00 ATOM 15 C THR A 2 35.839 41.587 19.150 1.00 0.00 ATOM 16 N ARG A 3 36.662 41.522 18.111 1.00 0.00 ATOM 17 CA ARG A 3 36.172 41.599 16.737 1.00 0.00 ATOM 18 CB ARG A 3 36.540 42.915 16.068 1.00 0.00 ATOM 19 CG ARG A 3 36.018 44.158 16.771 1.00 0.00 ATOM 20 CD ARG A 3 34.566 44.405 16.578 1.00 0.00 ATOM 21 NE ARG A 3 34.063 45.592 17.251 1.00 0.00 ATOM 22 CZ ARG A 3 32.771 45.974 17.267 1.00 0.00 ATOM 23 NH1 ARG A 3 31.856 45.289 16.620 1.00 0.00 ATOM 24 NH2 ARG A 3 32.451 47.070 17.933 1.00 0.00 ATOM 25 O ARG A 3 37.870 40.033 16.079 1.00 0.00 ATOM 26 C ARG A 3 36.737 40.469 15.886 1.00 0.00 ATOM 27 N TYR A 4 35.839 40.024 14.867 1.00 0.00 ATOM 28 CA TYR A 4 36.131 38.916 13.964 1.00 0.00 ATOM 29 CB TYR A 4 34.857 38.325 13.359 1.00 0.00 ATOM 30 CG TYR A 4 33.982 37.596 14.356 1.00 0.00 ATOM 31 CD1 TYR A 4 32.845 38.197 14.878 1.00 0.00 ATOM 32 CD2 TYR A 4 34.299 36.312 14.774 1.00 0.00 ATOM 33 CE1 TYR A 4 32.045 37.538 15.790 1.00 0.00 ATOM 34 CE2 TYR A 4 33.506 35.644 15.686 1.00 0.00 ATOM 35 CZ TYR A 4 32.379 36.259 16.192 1.00 0.00 ATOM 36 OH TYR A 4 31.585 35.597 17.099 1.00 0.00 ATOM 37 O TYR A 4 37.863 38.568 12.321 1.00 0.00 ATOM 38 C TYR A 4 37.113 39.376 12.880 1.00 0.00 ATOM 39 N ALA A 5 37.083 40.674 12.611 1.00 0.00 ATOM 40 CA ALA A 5 37.980 41.264 11.617 1.00 0.00 ATOM 41 CB ALA A 5 37.744 42.737 11.539 1.00 0.00 ATOM 42 O ALA A 5 40.303 40.790 11.258 1.00 0.00 ATOM 43 C ALA A 5 39.417 41.059 12.071 1.00 0.00 ATOM 44 N LEU A 6 39.641 41.160 13.377 1.00 0.00 ATOM 45 CA LEU A 6 40.967 40.949 13.946 1.00 0.00 ATOM 46 CB LEU A 6 41.047 41.567 15.348 1.00 0.00 ATOM 47 CG LEU A 6 41.344 43.071 15.382 1.00 0.00 ATOM 48 CD1 LEU A 6 42.634 43.366 14.631 1.00 0.00 ATOM 49 CD2 LEU A 6 40.177 43.833 14.774 1.00 0.00 ATOM 50 O LEU A 6 42.469 39.104 13.630 1.00 0.00 ATOM 51 C LEU A 6 41.319 39.465 13.893 1.00 0.00 ATOM 52 N LEU A 7 40.270 38.628 14.117 1.00 0.00 ATOM 53 CA LEU A 7 40.480 37.181 14.084 1.00 0.00 ATOM 54 CB LEU A 7 39.178 36.461 14.326 1.00 0.00 ATOM 55 CG LEU A 7 39.277 34.931 14.324 1.00 0.00 ATOM 56 CD1 LEU A 7 40.360 34.493 15.299 1.00 0.00 ATOM 57 CD2 LEU A 7 37.918 34.352 14.653 1.00 0.00 ATOM 58 O LEU A 7 41.981 36.031 12.608 1.00 0.00 ATOM 59 C LEU A 7 40.940 36.682 12.723 1.00 0.00 ATOM 60 N VAL A 8 40.166 36.995 11.689 1.00 0.00 ATOM 61 CA VAL A 8 40.438 36.492 10.346 1.00 0.00 ATOM 62 CB VAL A 8 39.857 35.082 10.132 1.00 0.00 ATOM 63 CG1 VAL A 8 38.369 35.066 10.451 1.00 0.00 ATOM 64 CG2 VAL A 8 40.100 34.619 8.704 1.00 0.00 ATOM 65 O VAL A 8 39.021 38.268 9.576 1.00 0.00 ATOM 66 C VAL A 8 39.885 37.437 9.289 1.00 0.00 ATOM 67 N ARG A 9 40.384 37.306 8.065 1.00 0.00 ATOM 68 CA ARG A 9 39.902 38.111 6.950 1.00 0.00 ATOM 69 CB ARG A 9 40.995 37.645 5.713 1.00 0.00 ATOM 70 CG ARG A 9 42.281 36.940 6.141 1.00 0.00 ATOM 71 CD ARG A 9 43.057 36.438 4.934 1.00 0.00 ATOM 72 NE ARG A 9 42.229 35.620 4.050 1.00 0.00 ATOM 73 CZ ARG A 9 42.682 34.995 2.967 1.00 0.00 ATOM 74 NH1 ARG A 9 43.962 35.090 2.628 1.00 0.00 ATOM 75 NH2 ARG A 9 41.860 34.275 2.217 1.00 0.00 ATOM 76 O ARG A 9 37.837 38.451 5.763 1.00 0.00 ATOM 77 C ARG A 9 38.509 37.697 6.472 1.00 0.00 ATOM 78 N GLY A 10 38.116 36.446 6.936 1.00 0.00 ATOM 79 CA GLY A 10 36.797 35.951 6.568 1.00 0.00 ATOM 80 O GLY A 10 36.544 35.166 8.797 1.00 0.00 ATOM 81 C GLY A 10 35.991 35.662 7.819 1.00 0.00 ATOM 82 N ILE A 11 34.707 35.969 7.797 1.00 0.00 ATOM 83 CA ILE A 11 33.851 35.741 8.964 1.00 0.00 ATOM 84 CB ILE A 11 33.269 37.103 9.380 1.00 0.00 ATOM 85 CG1 ILE A 11 32.448 36.963 10.666 1.00 0.00 ATOM 86 CG2 ILE A 11 32.416 37.683 8.262 1.00 0.00 ATOM 87 CD1 ILE A 11 32.089 38.284 11.308 1.00 0.00 ATOM 88 O ILE A 11 32.172 34.797 7.522 1.00 0.00 ATOM 89 C ILE A 11 32.731 34.745 8.619 1.00 0.00 ATOM 90 N ASN A 12 32.412 33.762 9.568 1.00 0.00 ATOM 91 CA ASN A 12 31.342 32.799 9.337 1.00 0.00 ATOM 92 CB ASN A 12 31.544 31.537 10.155 1.00 0.00 ATOM 93 CG ASN A 12 32.703 30.696 9.696 1.00 0.00 ATOM 94 ND2 ASN A 12 33.162 29.841 10.573 1.00 0.00 ATOM 95 OD1 ASN A 12 33.129 30.769 8.538 1.00 0.00 ATOM 96 O ASN A 12 29.823 34.157 10.603 1.00 0.00 ATOM 97 C ASN A 12 29.969 33.366 9.672 1.00 0.00 ATOM 98 N VAL A 13 28.963 32.960 8.904 1.00 0.00 ATOM 99 CA VAL A 13 27.604 33.449 9.098 1.00 0.00 ATOM 100 CB VAL A 13 26.597 32.692 8.215 1.00 0.00 ATOM 101 CG1 VAL A 13 26.442 31.255 8.695 1.00 0.00 ATOM 102 CG2 VAL A 13 25.249 33.397 8.216 1.00 0.00 ATOM 103 O VAL A 13 27.194 32.296 11.162 1.00 0.00 ATOM 104 C VAL A 13 27.157 33.364 10.553 1.00 0.00 ATOM 105 N GLY A 14 26.709 34.492 11.096 1.00 0.00 ATOM 106 CA GLY A 14 26.266 34.551 12.482 1.00 0.00 ATOM 107 O GLY A 14 26.032 36.828 11.788 1.00 0.00 ATOM 108 C GLY A 14 26.185 36.045 12.727 1.00 0.00 ATOM 109 N GLY A 15 26.274 36.456 14.053 1.00 0.00 ATOM 110 CA GLY A 15 26.203 37.867 14.382 1.00 0.00 ATOM 111 O GLY A 15 24.315 37.349 15.769 1.00 0.00 ATOM 112 C GLY A 15 24.997 38.226 15.239 1.00 0.00 ATOM 113 N LYS A 16 24.691 39.518 15.311 1.00 0.00 ATOM 114 CA LYS A 16 23.575 39.998 16.116 1.00 0.00 ATOM 115 CB LYS A 16 23.562 41.527 16.158 1.00 0.00 ATOM 116 CG LYS A 16 24.730 42.145 16.917 1.00 0.00 ATOM 117 CD LYS A 16 24.632 43.662 16.938 1.00 0.00 ATOM 118 CE LYS A 16 25.821 44.284 17.657 1.00 0.00 ATOM 119 NZ LYS A 16 25.738 45.770 17.688 1.00 0.00 ATOM 120 O LYS A 16 22.010 39.480 14.374 1.00 0.00 ATOM 121 C LYS A 16 22.247 39.478 15.582 1.00 0.00 ATOM 122 N ASN A 17 21.383 39.032 16.488 1.00 0.00 ATOM 123 CA ASN A 17 20.055 38.564 16.115 1.00 0.00 ATOM 124 CB ASN A 17 19.677 37.353 16.972 1.00 0.00 ATOM 125 CG ASN A 17 20.547 36.147 16.646 1.00 0.00 ATOM 126 ND2 ASN A 17 20.683 35.236 17.600 1.00 0.00 ATOM 127 OD1 ASN A 17 21.106 36.033 15.554 1.00 0.00 ATOM 128 O ASN A 17 17.824 39.396 16.016 1.00 0.00 ATOM 129 C ASN A 17 18.994 39.651 16.255 1.00 0.00 ATOM 130 N LYS A 18 19.387 40.848 16.672 1.00 0.00 ATOM 131 CA LYS A 18 18.444 41.921 16.957 1.00 0.00 ATOM 132 CB LYS A 18 18.588 42.402 18.394 1.00 0.00 ATOM 133 CG LYS A 18 18.301 41.345 19.460 1.00 0.00 ATOM 134 CD LYS A 18 18.683 41.858 20.849 1.00 0.00 ATOM 135 CE LYS A 18 18.502 40.794 21.925 1.00 0.00 ATOM 136 NZ LYS A 18 19.250 39.547 21.577 1.00 0.00 ATOM 137 O LYS A 18 17.764 43.999 15.977 1.00 0.00 ATOM 138 C LYS A 18 18.496 43.015 15.884 1.00 0.00 ATOM 139 N VAL A 19 19.288 42.775 14.858 1.00 0.00 ATOM 140 CA VAL A 19 19.485 43.800 13.820 1.00 0.00 ATOM 141 CB VAL A 19 20.893 44.422 13.865 1.00 0.00 ATOM 142 CG1 VAL A 19 21.115 45.142 15.186 1.00 0.00 ATOM 143 CG2 VAL A 19 21.954 43.353 13.657 1.00 0.00 ATOM 144 O VAL A 19 19.278 41.974 12.279 1.00 0.00 ATOM 145 C VAL A 19 19.268 43.194 12.440 1.00 0.00 ATOM 146 N VAL A 20 19.079 44.053 11.446 1.00 0.00 ATOM 147 CA VAL A 20 18.908 43.605 10.067 1.00 0.00 ATOM 148 CB VAL A 20 18.422 44.750 9.161 1.00 0.00 ATOM 149 CG1 VAL A 20 17.093 45.300 9.659 1.00 0.00 ATOM 150 CG2 VAL A 20 19.463 45.857 9.096 1.00 0.00 ATOM 151 O VAL A 20 21.288 43.341 9.971 1.00 0.00 ATOM 152 C VAL A 20 20.197 43.030 9.499 1.00 0.00 ATOM 153 N MET A 21 20.063 42.182 8.484 1.00 0.00 ATOM 154 CA MET A 21 21.208 41.483 7.913 1.00 0.00 ATOM 155 CB MET A 21 20.740 40.437 6.903 1.00 0.00 ATOM 156 CG MET A 21 19.981 39.268 7.515 1.00 0.00 ATOM 157 SD MET A 21 20.993 38.308 8.660 1.00 0.00 ATOM 158 CE MET A 21 20.496 39.019 10.227 1.00 0.00 ATOM 159 O MET A 21 23.386 42.292 7.314 1.00 0.00 ATOM 160 C MET A 21 22.169 42.444 7.219 1.00 0.00 ATOM 161 N ALA A 22 21.620 43.429 6.527 1.00 0.00 ATOM 162 CA ALA A 22 22.435 44.406 5.811 1.00 0.00 ATOM 163 CB ALA A 22 21.543 45.414 5.103 1.00 0.00 ATOM 164 O ALA A 22 24.528 45.368 6.471 1.00 0.00 ATOM 165 C ALA A 22 23.333 45.219 6.734 1.00 0.00 ATOM 166 N GLU A 23 22.772 45.764 7.814 1.00 0.00 ATOM 167 CA GLU A 23 23.565 46.561 8.741 1.00 0.00 ATOM 168 CB GLU A 23 22.733 47.078 9.873 1.00 0.00 ATOM 169 CG GLU A 23 22.035 48.381 9.518 1.00 0.00 ATOM 170 CD GLU A 23 20.843 48.709 10.406 1.00 0.00 ATOM 171 OE1 GLU A 23 20.501 47.914 11.318 1.00 0.00 ATOM 172 OE2 GLU A 23 20.241 49.781 10.183 1.00 0.00 ATOM 173 O GLU A 23 25.736 46.157 9.672 1.00 0.00 ATOM 174 C GLU A 23 24.617 45.701 9.441 1.00 0.00 ATOM 175 N LEU A 24 24.302 44.505 9.785 1.00 0.00 ATOM 176 CA LEU A 24 25.237 43.595 10.435 1.00 0.00 ATOM 177 CB LEU A 24 24.548 42.260 10.746 1.00 0.00 ATOM 178 CG LEU A 24 25.437 41.210 11.424 1.00 0.00 ATOM 179 CD1 LEU A 24 25.921 41.725 12.772 1.00 0.00 ATOM 180 CD2 LEU A 24 24.655 39.914 11.591 1.00 0.00 ATOM 181 O LEU A 24 27.573 43.408 9.976 1.00 0.00 ATOM 182 C LEU A 24 26.441 43.346 9.529 1.00 0.00 ATOM 183 N ARG A 25 26.175 43.128 8.226 1.00 0.00 ATOM 184 CA ARG A 25 27.276 42.883 7.285 1.00 0.00 ATOM 185 CB ARG A 25 26.729 42.322 5.980 1.00 0.00 ATOM 186 CG ARG A 25 26.410 40.836 6.008 1.00 0.00 ATOM 187 CD ARG A 25 25.401 40.445 7.025 1.00 0.00 ATOM 188 NE ARG A 25 25.093 39.025 7.053 1.00 0.00 ATOM 189 CZ ARG A 25 24.174 38.427 6.270 1.00 0.00 ATOM 190 NH1 ARG A 25 23.446 39.124 5.426 1.00 0.00 ATOM 191 NH2 ARG A 25 24.005 37.120 6.391 1.00 0.00 ATOM 192 O ARG A 25 29.328 44.094 6.907 1.00 0.00 ATOM 193 C ARG A 25 28.102 44.160 7.060 1.00 0.00 ATOM 194 N GLN A 26 27.436 45.315 7.049 1.00 0.00 ATOM 195 CA GLN A 26 28.133 46.590 6.873 1.00 0.00 ATOM 196 CB GLN A 26 27.139 47.753 6.898 1.00 0.00 ATOM 197 CG GLN A 26 26.245 47.837 5.672 1.00 0.00 ATOM 198 CD GLN A 26 25.207 48.937 5.786 1.00 0.00 ATOM 199 OE1 GLN A 26 25.099 49.603 6.819 1.00 0.00 ATOM 200 NE2 GLN A 26 24.431 49.129 4.724 1.00 0.00 ATOM 201 O GLN A 26 30.314 47.173 7.720 1.00 0.00 ATOM 202 C GLN A 26 29.182 46.744 7.976 1.00 0.00 ATOM 203 N GLU A 27 28.799 46.404 9.204 1.00 0.00 ATOM 204 CA GLU A 27 29.684 46.507 10.355 1.00 0.00 ATOM 205 CB GLU A 27 28.921 46.197 11.646 1.00 0.00 ATOM 206 CG GLU A 27 27.913 47.263 12.051 1.00 0.00 ATOM 207 CD GLU A 27 27.120 46.835 13.253 1.00 0.00 ATOM 208 OE1 GLU A 27 27.301 45.725 13.696 1.00 0.00 ATOM 209 OE2 GLU A 27 26.415 47.650 13.796 1.00 0.00 ATOM 210 O GLU A 27 31.979 45.887 10.671 1.00 0.00 ATOM 211 C GLU A 27 30.867 45.550 10.265 1.00 0.00 ATOM 212 N LEU A 28 30.642 44.328 9.722 1.00 0.00 ATOM 213 CA LEU A 28 31.701 43.339 9.567 1.00 0.00 ATOM 214 CB LEU A 28 31.193 41.996 9.069 1.00 0.00 ATOM 215 CG LEU A 28 30.176 41.325 10.022 1.00 0.00 ATOM 216 CD1 LEU A 28 29.689 39.975 9.515 1.00 0.00 ATOM 217 CD2 LEU A 28 30.791 41.158 11.409 1.00 0.00 ATOM 218 O LEU A 28 33.961 43.804 8.881 1.00 0.00 ATOM 219 C LEU A 28 32.758 43.878 8.604 1.00 0.00 ATOM 220 N THR A 29 32.309 44.421 7.474 1.00 0.00 ATOM 221 CA THR A 29 33.217 44.976 6.478 1.00 0.00 ATOM 222 CB THR A 29 32.469 45.586 5.280 1.00 0.00 ATOM 223 CG2 THR A 29 33.416 46.184 4.275 1.00 0.00 ATOM 224 OG1 THR A 29 31.668 44.569 4.675 1.00 0.00 ATOM 225 O THR A 29 35.221 46.260 6.846 1.00 0.00 ATOM 226 C THR A 29 34.010 46.153 7.049 1.00 0.00 ATOM 227 N ASN A 30 33.315 47.032 7.756 1.00 0.00 ATOM 228 CA ASN A 30 33.935 48.203 8.364 1.00 0.00 ATOM 229 CB ASN A 30 32.927 49.022 9.150 1.00 0.00 ATOM 230 CG ASN A 30 31.969 49.792 8.285 1.00 0.00 ATOM 231 ND2 ASN A 30 30.920 50.278 8.900 1.00 0.00 ATOM 232 OD1 ASN A 30 32.213 50.010 7.093 1.00 0.00 ATOM 233 O ASN A 30 36.006 48.676 9.483 1.00 0.00 ATOM 234 C ASN A 30 35.073 47.885 9.317 1.00 0.00 ATOM 235 N LEU A 31 35.039 46.672 9.904 1.00 0.00 ATOM 236 CA LEU A 31 36.081 46.221 10.821 1.00 0.00 ATOM 237 CB LEU A 31 35.592 45.045 11.675 1.00 0.00 ATOM 238 CG LEU A 31 34.511 45.391 12.708 1.00 0.00 ATOM 239 CD1 LEU A 31 34.010 44.122 13.383 1.00 0.00 ATOM 240 CD2 LEU A 31 35.079 46.361 13.735 1.00 0.00 ATOM 241 O LEU A 31 38.444 45.856 10.661 1.00 0.00 ATOM 242 C LEU A 31 37.353 45.808 10.088 1.00 0.00 ATOM 243 N GLY A 32 37.215 45.367 8.844 1.00 0.00 ATOM 244 CA GLY A 32 38.387 44.946 8.093 1.00 0.00 ATOM 245 O GLY A 32 39.111 43.203 6.627 1.00 0.00 ATOM 246 C GLY A 32 38.243 43.595 7.410 1.00 0.00 ATOM 247 N LEU A 33 37.168 42.872 7.716 1.00 0.00 ATOM 248 CA LEU A 33 36.931 41.571 7.086 1.00 0.00 ATOM 249 CB LEU A 33 35.747 40.891 7.736 1.00 0.00 ATOM 250 CG LEU A 33 35.988 40.305 9.111 1.00 0.00 ATOM 251 CD1 LEU A 33 34.681 39.903 9.722 1.00 0.00 ATOM 252 CD2 LEU A 33 36.898 39.126 8.983 1.00 0.00 ATOM 253 O LEU A 33 35.726 42.737 5.361 1.00 0.00 ATOM 254 C LEU A 33 36.512 41.832 5.644 1.00 0.00 ATOM 255 N GLU A 34 37.084 40.954 4.727 1.00 0.00 ATOM 256 CA GLU A 34 36.828 41.071 3.298 1.00 0.00 ATOM 257 CB GLU A 34 38.122 41.208 2.480 1.00 0.00 ATOM 258 CG GLU A 34 38.886 42.527 2.581 1.00 0.00 ATOM 259 CD GLU A 34 38.097 43.791 2.221 1.00 0.00 ATOM 260 OE1 GLU A 34 37.441 43.828 1.160 1.00 0.00 ATOM 261 OE2 GLU A 34 38.128 44.788 2.991 1.00 0.00 ATOM 262 O GLU A 34 35.327 40.039 1.741 1.00 0.00 ATOM 263 C GLU A 34 35.980 39.918 2.778 1.00 0.00 ATOM 264 N LYS A 35 35.991 38.781 3.492 1.00 0.00 ATOM 265 CA LYS A 35 35.228 37.615 3.072 1.00 0.00 ATOM 266 CB LYS A 35 36.288 36.536 2.841 1.00 0.00 ATOM 267 CG LYS A 35 35.787 35.312 2.084 1.00 0.00 ATOM 268 CD LYS A 35 36.888 34.277 1.916 1.00 0.00 ATOM 269 CE LYS A 35 36.451 33.150 0.991 1.00 0.00 ATOM 270 NZ LYS A 35 36.385 33.587 -0.429 1.00 0.00 ATOM 271 O LYS A 35 34.405 37.206 5.283 1.00 0.00 ATOM 272 C LYS A 35 34.186 37.139 4.074 1.00 0.00 ATOM 273 N VAL A 36 33.038 36.695 3.573 1.00 0.00 ATOM 274 CA VAL A 36 32.001 36.158 4.444 1.00 0.00 ATOM 275 CB VAL A 36 30.732 37.030 4.424 1.00 0.00 ATOM 276 CG1 VAL A 36 29.654 36.421 5.307 1.00 0.00 ATOM 277 CG2 VAL A 36 31.052 38.447 4.877 1.00 0.00 ATOM 278 O VAL A 36 31.592 34.494 2.763 1.00 0.00 ATOM 279 C VAL A 36 31.729 34.733 3.968 1.00 0.00 ATOM 280 N GLU A 37 31.747 33.774 4.886 1.00 0.00 ATOM 281 CA GLU A 37 31.418 32.406 4.510 1.00 0.00 ATOM 282 CB GLU A 37 32.179 31.365 4.392 1.00 0.00 ATOM 283 CG GLU A 37 31.814 30.102 5.168 1.00 0.00 ATOM 284 CD GLU A 37 31.051 29.103 4.323 1.00 0.00 ATOM 285 OE1 GLU A 37 29.997 28.608 4.782 1.00 0.00 ATOM 286 OE2 GLU A 37 31.505 28.810 3.198 1.00 0.00 ATOM 287 O GLU A 37 29.777 31.976 6.251 1.00 0.00 ATOM 288 C GLU A 37 30.013 32.025 5.042 1.00 0.00 ATOM 289 N SER A 38 29.126 31.807 4.112 1.00 0.00 ATOM 290 CA SER A 38 27.725 31.554 4.437 1.00 0.00 ATOM 291 CB SER A 38 26.839 32.626 4.362 1.00 0.00 ATOM 292 OG SER A 38 25.487 32.229 4.447 1.00 0.00 ATOM 293 O SER A 38 27.088 29.488 3.370 1.00 0.00 ATOM 294 C SER A 38 27.365 30.064 4.427 1.00 0.00 ATOM 295 N TYR A 39 27.422 29.411 5.598 1.00 0.00 ATOM 296 CA TYR A 39 27.098 27.989 5.727 1.00 0.00 ATOM 297 CB TYR A 39 26.958 27.811 7.178 1.00 0.00 ATOM 298 CG TYR A 39 28.328 27.267 7.509 1.00 0.00 ATOM 299 CD1 TYR A 39 28.790 26.093 6.913 1.00 0.00 ATOM 300 CD2 TYR A 39 29.190 27.957 8.359 1.00 0.00 ATOM 301 CE1 TYR A 39 30.080 25.621 7.153 1.00 0.00 ATOM 302 CE2 TYR A 39 30.483 27.496 8.606 1.00 0.00 ATOM 303 CZ TYR A 39 30.921 26.329 7.998 1.00 0.00 ATOM 304 OH TYR A 39 32.198 25.866 8.237 1.00 0.00 ATOM 305 O TYR A 39 24.766 28.482 5.976 1.00 0.00 ATOM 306 C TYR A 39 25.613 27.767 5.432 1.00 0.00 ATOM 307 N ILE A 40 25.291 26.796 4.581 1.00 0.00 ATOM 308 CA ILE A 40 23.889 26.512 4.270 1.00 0.00 ATOM 309 CB ILE A 40 23.498 27.054 2.884 1.00 0.00 ATOM 310 CG1 ILE A 40 23.686 28.573 2.831 1.00 0.00 ATOM 311 CG2 ILE A 40 22.062 26.682 2.554 1.00 0.00 ATOM 312 CD1 ILE A 40 23.711 29.136 1.429 1.00 0.00 ATOM 313 O ILE A 40 24.196 24.233 3.589 1.00 0.00 ATOM 314 C ILE A 40 23.558 25.022 4.284 1.00 0.00 ATOM 315 N ASN A 41 22.604 24.634 5.125 1.00 0.00 ATOM 316 CA ASN A 41 22.153 23.249 5.172 1.00 0.00 ATOM 317 CB ASN A 41 21.880 22.821 6.605 1.00 0.00 ATOM 318 CG ASN A 41 21.528 21.365 6.743 1.00 0.00 ATOM 319 ND2 ASN A 41 21.601 20.880 7.958 1.00 0.00 ATOM 320 OD1 ASN A 41 21.124 20.708 5.777 1.00 0.00 ATOM 321 O ASN A 41 19.871 23.737 4.580 1.00 0.00 ATOM 322 C ASN A 41 20.930 23.198 4.258 1.00 0.00 ATOM 323 N SER A 42 21.098 22.593 3.086 1.00 0.00 ATOM 324 CA SER A 42 20.025 22.519 2.101 1.00 0.00 ATOM 325 CB SER A 42 20.611 22.652 0.664 1.00 0.00 ATOM 326 OG SER A 42 21.232 23.892 0.461 1.00 0.00 ATOM 327 O SER A 42 18.148 21.222 1.352 1.00 0.00 ATOM 328 C SER A 42 19.114 21.293 2.113 1.00 0.00 ATOM 329 N GLY A 43 19.405 20.347 3.003 1.00 0.00 ATOM 330 CA GLY A 43 18.610 19.131 3.100 1.00 0.00 ATOM 331 O GLY A 43 16.322 18.456 3.155 1.00 0.00 ATOM 332 C GLY A 43 17.164 19.275 3.525 1.00 0.00 ATOM 333 N ASN A 44 16.859 20.282 4.348 1.00 0.00 ATOM 334 CA ASN A 44 15.498 20.493 4.822 1.00 0.00 ATOM 335 CB ASN A 44 15.397 21.090 6.213 1.00 0.00 ATOM 336 CG ASN A 44 15.809 20.148 7.309 1.00 0.00 ATOM 337 ND2 ASN A 44 16.164 20.710 8.435 1.00 0.00 ATOM 338 OD1 ASN A 44 15.740 18.923 7.160 1.00 0.00 ATOM 339 O ASN A 44 13.495 21.558 4.011 1.00 0.00 ATOM 340 C ASN A 44 14.693 21.334 3.823 1.00 0.00 ATOM 341 N ILE A 45 15.335 21.738 2.728 1.00 0.00 ATOM 342 CA ILE A 45 14.697 22.567 1.704 1.00 0.00 ATOM 343 CB ILE A 45 15.406 23.927 1.585 1.00 0.00 ATOM 344 CG1 ILE A 45 16.875 23.730 1.193 1.00 0.00 ATOM 345 CG2 ILE A 45 15.300 24.700 2.890 1.00 0.00 ATOM 346 CD1 ILE A 45 17.576 25.008 0.795 1.00 0.00 ATOM 347 O ILE A 45 14.247 22.554 -0.612 1.00 0.00 ATOM 348 C ILE A 45 14.618 21.896 0.353 1.00 0.00 ATOM 349 N PHE A 46 15.005 20.615 0.303 1.00 0.00 ATOM 350 CA PHE A 46 14.977 19.855 -0.952 1.00 0.00 ATOM 351 CB PHE A 46 16.284 19.094 -1.181 1.00 0.00 ATOM 352 CG PHE A 46 16.279 18.242 -2.420 1.00 0.00 ATOM 353 CD1 PHE A 46 16.514 18.803 -3.666 1.00 0.00 ATOM 354 CD2 PHE A 46 16.039 16.878 -2.340 1.00 0.00 ATOM 355 CE1 PHE A 46 16.511 18.022 -4.805 1.00 0.00 ATOM 356 CE2 PHE A 46 16.036 16.094 -3.478 1.00 0.00 ATOM 357 CZ PHE A 46 16.271 16.668 -4.711 1.00 0.00 ATOM 358 O PHE A 46 13.571 18.159 0.044 1.00 0.00 ATOM 359 C PHE A 46 13.841 18.845 -0.950 1.00 0.00 ATOM 360 N PHE A 47 13.063 18.713 -2.102 1.00 0.00 ATOM 361 CA PHE A 47 11.940 17.770 -2.194 1.00 0.00 ATOM 362 CB PHE A 47 10.676 18.493 -1.789 1.00 0.00 ATOM 363 CG PHE A 47 10.674 18.897 -0.355 1.00 0.00 ATOM 364 CD1 PHE A 47 10.438 17.961 0.645 1.00 0.00 ATOM 365 CD2 PHE A 47 10.896 20.213 0.011 1.00 0.00 ATOM 366 CE1 PHE A 47 10.424 18.343 1.974 1.00 0.00 ATOM 367 CE2 PHE A 47 10.885 20.598 1.342 1.00 0.00 ATOM 368 CZ PHE A 47 10.648 19.664 2.321 1.00 0.00 ATOM 369 O PHE A 47 12.178 18.085 -4.572 1.00 0.00 ATOM 370 C PHE A 47 11.580 17.498 -3.657 1.00 0.00 ATOM 371 N THR A 48 10.467 16.741 -3.832 1.00 0.00 ATOM 372 CA THR A 48 9.997 16.479 -5.197 1.00 0.00 ATOM 373 CB THR A 48 8.738 15.595 -5.151 1.00 0.00 ATOM 374 CG2 THR A 48 8.152 15.426 -6.544 1.00 0.00 ATOM 375 OG1 THR A 48 9.073 14.307 -4.619 1.00 0.00 ATOM 376 O THR A 48 9.692 17.895 -7.108 1.00 0.00 ATOM 377 C THR A 48 9.657 17.796 -5.883 1.00 0.00 ATOM 378 N SER A 49 9.282 18.834 -5.071 1.00 0.00 ATOM 379 CA SER A 49 8.940 20.148 -5.597 1.00 0.00 ATOM 380 CB SER A 49 7.792 20.745 -4.806 1.00 0.00 ATOM 381 OG SER A 49 7.499 22.055 -5.209 1.00 0.00 ATOM 382 O SER A 49 10.899 21.114 -4.600 1.00 0.00 ATOM 383 C SER A 49 10.144 21.082 -5.573 1.00 0.00 ATOM 384 N ILE A 50 10.255 21.809 -6.761 1.00 0.00 ATOM 385 CA ILE A 50 11.360 22.752 -6.885 1.00 0.00 ATOM 386 CB ILE A 50 11.940 22.759 -8.312 1.00 0.00 ATOM 387 CG1 ILE A 50 12.560 21.397 -8.639 1.00 0.00 ATOM 388 CG2 ILE A 50 12.971 23.866 -8.462 1.00 0.00 ATOM 389 CD1 ILE A 50 12.937 21.234 -10.096 1.00 0.00 ATOM 390 O ILE A 50 11.683 24.926 -5.918 1.00 0.00 ATOM 391 C ILE A 50 10.928 24.171 -6.534 1.00 0.00 ATOM 392 N ASP A 51 9.717 24.533 -6.944 1.00 0.00 ATOM 393 CA ASP A 51 9.175 25.855 -6.658 1.00 0.00 ATOM 394 CB ASP A 51 7.761 25.989 -7.227 1.00 0.00 ATOM 395 CG ASP A 51 7.703 26.119 -8.744 1.00 0.00 ATOM 396 OD1 ASP A 51 8.733 26.321 -9.343 1.00 0.00 ATOM 397 OD2 ASP A 51 6.665 25.860 -9.304 1.00 0.00 ATOM 398 O ASP A 51 9.288 27.266 -4.719 1.00 0.00 ATOM 399 C ASP A 51 9.160 26.122 -5.158 1.00 0.00 ATOM 400 N SER A 52 9.005 25.060 -4.375 1.00 0.00 ATOM 401 CA SER A 52 8.984 25.174 -2.921 1.00 0.00 ATOM 402 CB SER A 52 8.705 23.823 -2.293 1.00 0.00 ATOM 403 OG SER A 52 7.421 23.357 -2.595 1.00 0.00 ATOM 404 O SER A 52 10.335 26.234 -1.273 1.00 0.00 ATOM 405 C SER A 52 10.318 25.629 -2.351 1.00 0.00 ATOM 406 N LYS A 53 11.408 25.352 -3.036 1.00 0.00 ATOM 407 CA LYS A 53 12.723 25.770 -2.578 1.00 0.00 ATOM 408 CB LYS A 53 13.806 24.691 -3.258 1.00 0.00 ATOM 409 CG LYS A 53 13.256 23.339 -3.688 1.00 0.00 ATOM 410 CD LYS A 53 14.194 22.623 -4.646 1.00 0.00 ATOM 411 CE LYS A 53 15.540 22.337 -3.998 1.00 0.00 ATOM 412 NZ LYS A 53 15.395 21.544 -2.743 1.00 0.00 ATOM 413 O LYS A 53 14.090 27.728 -2.801 1.00 0.00 ATOM 414 C LYS A 53 13.001 27.199 -3.022 1.00 0.00 ATOM 415 N ALA A 54 12.010 27.820 -3.654 1.00 0.00 ATOM 416 CA ALA A 54 12.150 29.190 -4.138 1.00 0.00 ATOM 417 CB ALA A 54 10.965 29.564 -5.014 1.00 0.00 ATOM 418 O ALA A 54 13.096 31.091 -3.026 1.00 0.00 ATOM 419 C ALA A 54 12.311 30.148 -2.961 1.00 0.00 ATOM 420 N GLN A 55 11.574 29.893 -1.887 1.00 0.00 ATOM 421 CA GLN A 55 11.652 30.750 -0.707 1.00 0.00 ATOM 422 CB GLN A 55 10.606 30.305 0.319 1.00 0.00 ATOM 423 CG GLN A 55 9.169 30.538 -0.116 1.00 0.00 ATOM 424 CD GLN A 55 8.166 29.979 0.875 1.00 0.00 ATOM 425 OE1 GLN A 55 8.537 29.319 1.849 1.00 0.00 ATOM 426 NE2 GLN A 55 6.887 30.236 0.628 1.00 0.00 ATOM 427 O GLN A 55 13.611 31.843 0.151 1.00 0.00 ATOM 428 C GLN A 55 13.054 30.775 -0.112 1.00 0.00 ATOM 429 N LEU A 56 13.624 29.594 0.093 1.00 0.00 ATOM 430 CA LEU A 56 14.963 29.467 0.653 1.00 0.00 ATOM 431 CB LEU A 56 15.216 27.987 1.066 1.00 0.00 ATOM 432 CG LEU A 56 16.315 27.584 2.068 1.00 0.00 ATOM 433 CD1 LEU A 56 17.676 28.158 1.832 1.00 0.00 ATOM 434 CD2 LEU A 56 15.808 27.783 3.497 1.00 0.00 ATOM 435 O LEU A 56 16.884 30.825 0.182 1.00 0.00 ATOM 436 C LEU A 56 16.018 30.070 -0.271 1.00 0.00 ATOM 437 N VAL A 57 15.932 29.748 -1.561 1.00 0.00 ATOM 438 CA VAL A 57 16.885 30.260 -2.548 1.00 0.00 ATOM 439 CB VAL A 57 16.564 29.889 -3.977 1.00 0.00 ATOM 440 CG1 VAL A 57 15.198 30.417 -4.409 1.00 0.00 ATOM 441 CG2 VAL A 57 17.653 30.410 -4.901 1.00 0.00 ATOM 442 O VAL A 57 17.945 32.418 -2.608 1.00 0.00 ATOM 443 C VAL A 57 16.882 31.792 -2.579 1.00 0.00 ATOM 444 N GLU A 58 15.693 32.386 -2.552 1.00 0.00 ATOM 445 CA GLU A 58 15.567 33.845 -2.570 1.00 0.00 ATOM 446 CB GLU A 58 14.090 34.252 -2.588 1.00 0.00 ATOM 447 CG GLU A 58 13.370 33.956 -3.896 1.00 0.00 ATOM 448 CD GLU A 58 11.903 34.264 -3.793 1.00 0.00 ATOM 449 OE1 GLU A 58 11.463 34.619 -2.726 1.00 0.00 ATOM 450 OE2 GLU A 58 11.243 34.254 -4.805 1.00 0.00 ATOM 451 O GLU A 58 16.963 35.506 -1.563 1.00 0.00 ATOM 452 C GLU A 58 16.268 34.504 -1.392 1.00 0.00 ATOM 453 N LYS A 59 16.084 33.946 -0.200 1.00 0.00 ATOM 454 CA LYS A 59 16.701 34.487 1.001 1.00 0.00 ATOM 455 CB LYS A 59 16.154 33.787 2.245 1.00 0.00 ATOM 456 CG LYS A 59 16.701 34.327 3.561 1.00 0.00 ATOM 457 CD LYS A 59 16.048 33.643 4.753 1.00 0.00 ATOM 458 CE LYS A 59 16.612 34.162 6.068 1.00 0.00 ATOM 459 NZ LYS A 59 16.000 33.481 7.242 1.00 0.00 ATOM 460 O LYS A 59 18.950 35.297 1.299 1.00 0.00 ATOM 461 C LYS A 59 18.230 34.356 0.948 1.00 0.00 ATOM 462 N LEU A 60 18.720 33.206 0.493 1.00 0.00 ATOM 463 CA LEU A 60 20.164 32.997 0.380 1.00 0.00 ATOM 464 CB LEU A 60 20.470 31.611 -0.157 1.00 0.00 ATOM 465 CG LEU A 60 20.107 30.463 0.797 1.00 0.00 ATOM 466 CD1 LEU A 60 20.239 29.123 0.089 1.00 0.00 ATOM 467 CD2 LEU A 60 21.013 30.516 2.024 1.00 0.00 ATOM 468 O LEU A 60 21.783 34.667 -0.246 1.00 0.00 ATOM 469 C LEU A 60 20.757 34.048 -0.561 1.00 0.00 ATOM 470 N GLU A 61 20.101 34.274 -1.694 1.00 0.00 ATOM 471 CA GLU A 61 20.579 35.257 -2.664 1.00 0.00 ATOM 472 CB GLU A 61 19.242 35.533 -3.641 1.00 0.00 ATOM 473 CG GLU A 61 19.436 36.011 -5.073 1.00 0.00 ATOM 474 CD GLU A 61 18.138 36.049 -5.854 1.00 0.00 ATOM 475 OE1 GLU A 61 17.445 37.088 -5.814 1.00 0.00 ATOM 476 OE2 GLU A 61 17.810 35.035 -6.509 1.00 0.00 ATOM 477 O GLU A 61 21.505 37.445 -2.280 1.00 0.00 ATOM 478 C GLU A 61 20.595 36.653 -2.041 1.00 0.00 ATOM 479 N THR A 62 19.561 36.985 -1.193 1.00 0.00 ATOM 480 CA THR A 62 19.482 38.287 -0.542 1.00 0.00 ATOM 481 CB THR A 62 18.234 38.370 0.357 1.00 0.00 ATOM 482 CG2 THR A 62 18.162 39.727 1.043 1.00 0.00 ATOM 483 OG1 THR A 62 17.057 38.176 -0.437 1.00 0.00 ATOM 484 O THR A 62 21.339 39.642 0.175 1.00 0.00 ATOM 485 C THR A 62 20.737 38.574 0.289 1.00 0.00 ATOM 486 N PHE A 63 21.135 37.598 1.099 1.00 0.00 ATOM 487 CA PHE A 63 22.315 37.717 1.957 1.00 0.00 ATOM 488 CB PHE A 63 22.376 36.554 2.949 1.00 0.00 ATOM 489 CG PHE A 63 21.221 36.514 3.908 1.00 0.00 ATOM 490 CD1 PHE A 63 20.184 37.431 3.805 1.00 0.00 ATOM 491 CD2 PHE A 63 21.168 35.561 4.916 1.00 0.00 ATOM 492 CE1 PHE A 63 19.122 37.395 4.687 1.00 0.00 ATOM 493 CE2 PHE A 63 20.105 35.523 5.796 1.00 0.00 ATOM 494 CZ PHE A 63 19.081 36.442 5.683 1.00 0.00 ATOM 495 O PHE A 63 24.520 38.530 1.426 1.00 0.00 ATOM 496 C PHE A 63 23.598 37.769 1.115 1.00 0.00 ATOM 497 N PHE A 64 23.639 36.989 0.038 1.00 0.00 ATOM 498 CA PHE A 64 24.784 36.985 -0.873 1.00 0.00 ATOM 499 CB PHE A 64 24.579 35.958 -1.988 1.00 0.00 ATOM 500 CG PHE A 64 24.407 34.551 -1.491 1.00 0.00 ATOM 501 CD1 PHE A 64 24.348 34.282 -0.131 1.00 0.00 ATOM 502 CD2 PHE A 64 24.305 33.493 -2.380 1.00 0.00 ATOM 503 CE1 PHE A 64 24.188 32.988 0.329 1.00 0.00 ATOM 504 CE2 PHE A 64 24.146 32.197 -1.925 1.00 0.00 ATOM 505 CZ PHE A 64 24.087 31.947 -0.567 1.00 0.00 ATOM 506 O PHE A 64 26.051 38.927 -1.546 1.00 0.00 ATOM 507 C PHE A 64 24.940 38.402 -1.449 1.00 0.00 ATOM 508 N ALA A 65 23.823 39.007 -1.785 1.00 0.00 ATOM 509 CA ALA A 65 23.839 40.362 -2.343 1.00 0.00 ATOM 510 CB ALA A 65 22.413 40.629 -3.002 1.00 0.00 ATOM 511 O ALA A 65 24.921 42.405 -1.733 1.00 0.00 ATOM 512 C ALA A 65 24.266 41.437 -1.344 1.00 0.00 ATOM 513 N VAL A 66 23.914 41.310 -0.078 1.00 0.00 ATOM 514 CA VAL A 66 24.369 42.296 0.900 1.00 0.00 ATOM 515 CB VAL A 66 23.844 41.928 2.299 1.00 0.00 ATOM 516 CG1 VAL A 66 24.447 42.847 3.353 1.00 0.00 ATOM 517 CG2 VAL A 66 22.325 42.007 2.336 1.00 0.00 ATOM 518 O VAL A 66 26.487 43.437 0.935 1.00 0.00 ATOM 519 C VAL A 66 25.899 42.356 0.885 1.00 0.00 ATOM 520 N HIS A 67 26.527 41.180 0.823 1.00 0.00 ATOM 521 CA HIS A 67 27.987 41.052 0.816 1.00 0.00 ATOM 522 CB HIS A 67 28.406 39.614 1.142 1.00 0.00 ATOM 523 CG HIS A 67 27.923 39.135 2.475 1.00 0.00 ATOM 524 CD2 HIS A 67 27.037 38.167 2.809 1.00 0.00 ATOM 525 ND1 HIS A 67 28.368 39.674 3.665 1.00 0.00 ATOM 526 CE1 HIS A 67 27.774 39.058 4.672 1.00 0.00 ATOM 527 NE2 HIS A 67 26.962 38.140 4.179 1.00 0.00 ATOM 528 O HIS A 67 29.671 42.110 -0.545 1.00 0.00 ATOM 529 C HIS A 67 28.641 41.430 -0.515 1.00 0.00 ATOM 530 N TYR A 68 28.061 40.979 -1.616 1.00 0.00 ATOM 531 CA TYR A 68 28.581 41.295 -2.941 1.00 0.00 ATOM 532 CB TYR A 68 27.802 40.534 -4.017 1.00 0.00 ATOM 533 CG TYR A 68 28.359 40.706 -5.412 1.00 0.00 ATOM 534 CD1 TYR A 68 29.486 40.009 -5.821 1.00 0.00 ATOM 535 CD2 TYR A 68 27.752 41.563 -6.318 1.00 0.00 ATOM 536 CE1 TYR A 68 29.999 40.162 -7.095 1.00 0.00 ATOM 537 CE2 TYR A 68 28.256 41.725 -7.596 1.00 0.00 ATOM 538 CZ TYR A 68 29.380 41.021 -7.980 1.00 0.00 ATOM 539 OH TYR A 68 29.884 41.178 -9.250 1.00 0.00 ATOM 540 O TYR A 68 29.441 43.370 -3.788 1.00 0.00 ATOM 541 C TYR A 68 28.514 42.802 -3.207 1.00 0.00 ATOM 542 N PRO A 69 27.436 43.452 -2.771 1.00 0.00 ATOM 543 CA PRO A 69 27.295 44.889 -2.980 1.00 0.00 ATOM 544 CB PRO A 69 25.871 45.291 -2.732 1.00 0.00 ATOM 545 CG PRO A 69 25.492 44.230 -1.672 1.00 0.00 ATOM 546 CD PRO A 69 26.089 42.899 -2.385 1.00 0.00 ATOM 547 O PRO A 69 28.755 46.739 -2.522 1.00 0.00 ATOM 548 C PRO A 69 28.370 45.624 -2.166 1.00 0.00 ATOM 549 N PHE A 70 28.842 45.016 -1.075 1.00 0.00 ATOM 550 CA PHE A 70 29.909 45.625 -0.271 1.00 0.00 ATOM 551 CB PHE A 70 29.787 45.155 1.181 1.00 0.00 ATOM 552 CG PHE A 70 28.470 45.496 1.817 1.00 0.00 ATOM 553 CD1 PHE A 70 27.665 46.497 1.292 1.00 0.00 ATOM 554 CD2 PHE A 70 28.032 44.816 2.944 1.00 0.00 ATOM 555 CE1 PHE A 70 26.453 46.811 1.877 1.00 0.00 ATOM 556 CE2 PHE A 70 26.820 45.128 3.531 1.00 0.00 ATOM 557 CZ PHE A 70 26.031 46.126 2.998 1.00 0.00 ATOM 558 O PHE A 70 32.304 45.501 -0.141 1.00 0.00 ATOM 559 C PHE A 70 31.303 45.316 -0.829 1.00 0.00 ATOM 560 N ILE A 71 31.359 44.833 -2.072 1.00 0.00 ATOM 561 CA ILE A 71 32.619 44.485 -2.741 1.00 0.00 ATOM 562 CB ILE A 71 33.261 45.985 -3.306 1.00 0.00 ATOM 563 CG1 ILE A 71 32.235 47.117 -3.389 1.00 0.00 ATOM 564 CG2 ILE A 71 34.123 45.946 -4.569 1.00 0.00 ATOM 565 CD1 ILE A 71 32.305 48.077 -2.230 1.00 0.00 ATOM 566 O ILE A 71 34.644 43.382 -2.058 1.00 0.00 ATOM 567 C ILE A 71 33.414 43.425 -1.981 1.00 0.00 ATOM 568 N GLN A 72 32.709 42.573 -1.245 1.00 0.00 ATOM 569 CA GLN A 72 33.354 41.524 -0.468 1.00 0.00 ATOM 570 CB GLN A 72 32.648 41.350 0.881 1.00 0.00 ATOM 571 CG GLN A 72 32.721 42.569 1.784 1.00 0.00 ATOM 572 CD GLN A 72 32.222 42.278 3.187 1.00 0.00 ATOM 573 OE1 GLN A 72 31.013 42.249 3.437 1.00 0.00 ATOM 574 NE2 GLN A 72 33.150 42.069 4.113 1.00 0.00 ATOM 575 O GLN A 72 32.705 40.060 -2.250 1.00 0.00 ATOM 576 C GLN A 72 33.358 40.205 -1.216 1.00 0.00 ATOM 577 N SER A 73 34.140 39.260 -0.712 1.00 0.00 ATOM 578 CA SER A 73 34.198 37.929 -1.289 1.00 0.00 ATOM 579 CB SER A 73 35.623 37.410 -1.263 1.00 0.00 ATOM 580 OG SER A 73 35.711 36.086 -1.715 1.00 0.00 ATOM 581 O SER A 73 33.051 37.315 0.726 1.00 0.00 ATOM 582 C SER A 73 33.226 37.080 -0.468 1.00 0.00 ATOM 583 N PHE A 74 32.589 36.085 -1.128 1.00 0.00 ATOM 584 CA PHE A 74 31.623 35.243 -0.431 1.00 0.00 ATOM 585 CB PHE A 74 30.192 35.597 -0.839 1.00 0.00 ATOM 586 CG PHE A 74 29.147 34.731 -0.195 1.00 0.00 ATOM 587 CD1 PHE A 74 28.741 34.962 1.110 1.00 0.00 ATOM 588 CD2 PHE A 74 28.567 33.683 -0.896 1.00 0.00 ATOM 589 CE1 PHE A 74 27.779 34.167 1.703 1.00 0.00 ATOM 590 CE2 PHE A 74 27.605 32.888 -0.308 1.00 0.00 ATOM 591 CZ PHE A 74 27.210 33.129 0.994 1.00 0.00 ATOM 592 O PHE A 74 32.111 33.387 -1.864 1.00 0.00 ATOM 593 C PHE A 74 31.858 33.768 -0.723 1.00 0.00 ATOM 594 N SER A 75 31.777 32.947 0.318 1.00 0.00 ATOM 595 CA SER A 75 31.916 31.504 0.165 1.00 0.00 ATOM 596 CB SER A 75 33.066 31.019 1.027 1.00 0.00 ATOM 597 OG SER A 75 33.223 29.627 0.957 1.00 0.00 ATOM 598 O SER A 75 29.845 31.362 1.344 1.00 0.00 ATOM 599 C SER A 75 30.526 30.929 0.416 1.00 0.00 ATOM 600 N LEU A 76 30.064 30.066 -0.460 1.00 0.00 ATOM 601 CA LEU A 76 28.753 29.442 -0.276 1.00 0.00 ATOM 602 CB LEU A 76 27.666 29.903 -1.256 1.00 0.00 ATOM 603 CG LEU A 76 28.071 29.888 -2.736 1.00 0.00 ATOM 604 CD1 LEU A 76 28.077 28.458 -3.260 1.00 0.00 ATOM 605 CD2 LEU A 76 27.109 30.754 -3.534 1.00 0.00 ATOM 606 O LEU A 76 29.823 27.502 -1.172 1.00 0.00 ATOM 607 C LEU A 76 28.943 27.953 -0.424 1.00 0.00 ATOM 608 N LEU A 77 28.005 27.087 0.194 1.00 0.00 ATOM 609 CA LEU A 77 28.056 25.632 0.077 1.00 0.00 ATOM 610 CB LEU A 77 28.539 25.074 1.422 1.00 0.00 ATOM 611 CG LEU A 77 27.709 25.501 2.640 1.00 0.00 ATOM 612 CD1 LEU A 77 26.489 24.602 2.780 1.00 0.00 ATOM 613 CD2 LEU A 77 28.574 25.436 3.891 1.00 0.00 ATOM 614 O LEU A 77 25.660 25.612 0.188 1.00 0.00 ATOM 615 C LEU A 77 26.684 25.008 -0.124 1.00 0.00 ATOM 616 N SER A 78 26.667 23.753 -0.601 1.00 0.00 ATOM 617 CA SER A 78 25.431 22.976 -0.627 1.00 0.00 ATOM 618 CB SER A 78 24.822 23.037 -2.022 1.00 0.00 ATOM 619 OG SER A 78 23.576 22.333 -2.039 1.00 0.00 ATOM 620 O SER A 78 26.815 20.998 -0.585 1.00 0.00 ATOM 621 C SER A 78 25.674 21.475 -0.461 1.00 0.00 ATOM 622 N LEU A 79 24.506 20.782 -0.219 1.00 0.00 ATOM 623 CA LEU A 79 24.560 19.324 -0.039 1.00 0.00 ATOM 624 CB LEU A 79 23.342 18.878 0.780 1.00 0.00 ATOM 625 CG LEU A 79 23.251 19.473 2.192 1.00 0.00 ATOM 626 CD1 LEU A 79 22.080 18.858 2.942 1.00 0.00 ATOM 627 CD2 LEU A 79 24.557 19.227 2.933 1.00 0.00 ATOM 628 O LEU A 79 25.526 17.736 -1.550 1.00 0.00 ATOM 629 C LEU A 79 24.630 18.555 -1.351 1.00 0.00 ATOM 630 N GLU A 80 24.596 15.026 -3.715 1.00 0.00 ATOM 631 CA GLU A 80 23.597 14.448 -4.656 1.00 0.00 ATOM 632 CB GLU A 80 24.391 13.342 -5.489 1.00 0.00 ATOM 633 CG GLU A 80 25.166 12.364 -4.632 1.00 0.00 ATOM 634 CD GLU A 80 26.139 11.538 -5.453 1.00 0.00 ATOM 635 OE1 GLU A 80 26.876 10.721 -4.864 1.00 0.00 ATOM 636 OE2 GLU A 80 26.169 11.711 -6.692 1.00 0.00 ATOM 637 O GLU A 80 21.223 14.081 -4.673 1.00 0.00 ATOM 638 C GLU A 80 22.251 14.025 -4.020 1.00 0.00 ATOM 639 N ASP A 81 22.406 13.704 -2.571 1.00 0.00 ATOM 640 CA ASP A 81 21.177 13.293 -1.922 1.00 0.00 ATOM 641 CB ASP A 81 21.516 12.467 -0.717 1.00 0.00 ATOM 642 CG ASP A 81 20.313 11.804 -0.119 1.00 0.00 ATOM 643 OD1 ASP A 81 19.658 11.062 -0.871 1.00 0.00 ATOM 644 OD2 ASP A 81 20.035 12.010 1.103 1.00 0.00 ATOM 645 O ASP A 81 19.165 14.527 -2.367 1.00 0.00 ATOM 646 C ASP A 81 20.388 14.561 -2.238 1.00 0.00 ATOM 647 N PHE A 82 21.063 15.676 -2.389 1.00 0.00 ATOM 648 CA PHE A 82 20.427 16.949 -2.702 1.00 0.00 ATOM 649 CB PHE A 82 20.677 17.875 -1.525 1.00 0.00 ATOM 650 CG PHE A 82 20.106 17.324 -0.247 1.00 0.00 ATOM 651 CD1 PHE A 82 18.727 17.275 -0.048 1.00 0.00 ATOM 652 CD2 PHE A 82 20.942 16.789 0.730 1.00 0.00 ATOM 653 CE1 PHE A 82 18.188 16.694 1.105 1.00 0.00 ATOM 654 CE2 PHE A 82 20.415 16.209 1.882 1.00 0.00 ATOM 655 CZ PHE A 82 19.036 16.161 2.071 1.00 0.00 ATOM 656 O PHE A 82 21.394 18.682 -4.065 1.00 0.00 ATOM 657 C PHE A 82 21.087 17.493 -3.962 1.00 0.00 ATOM 658 N GLU A 83 21.392 16.533 -4.980 1.00 0.00 ATOM 659 CA GLU A 83 22.012 16.895 -6.245 1.00 0.00 ATOM 660 CB GLU A 83 21.610 15.644 -7.302 1.00 0.00 ATOM 661 CG GLU A 83 22.546 15.318 -8.469 1.00 0.00 ATOM 662 CD GLU A 83 22.084 14.145 -9.305 1.00 0.00 ATOM 663 OE1 GLU A 83 21.825 13.069 -8.735 1.00 0.00 ATOM 664 OE2 GLU A 83 21.986 14.289 -10.541 1.00 0.00 ATOM 665 O GLU A 83 21.673 18.856 -7.603 1.00 0.00 ATOM 666 C GLU A 83 21.150 17.991 -6.893 1.00 0.00 ATOM 667 N ALA A 84 19.840 17.972 -6.637 1.00 0.00 ATOM 668 CA ALA A 84 18.938 18.974 -7.215 1.00 0.00 ATOM 669 CB ALA A 84 17.489 18.606 -6.927 1.00 0.00 ATOM 670 O ALA A 84 19.312 21.338 -7.404 1.00 0.00 ATOM 671 C ALA A 84 19.243 20.351 -6.660 1.00 0.00 ATOM 672 N GLU A 85 19.421 20.421 -5.358 1.00 0.00 ATOM 673 CA GLU A 85 19.732 21.730 -4.785 1.00 0.00 ATOM 674 CB GLU A 85 19.858 21.565 -3.266 1.00 0.00 ATOM 675 CG GLU A 85 20.232 22.839 -2.526 1.00 0.00 ATOM 676 CD GLU A 85 19.227 23.930 -2.774 1.00 0.00 ATOM 677 OE1 GLU A 85 18.186 23.642 -3.314 1.00 0.00 ATOM 678 OE2 GLU A 85 19.451 25.030 -2.324 1.00 0.00 ATOM 679 O GLU A 85 21.155 23.482 -5.716 1.00 0.00 ATOM 680 C GLU A 85 21.044 22.287 -5.376 1.00 0.00 ATOM 681 N LEU A 86 22.043 21.437 -5.499 1.00 0.00 ATOM 682 CA LEU A 86 23.317 21.879 -6.025 1.00 0.00 ATOM 683 CB LEU A 86 24.412 20.775 -5.648 1.00 0.00 ATOM 684 CG LEU A 86 25.775 21.005 -6.335 1.00 0.00 ATOM 685 CD1 LEU A 86 26.544 22.154 -5.698 1.00 0.00 ATOM 686 CD2 LEU A 86 26.578 19.707 -6.320 1.00 0.00 ATOM 687 O LEU A 86 23.952 23.169 -7.926 1.00 0.00 ATOM 688 C LEU A 86 23.259 22.251 -7.503 1.00 0.00 ATOM 689 N GLU A 87 22.435 21.555 -8.286 1.00 0.00 ATOM 690 CA GLU A 87 22.310 21.892 -9.699 1.00 0.00 ATOM 691 CB GLU A 87 21.421 20.871 -10.410 1.00 0.00 ATOM 692 CG GLU A 87 21.300 21.080 -11.913 1.00 0.00 ATOM 693 CD GLU A 87 20.466 20.004 -12.548 1.00 0.00 ATOM 694 OE1 GLU A 87 20.014 19.132 -11.842 1.00 0.00 ATOM 695 OE2 GLU A 87 20.180 20.113 -13.718 1.00 0.00 ATOM 696 O GLU A 87 22.111 24.052 -10.745 1.00 0.00 ATOM 697 C GLU A 87 21.733 23.306 -9.844 1.00 0.00 ATOM 698 N ASN A 88 20.831 23.662 -8.930 1.00 0.00 ATOM 699 CA ASN A 88 20.212 24.980 -8.953 1.00 0.00 ATOM 700 CB ASN A 88 19.030 25.014 -7.968 1.00 0.00 ATOM 701 CG ASN A 88 17.868 24.147 -8.420 1.00 0.00 ATOM 702 ND2 ASN A 88 17.132 23.594 -7.461 1.00 0.00 ATOM 703 OD1 ASN A 88 17.629 23.985 -9.618 1.00 0.00 ATOM 704 O ASN A 88 21.180 27.155 -9.262 1.00 0.00 ATOM 705 C ASN A 88 21.178 26.111 -8.610 1.00 0.00 ATOM 706 N LEU A 89 22.005 25.910 -7.607 1.00 0.00 ATOM 707 CA LEU A 89 22.966 26.929 -7.193 1.00 0.00 ATOM 708 CB LEU A 89 23.759 26.501 -5.951 1.00 0.00 ATOM 709 CG LEU A 89 24.495 27.633 -5.224 1.00 0.00 ATOM 710 CD1 LEU A 89 25.021 27.139 -3.885 1.00 0.00 ATOM 711 CD2 LEU A 89 25.632 28.144 -6.097 1.00 0.00 ATOM 712 O LEU A 89 24.129 28.616 -8.427 1.00 0.00 ATOM 713 C LEU A 89 23.957 27.410 -8.254 1.00 0.00 ATOM 714 N PRO A 90 24.719 26.490 -9.047 1.00 0.00 ATOM 715 CA PRO A 90 25.642 27.019 -10.060 1.00 0.00 ATOM 716 CB PRO A 90 26.313 25.755 -10.619 1.00 0.00 ATOM 717 CG PRO A 90 26.319 24.841 -9.439 1.00 0.00 ATOM 718 CD PRO A 90 24.965 25.051 -8.802 1.00 0.00 ATOM 719 O PRO A 90 25.169 28.856 -11.545 1.00 0.00 ATOM 720 C PRO A 90 24.760 27.815 -11.031 1.00 0.00 ATOM 721 N ALA A 91 23.554 27.321 -11.300 1.00 0.00 ATOM 722 CA ALA A 91 22.656 28.007 -12.219 1.00 0.00 ATOM 723 CB ALA A 91 21.453 27.130 -12.536 1.00 0.00 ATOM 724 O ALA A 91 22.188 30.347 -12.391 1.00 0.00 ATOM 725 C ALA A 91 22.210 29.357 -11.666 1.00 0.00 ATOM 726 N TRP A 92 21.867 29.400 -10.385 1.00 0.00 ATOM 727 CA TRP A 92 21.416 30.641 -9.770 1.00 0.00 ATOM 728 CB TRP A 92 21.059 30.380 -8.295 1.00 0.00 ATOM 729 CG TRP A 92 19.774 29.632 -8.110 1.00 0.00 ATOM 730 CD1 TRP A 92 18.667 29.715 -8.888 1.00 0.00 ATOM 731 CD2 TRP A 92 19.479 28.675 -7.090 1.00 0.00 ATOM 732 CE2 TRP A 92 18.170 28.214 -7.320 1.00 0.00 ATOM 733 CE3 TRP A 92 20.198 28.159 -5.999 1.00 0.00 ATOM 734 NE1 TRP A 92 17.698 28.867 -8.425 1.00 0.00 ATOM 735 CZ2 TRP A 92 17.556 27.253 -6.502 1.00 0.00 ATOM 736 CZ3 TRP A 92 19.590 27.200 -5.184 1.00 0.00 ATOM 737 CH2 TRP A 92 18.278 26.759 -5.443 1.00 0.00 ATOM 738 O TRP A 92 22.362 32.809 -10.214 1.00 0.00 ATOM 739 C TRP A 92 22.546 31.664 -9.787 1.00 0.00 ATOM 740 N TRP A 93 23.712 31.299 -9.341 1.00 0.00 ATOM 741 CA TRP A 93 24.860 32.199 -9.306 1.00 0.00 ATOM 742 CB TRP A 93 25.108 32.427 -7.767 1.00 0.00 ATOM 743 CG TRP A 93 24.140 33.443 -7.241 1.00 0.00 ATOM 744 CD1 TRP A 93 23.042 33.224 -6.457 1.00 0.00 ATOM 745 CD2 TRP A 93 24.296 34.888 -7.361 1.00 0.00 ATOM 746 CE2 TRP A 93 23.212 35.426 -6.674 1.00 0.00 ATOM 747 CE3 TRP A 93 25.220 35.690 -8.013 1.00 0.00 ATOM 748 NE1 TRP A 93 22.451 34.415 -6.173 1.00 0.00 ATOM 749 CZ2 TRP A 93 22.983 36.820 -6.600 1.00 0.00 ATOM 750 CZ3 TRP A 93 25.028 37.095 -7.934 1.00 0.00 ATOM 751 CH2 TRP A 93 23.917 37.580 -7.247 1.00 0.00 ATOM 752 O TRP A 93 26.917 32.687 -10.437 1.00 0.00 ATOM 753 C TRP A 93 25.765 32.253 -10.533 1.00 0.00 ATOM 754 N SER A 94 25.214 31.896 -11.688 1.00 0.00 ATOM 755 CA SER A 94 25.951 31.870 -12.950 1.00 0.00 ATOM 756 CB SER A 94 25.032 31.457 -14.083 1.00 0.00 ATOM 757 OG SER A 94 24.005 32.385 -14.293 1.00 0.00 ATOM 758 O SER A 94 27.680 33.167 -13.995 1.00 0.00 ATOM 759 C SER A 94 26.628 33.182 -13.361 1.00 0.00 ATOM 760 N ARG A 95 26.019 34.310 -13.002 1.00 0.00 ATOM 761 CA ARG A 95 26.548 35.620 -13.373 1.00 0.00 ATOM 762 CB ARG A 95 25.445 36.644 -13.594 1.00 0.00 ATOM 763 CG ARG A 95 24.541 36.360 -14.785 1.00 0.00 ATOM 764 CD ARG A 95 23.456 37.358 -14.979 1.00 0.00 ATOM 765 NE ARG A 95 22.564 37.067 -16.091 1.00 0.00 ATOM 766 CZ ARG A 95 21.442 37.757 -16.370 1.00 0.00 ATOM 767 NH1 ARG A 95 21.048 38.752 -15.605 1.00 0.00 ATOM 768 NH2 ARG A 95 20.729 37.392 -17.424 1.00 0.00 ATOM 769 O ARG A 95 28.409 37.009 -12.807 1.00 0.00 ATOM 770 C ARG A 95 27.622 36.145 -12.417 1.00 0.00 ATOM 771 N ASP A 96 27.664 35.646 -11.188 1.00 0.00 ATOM 772 CA ASP A 96 28.650 36.126 -10.213 1.00 0.00 ATOM 773 CB ASP A 96 28.464 36.142 -8.927 1.00 0.00 ATOM 774 CG ASP A 96 28.375 37.602 -8.523 1.00 0.00 ATOM 775 OD1 ASP A 96 28.744 38.513 -9.312 1.00 0.00 ATOM 776 OD2 ASP A 96 27.985 37.781 -7.358 1.00 0.00 ATOM 777 O ASP A 96 30.384 34.732 -11.104 1.00 0.00 ATOM 778 C ASP A 96 30.094 35.819 -10.603 1.00 0.00 ATOM 779 N LEU A 97 30.990 36.787 -10.411 1.00 0.00 ATOM 780 CA LEU A 97 32.395 36.593 -10.768 1.00 0.00 ATOM 781 CB LEU A 97 33.055 37.939 -11.099 1.00 0.00 ATOM 782 CG LEU A 97 32.441 38.691 -12.288 1.00 0.00 ATOM 783 CD1 LEU A 97 33.121 40.044 -12.454 1.00 0.00 ATOM 784 CD2 LEU A 97 32.586 37.855 -13.550 1.00 0.00 ATOM 785 O LEU A 97 32.608 35.331 -8.736 1.00 0.00 ATOM 786 C LEU A 97 33.194 35.891 -9.671 1.00 0.00 ATOM 787 N ALA A 98 34.522 35.983 -9.748 1.00 0.00 ATOM 788 CA ALA A 98 35.421 35.339 -8.788 1.00 0.00 ATOM 789 CB ALA A 98 36.872 35.651 -9.130 1.00 0.00 ATOM 790 O ALA A 98 35.668 34.946 -6.445 1.00 0.00 ATOM 791 C ALA A 98 35.181 35.657 -7.319 1.00 0.00 ATOM 792 N ARG A 99 34.435 36.722 -7.033 1.00 0.00 ATOM 793 CA ARG A 99 34.129 37.056 -5.648 1.00 0.00 ATOM 794 CB ARG A 99 33.246 38.269 -5.567 1.00 0.00 ATOM 795 CG ARG A 99 34.039 39.508 -5.898 1.00 0.00 ATOM 796 CD ARG A 99 33.236 40.816 -5.738 1.00 0.00 ATOM 797 NE ARG A 99 34.121 41.949 -5.971 1.00 0.00 ATOM 798 CZ ARG A 99 34.443 42.436 -7.177 1.00 0.00 ATOM 799 NH1 ARG A 99 33.933 41.888 -8.285 1.00 0.00 ATOM 800 NH2 ARG A 99 35.310 43.467 -7.277 1.00 0.00 ATOM 801 O ARG A 99 33.371 35.688 -3.848 1.00 0.00 ATOM 802 C ARG A 99 33.319 35.897 -5.080 1.00 0.00 ATOM 803 N LYS A 100 32.556 35.195 -5.785 1.00 0.00 ATOM 804 CA LYS A 100 31.786 34.059 -5.290 1.00 0.00 ATOM 805 CB LYS A 100 30.418 33.995 -5.973 1.00 0.00 ATOM 806 CG LYS A 100 29.526 35.201 -5.709 1.00 0.00 ATOM 807 CD LYS A 100 29.092 35.262 -4.253 1.00 0.00 ATOM 808 CE LYS A 100 27.954 36.251 -4.053 1.00 0.00 ATOM 809 NZ LYS A 100 26.686 35.772 -4.667 1.00 0.00 ATOM 810 O LYS A 100 32.869 32.316 -6.559 1.00 0.00 ATOM 811 C LYS A 100 32.521 32.725 -5.448 1.00 0.00 ATOM 812 N ASP A 101 32.754 32.063 -4.319 1.00 0.00 ATOM 813 CA ASP A 101 33.465 30.783 -4.251 1.00 0.00 ATOM 814 CB ASP A 101 34.662 30.890 -3.301 1.00 0.00 ATOM 815 CG ASP A 101 35.736 31.870 -3.755 1.00 0.00 ATOM 816 OD1 ASP A 101 36.171 31.767 -4.877 1.00 0.00 ATOM 817 OD2 ASP A 101 36.000 32.804 -3.036 1.00 0.00 ATOM 818 O ASP A 101 31.567 29.991 -3.018 1.00 0.00 ATOM 819 C ASP A 101 32.458 29.708 -3.825 1.00 0.00 ATOM 820 N PHE A 102 32.592 28.495 -4.370 1.00 0.00 ATOM 821 CA PHE A 102 31.691 27.391 -4.025 1.00 0.00 ATOM 822 CB PHE A 102 31.086 26.755 -5.279 1.00 0.00 ATOM 823 CG PHE A 102 30.278 27.708 -6.112 1.00 0.00 ATOM 824 CD1 PHE A 102 30.383 29.078 -5.922 1.00 0.00 ATOM 825 CD2 PHE A 102 29.408 27.235 -7.083 1.00 0.00 ATOM 826 CE1 PHE A 102 29.638 29.955 -6.689 1.00 0.00 ATOM 827 CE2 PHE A 102 28.664 28.112 -7.851 1.00 0.00 ATOM 828 CZ PHE A 102 28.780 29.472 -7.652 1.00 0.00 ATOM 829 O PHE A 102 33.608 26.032 -3.641 1.00 0.00 ATOM 830 C PHE A 102 32.488 26.362 -3.254 1.00 0.00 ATOM 831 N LEU A 103 31.901 25.879 -2.162 1.00 0.00 ATOM 832 CA LEU A 103 32.533 24.917 -1.261 1.00 0.00 ATOM 833 CB LEU A 103 32.223 25.343 0.163 1.00 0.00 ATOM 834 CG LEU A 103 32.807 24.496 1.257 1.00 0.00 ATOM 835 CD1 LEU A 103 34.363 24.408 1.045 1.00 0.00 ATOM 836 CD2 LEU A 103 32.444 25.227 2.644 1.00 0.00 ATOM 837 O LEU A 103 30.727 23.335 -1.391 1.00 0.00 ATOM 838 C LEU A 103 31.943 23.514 -1.422 1.00 0.00 ATOM 839 N PHE A 104 32.808 22.539 -1.551 1.00 0.00 ATOM 840 CA PHE A 104 32.373 21.155 -1.782 1.00 0.00 ATOM 841 CB PHE A 104 33.087 20.625 -3.027 1.00 0.00 ATOM 842 CG PHE A 104 32.861 21.460 -4.256 1.00 0.00 ATOM 843 CD1 PHE A 104 31.872 22.434 -4.278 1.00 0.00 ATOM 844 CD2 PHE A 104 33.633 21.274 -5.391 1.00 0.00 ATOM 845 CE1 PHE A 104 31.662 23.201 -5.409 1.00 0.00 ATOM 846 CE2 PHE A 104 33.427 22.040 -6.522 1.00 0.00 ATOM 847 CZ PHE A 104 32.440 23.006 -6.529 1.00 0.00 ATOM 848 O PHE A 104 33.635 20.376 0.101 1.00 0.00 ATOM 849 C PHE A 104 32.652 20.207 -0.629 1.00 0.00 ATOM 850 N TYR A 105 31.773 19.238 -0.428 1.00 0.00 ATOM 851 CA TYR A 105 31.932 18.262 0.645 1.00 0.00 ATOM 852 CB TYR A 105 30.579 17.774 1.169 1.00 0.00 ATOM 853 CG TYR A 105 29.824 18.805 1.977 1.00 0.00 ATOM 854 CD1 TYR A 105 28.839 19.588 1.394 1.00 0.00 ATOM 855 CD2 TYR A 105 30.099 18.992 3.324 1.00 0.00 ATOM 856 CE1 TYR A 105 28.149 20.532 2.129 1.00 0.00 ATOM 857 CE2 TYR A 105 29.417 19.933 4.068 1.00 0.00 ATOM 858 CZ TYR A 105 28.440 20.701 3.467 1.00 0.00 ATOM 859 OH TYR A 105 27.755 21.640 4.204 1.00 0.00 ATOM 860 O TYR A 105 32.793 16.783 -1.036 1.00 0.00 ATOM 861 C TYR A 105 32.709 17.055 0.173 1.00 0.00 ATOM 862 N THR A 106 33.251 16.235 1.104 1.00 0.00 ATOM 863 CA THR A 106 33.915 15.020 0.673 1.00 0.00 ATOM 864 CB THR A 106 35.046 14.772 1.689 1.00 0.00 ATOM 865 CG2 THR A 106 35.849 13.540 1.303 1.00 0.00 ATOM 866 OG1 THR A 106 35.915 15.912 1.729 1.00 0.00 ATOM 867 O THR A 106 32.687 13.274 -0.439 1.00 0.00 ATOM 868 C THR A 106 33.009 13.790 0.643 1.00 0.00 ATOM 869 N GLU A 107 32.521 13.327 1.799 1.00 0.00 ATOM 870 CA GLU A 107 31.654 12.163 1.841 1.00 0.00 ATOM 871 CB GLU A 107 31.486 11.685 3.286 1.00 0.00 ATOM 872 CG GLU A 107 32.757 11.137 3.918 1.00 0.00 ATOM 873 CD GLU A 107 32.529 10.750 5.351 1.00 0.00 ATOM 874 OE1 GLU A 107 31.437 10.940 5.834 1.00 0.00 ATOM 875 OE2 GLU A 107 33.408 10.158 5.933 1.00 0.00 ATOM 876 O GLU A 107 29.752 11.682 0.471 1.00 0.00 ATOM 877 C GLU A 107 30.286 12.484 1.239 1.00 0.00 ATOM 878 N GLY A 108 29.683 13.613 1.618 1.00 0.00 ATOM 879 CA GLY A 108 28.385 13.926 1.027 1.00 0.00 ATOM 880 O GLY A 108 27.592 13.872 -1.217 1.00 0.00 ATOM 881 C GLY A 108 28.509 14.196 -0.462 1.00 0.00 ATOM 882 N LEU A 109 29.568 14.875 -0.878 1.00 0.00 ATOM 883 CA LEU A 109 29.729 15.216 -2.287 1.00 0.00 ATOM 884 CB LEU A 109 29.775 16.731 -2.475 1.00 0.00 ATOM 885 CG LEU A 109 28.432 17.447 -2.338 1.00 0.00 ATOM 886 CD1 LEU A 109 28.619 18.964 -2.378 1.00 0.00 ATOM 887 CD2 LEU A 109 27.448 16.987 -3.401 1.00 0.00 ATOM 888 O LEU A 109 32.026 14.549 -2.040 1.00 0.00 ATOM 889 C LEU A 109 31.008 14.515 -2.735 1.00 0.00 ATOM 890 N ASP A 110 30.945 13.870 -3.894 1.00 0.00 ATOM 891 CA ASP A 110 32.117 13.230 -4.470 1.00 0.00 ATOM 892 CB ASP A 110 31.710 12.278 -5.613 1.00 0.00 ATOM 893 CG ASP A 110 32.880 11.507 -6.148 1.00 0.00 ATOM 894 OD1 ASP A 110 34.007 11.817 -5.698 1.00 0.00 ATOM 895 OD2 ASP A 110 32.669 10.617 -7.000 1.00 0.00 ATOM 896 O ASP A 110 32.299 15.088 -5.979 1.00 0.00 ATOM 897 C ASP A 110 32.764 14.505 -4.995 1.00 0.00 ATOM 898 N VAL A 111 33.819 14.952 -4.325 1.00 0.00 ATOM 899 CA VAL A 111 34.482 16.190 -4.702 1.00 0.00 ATOM 900 CB VAL A 111 35.846 16.338 -4.049 1.00 0.00 ATOM 901 CG1 VAL A 111 36.819 15.317 -4.593 1.00 0.00 ATOM 902 CG2 VAL A 111 36.371 17.758 -4.219 1.00 0.00 ATOM 903 O VAL A 111 34.652 17.418 -6.745 1.00 0.00 ATOM 904 C VAL A 111 34.821 16.342 -6.184 1.00 0.00 ATOM 905 N ASP A 112 35.362 15.297 -6.794 1.00 0.00 ATOM 906 CA ASP A 112 35.752 15.391 -8.200 1.00 0.00 ATOM 907 CB ASP A 112 36.353 14.165 -8.747 1.00 0.00 ATOM 908 CG ASP A 112 37.839 14.088 -8.328 1.00 0.00 ATOM 909 OD1 ASP A 112 38.404 15.141 -8.000 1.00 0.00 ATOM 910 OD2 ASP A 112 38.346 12.938 -8.321 1.00 0.00 ATOM 911 O ASP A 112 34.603 16.500 -9.992 1.00 0.00 ATOM 912 C ASP A 112 34.543 15.653 -9.093 1.00 0.00 ATOM 913 N GLN A 113 33.442 14.952 -8.832 1.00 0.00 ATOM 914 CA GLN A 113 32.241 15.140 -9.636 1.00 0.00 ATOM 915 CB GLN A 113 31.212 14.058 -9.349 1.00 0.00 ATOM 916 CG GLN A 113 30.130 14.016 -10.425 1.00 0.00 ATOM 917 CD GLN A 113 30.698 13.591 -11.770 1.00 0.00 ATOM 918 OE1 GLN A 113 31.334 12.547 -11.872 1.00 0.00 ATOM 919 NE2 GLN A 113 30.476 14.403 -12.804 1.00 0.00 ATOM 920 O GLN A 113 31.106 17.132 -10.306 1.00 0.00 ATOM 921 C GLN A 113 31.603 16.490 -9.375 1.00 0.00 ATOM 922 N VAL A 114 31.654 16.939 -8.133 1.00 0.00 ATOM 923 CA VAL A 114 31.097 18.242 -7.806 1.00 0.00 ATOM 924 CB VAL A 114 31.128 18.504 -6.268 1.00 0.00 ATOM 925 CG1 VAL A 114 30.747 19.941 -5.967 1.00 0.00 ATOM 926 CG2 VAL A 114 30.176 17.547 -5.583 1.00 0.00 ATOM 927 O VAL A 114 31.253 20.292 -9.012 1.00 0.00 ATOM 928 C VAL A 114 31.864 19.370 -8.500 1.00 0.00 ATOM 929 N ILE A 115 33.185 19.284 -8.535 1.00 0.00 ATOM 930 CA ILE A 115 33.971 20.322 -9.215 1.00 0.00 ATOM 931 CB ILE A 115 35.480 20.085 -9.015 1.00 0.00 ATOM 932 CG1 ILE A 115 35.870 20.326 -7.554 1.00 0.00 ATOM 933 CG2 ILE A 115 36.287 20.983 -9.938 1.00 0.00 ATOM 934 CD1 ILE A 115 37.266 19.861 -7.210 1.00 0.00 ATOM 935 O ILE A 115 33.534 21.408 -11.293 1.00 0.00 ATOM 936 C ILE A 115 33.704 20.332 -10.712 1.00 0.00 ATOM 937 N ALA A 116 33.674 19.143 -11.345 1.00 0.00 ATOM 938 CA ALA A 116 33.460 19.091 -12.800 1.00 0.00 ATOM 939 CB ALA A 116 33.548 17.647 -13.265 1.00 0.00 ATOM 940 O ALA A 116 31.961 20.382 -14.151 1.00 0.00 ATOM 941 C ALA A 116 32.090 19.653 -13.172 1.00 0.00 ATOM 942 N THR A 117 31.068 19.325 -12.386 1.00 0.00 ATOM 943 CA THR A 117 29.723 19.812 -12.673 1.00 0.00 ATOM 944 CB THR A 117 28.723 19.130 -11.690 1.00 0.00 ATOM 945 CG2 THR A 117 27.302 19.591 -11.964 1.00 0.00 ATOM 946 OG1 THR A 117 28.794 17.709 -11.856 1.00 0.00 ATOM 947 O THR A 117 29.013 21.979 -13.448 1.00 0.00 ATOM 948 C THR A 117 29.616 21.337 -12.584 1.00 0.00 ATOM 949 N VAL A 118 30.168 21.916 -11.522 1.00 0.00 ATOM 950 CA VAL A 118 30.121 23.361 -11.345 1.00 0.00 ATOM 951 CB VAL A 118 30.688 23.782 -9.976 1.00 0.00 ATOM 952 CG1 VAL A 118 30.815 25.298 -9.896 1.00 0.00 ATOM 953 CG2 VAL A 118 29.808 23.263 -8.851 1.00 0.00 ATOM 954 O VAL A 118 30.365 24.996 -13.087 1.00 0.00 ATOM 955 C VAL A 118 30.887 24.067 -12.463 1.00 0.00 ATOM 956 N GLU A 119 32.127 23.637 -12.709 1.00 0.00 ATOM 957 CA GLU A 119 32.954 24.225 -13.753 1.00 0.00 ATOM 958 CB GLU A 119 34.388 23.698 -13.654 1.00 0.00 ATOM 959 CG GLU A 119 35.155 24.184 -12.433 1.00 0.00 ATOM 960 CD GLU A 119 36.523 23.564 -12.364 1.00 0.00 ATOM 961 OE1 GLU A 119 36.833 22.763 -13.214 1.00 0.00 ATOM 962 OE2 GLU A 119 37.297 23.971 -11.530 1.00 0.00 ATOM 963 O GLU A 119 32.690 24.657 -16.097 1.00 0.00 ATOM 964 C GLU A 119 32.374 23.957 -15.135 1.00 0.00 ATOM 965 N SER A 120 31.518 22.945 -15.227 1.00 0.00 ATOM 966 CA SER A 120 30.908 22.568 -16.496 1.00 0.00 ATOM 967 CB SER A 120 30.583 21.030 -16.477 1.00 0.00 ATOM 968 OG SER A 120 29.377 20.747 -15.779 1.00 0.00 ATOM 969 O SER A 120 29.370 23.529 -18.065 1.00 0.00 ATOM 970 C SER A 120 29.850 23.575 -16.931 1.00 0.00 ATOM 971 N LEU A 121 29.460 24.449 -16.013 1.00 0.00 ATOM 972 CA LEU A 121 28.381 25.398 -16.268 1.00 0.00 ATOM 973 CB LEU A 121 27.520 25.572 -15.010 1.00 0.00 ATOM 974 CG LEU A 121 26.813 24.300 -14.522 1.00 0.00 ATOM 975 CD1 LEU A 121 26.083 24.578 -13.216 1.00 0.00 ATOM 976 CD2 LEU A 121 25.844 23.815 -15.590 1.00 0.00 ATOM 977 O LEU A 121 29.748 26.820 -17.638 1.00 0.00 ATOM 978 C LEU A 121 28.927 26.745 -16.726 1.00 0.00 ATOM 979 N GLU A 122 28.491 27.878 -16.016 1.00 0.00 ATOM 980 CA GLU A 122 28.941 29.231 -16.329 1.00 0.00 ATOM 981 CB GLU A 122 27.788 30.056 -16.905 1.00 0.00 ATOM 982 CG GLU A 122 27.224 29.522 -18.214 1.00 0.00 ATOM 983 CD GLU A 122 26.111 30.393 -18.725 1.00 0.00 ATOM 984 OE1 GLU A 122 25.747 31.320 -18.042 1.00 0.00 ATOM 985 OE2 GLU A 122 25.700 30.202 -19.846 1.00 0.00 ATOM 986 O GLU A 122 30.370 30.758 -15.190 1.00 0.00 ATOM 987 C GLU A 122 29.790 29.677 -15.147 1.00 0.00 ATOM 988 N LEU A 123 29.852 28.874 -14.086 1.00 0.00 ATOM 989 CA LEU A 123 30.490 29.300 -12.837 1.00 0.00 ATOM 990 CB LEU A 123 30.080 28.307 -11.743 1.00 0.00 ATOM 991 CG LEU A 123 28.606 28.367 -11.326 1.00 0.00 ATOM 992 CD1 LEU A 123 28.247 29.778 -10.873 1.00 0.00 ATOM 993 CD2 LEU A 123 27.727 27.936 -12.492 1.00 0.00 ATOM 994 O LEU A 123 32.618 29.150 -13.934 1.00 0.00 ATOM 995 C LEU A 123 32.007 29.421 -12.901 1.00 0.00 ATOM 996 N LYS A 124 32.609 29.843 -11.795 1.00 0.00 ATOM 997 CA LYS A 124 34.058 29.980 -11.715 1.00 0.00 ATOM 998 CB LYS A 124 34.437 31.156 -10.812 1.00 0.00 ATOM 999 CG LYS A 124 33.876 32.499 -11.261 1.00 0.00 ATOM 1000 CD LYS A 124 34.451 32.917 -12.606 1.00 0.00 ATOM 1001 CE LYS A 124 34.026 34.331 -12.976 1.00 0.00 ATOM 1002 NZ LYS A 124 34.547 34.738 -14.307 1.00 0.00 ATOM 1003 O LYS A 124 34.076 27.916 -10.490 1.00 0.00 ATOM 1004 C LYS A 124 34.710 28.706 -11.190 1.00 0.00 ATOM 1005 N ASP A 125 35.978 28.511 -11.532 1.00 0.00 ATOM 1006 CA ASP A 125 36.723 27.341 -11.086 1.00 0.00 ATOM 1007 CB ASP A 125 37.837 27.006 -12.080 1.00 0.00 ATOM 1008 CG ASP A 125 38.916 28.072 -12.199 1.00 0.00 ATOM 1009 OD1 ASP A 125 38.814 29.070 -11.525 1.00 0.00 ATOM 1010 OD2 ASP A 125 39.909 27.815 -12.836 1.00 0.00 ATOM 1011 O ASP A 125 37.821 26.525 -9.111 1.00 0.00 ATOM 1012 C ASP A 125 37.193 27.447 -9.634 1.00 0.00 ATOM 1013 N GLU A 126 36.872 28.602 -8.879 1.00 0.00 ATOM 1014 CA GLU A 126 37.289 28.778 -7.494 1.00 0.00 ATOM 1015 CB GLU A 126 37.394 30.283 -7.176 1.00 0.00 ATOM 1016 CG GLU A 126 38.257 30.996 -8.200 1.00 0.00 ATOM 1017 CD GLU A 126 38.305 32.499 -8.070 1.00 0.00 ATOM 1018 OE1 GLU A 126 37.355 33.139 -7.528 1.00 0.00 ATOM 1019 OE2 GLU A 126 39.322 33.049 -8.551 1.00 0.00 ATOM 1020 O GLU A 126 35.268 28.306 -6.334 1.00 0.00 ATOM 1021 C GLU A 126 36.392 27.916 -6.650 1.00 0.00 ATOM 1022 N VAL A 127 36.902 26.766 -6.214 1.00 0.00 ATOM 1023 CA VAL A 127 36.122 25.820 -5.411 1.00 0.00 ATOM 1024 CB VAL A 127 35.698 24.507 -6.096 1.00 0.00 ATOM 1025 CG1 VAL A 127 34.884 24.797 -7.347 1.00 0.00 ATOM 1026 CG2 VAL A 127 36.921 23.667 -6.442 1.00 0.00 ATOM 1027 O VAL A 127 38.185 25.154 -4.382 1.00 0.00 ATOM 1028 C VAL A 127 36.972 25.318 -4.248 1.00 0.00 ATOM 1029 N LEU A 128 36.330 25.125 -3.100 1.00 0.00 ATOM 1030 CA LEU A 128 37.022 24.626 -1.919 1.00 0.00 ATOM 1031 CB LEU A 128 36.690 25.455 -0.672 1.00 0.00 ATOM 1032 CG LEU A 128 37.511 26.740 -0.506 1.00 0.00 ATOM 1033 CD1 LEU A 128 36.945 27.839 -1.398 1.00 0.00 ATOM 1034 CD2 LEU A 128 37.495 27.169 0.955 1.00 0.00 ATOM 1035 O LEU A 128 35.528 22.741 -1.965 1.00 0.00 ATOM 1036 C LEU A 128 36.665 23.159 -1.712 1.00 0.00 ATOM 1037 N TYR A 129 37.664 22.368 -1.323 1.00 0.00 ATOM 1038 CA TYR A 129 37.478 20.943 -1.091 1.00 0.00 ATOM 1039 CB TYR A 129 38.087 20.114 -2.242 1.00 0.00 ATOM 1040 CG TYR A 129 38.289 18.672 -1.796 1.00 0.00 ATOM 1041 CD1 TYR A 129 37.160 17.899 -1.542 1.00 0.00 ATOM 1042 CD2 TYR A 129 39.541 18.143 -1.562 1.00 0.00 ATOM 1043 CE1 TYR A 129 37.296 16.599 -1.076 1.00 0.00 ATOM 1044 CE2 TYR A 129 39.689 16.836 -1.105 1.00 0.00 ATOM 1045 CZ TYR A 129 38.553 16.087 -0.873 1.00 0.00 ATOM 1046 OH TYR A 129 38.701 14.797 -0.395 1.00 0.00 ATOM 1047 O TYR A 129 39.045 21.336 0.673 1.00 0.00 ATOM 1048 C TYR A 129 38.088 20.673 0.271 1.00 0.00 ATOM 1049 N PHE A 130 37.539 19.735 1.004 1.00 0.00 ATOM 1050 CA PHE A 130 38.067 19.403 2.313 1.00 0.00 ATOM 1051 CB PHE A 130 37.492 19.825 3.458 1.00 0.00 ATOM 1052 CG PHE A 130 37.778 18.957 4.649 1.00 0.00 ATOM 1053 CD1 PHE A 130 39.023 18.975 5.267 1.00 0.00 ATOM 1054 CD2 PHE A 130 36.810 18.117 5.164 1.00 0.00 ATOM 1055 CE1 PHE A 130 39.288 18.169 6.348 1.00 0.00 ATOM 1056 CE2 PHE A 130 37.084 17.299 6.261 1.00 0.00 ATOM 1057 CZ PHE A 130 38.320 17.327 6.840 1.00 0.00 ATOM 1058 O PHE A 130 38.567 17.077 2.001 1.00 0.00 ATOM 1059 C PHE A 130 39.006 18.220 2.120 1.00 0.00 ATOM 1060 N GLY A 131 40.307 18.494 2.133 1.00 0.00 ATOM 1061 CA GLY A 131 41.300 17.510 1.721 1.00 0.00 ATOM 1062 O GLY A 131 43.195 18.975 1.571 1.00 0.00 ATOM 1063 C GLY A 131 42.445 18.195 0.983 1.00 0.00 ATOM 1064 N LYS A 132 42.627 17.979 -0.422 1.00 0.00 ATOM 1065 CA LYS A 132 43.647 18.684 -1.191 1.00 0.00 ATOM 1066 CB LYS A 132 44.956 17.892 -1.196 1.00 0.00 ATOM 1067 CG LYS A 132 45.625 17.774 0.166 1.00 0.00 ATOM 1068 CD LYS A 132 46.957 17.045 0.068 1.00 0.00 ATOM 1069 CE LYS A 132 47.644 16.958 1.422 1.00 0.00 ATOM 1070 NZ LYS A 132 48.950 16.252 1.340 1.00 0.00 ATOM 1071 O LYS A 132 44.068 18.794 -3.557 1.00 0.00 ATOM 1072 C LYS A 132 43.334 19.109 -2.623 1.00 0.00 ATOM 1073 N LEU A 133 42.346 19.885 -2.815 1.00 0.00 ATOM 1074 CA LEU A 133 41.929 20.386 -4.120 1.00 0.00 ATOM 1075 CB LEU A 133 40.780 19.516 -4.694 1.00 0.00 ATOM 1076 CG LEU A 133 41.035 18.022 -4.910 1.00 0.00 ATOM 1077 CD1 LEU A 133 39.747 17.354 -5.377 1.00 0.00 ATOM 1078 CD2 LEU A 133 42.129 17.818 -5.933 1.00 0.00 ATOM 1079 O LEU A 133 41.171 22.349 -2.968 1.00 0.00 ATOM 1080 C LEU A 133 41.536 21.849 -4.035 1.00 0.00 ATOM 1081 N GLY A 134 41.539 22.827 -5.488 1.00 0.00 ATOM 1082 CA GLY A 134 41.020 24.175 -5.638 1.00 0.00 ATOM 1083 O GLY A 134 42.810 25.213 -4.374 1.00 0.00 ATOM 1084 C GLY A 134 41.644 24.790 -4.387 1.00 0.00 ATOM 1085 N ILE A 135 40.880 24.826 -3.306 1.00 0.00 ATOM 1086 CA ILE A 135 41.376 25.391 -2.044 1.00 0.00 ATOM 1087 CB ILE A 135 40.619 26.668 -1.643 1.00 0.00 ATOM 1088 CG1 ILE A 135 40.842 27.759 -2.686 1.00 0.00 ATOM 1089 CG2 ILE A 135 41.064 27.157 -0.270 1.00 0.00 ATOM 1090 CD1 ILE A 135 39.819 28.867 -2.621 1.00 0.00 ATOM 1091 O ILE A 135 40.083 23.763 -0.832 1.00 0.00 ATOM 1092 C ILE A 135 41.175 24.328 -0.958 1.00 0.00 ATOM 1093 N PHE A 136 42.200 24.102 -0.142 1.00 0.00 ATOM 1094 CA PHE A 136 42.108 23.136 0.948 1.00 0.00 ATOM 1095 CB PHE A 136 43.457 22.851 1.509 1.00 0.00 ATOM 1096 CG PHE A 136 43.439 21.920 2.729 1.00 0.00 ATOM 1097 CD1 PHE A 136 42.388 20.984 2.952 1.00 0.00 ATOM 1098 CD2 PHE A 136 44.493 21.937 3.627 1.00 0.00 ATOM 1099 CE1 PHE A 136 42.412 20.111 4.040 1.00 0.00 ATOM 1100 CE2 PHE A 136 44.528 21.057 4.750 1.00 0.00 ATOM 1101 CZ PHE A 136 43.482 20.142 4.947 1.00 0.00 ATOM 1102 O PHE A 136 41.776 24.910 2.546 1.00 0.00 ATOM 1103 C PHE A 136 41.419 23.796 2.148 1.00 0.00 ATOM 1104 N TRP A 137 40.448 23.098 2.726 1.00 0.00 ATOM 1105 CA TRP A 137 39.708 23.601 3.872 1.00 0.00 ATOM 1106 CB TRP A 137 38.234 23.234 3.755 1.00 0.00 ATOM 1107 CG TRP A 137 37.410 23.601 4.956 1.00 0.00 ATOM 1108 CD1 TRP A 137 37.806 24.306 6.059 1.00 0.00 ATOM 1109 CD2 TRP A 137 36.042 23.252 5.171 1.00 0.00 ATOM 1110 CE2 TRP A 137 35.667 23.770 6.430 1.00 0.00 ATOM 1111 CE3 TRP A 137 35.097 22.537 4.417 1.00 0.00 ATOM 1112 NE1 TRP A 137 36.761 24.416 6.954 1.00 0.00 ATOM 1113 CZ2 TRP A 137 34.381 23.599 6.956 1.00 0.00 ATOM 1114 CZ3 TRP A 137 33.820 22.361 4.935 1.00 0.00 ATOM 1115 CH2 TRP A 137 33.471 22.890 6.195 1.00 0.00 ATOM 1116 O TRP A 137 40.212 21.682 5.217 1.00 0.00 ATOM 1117 C TRP A 137 40.115 22.910 5.171 1.00 0.00 ATOM 1118 N GLY A 138 40.412 23.689 6.205 1.00 0.00 ATOM 1119 CA GLY A 138 40.758 23.122 7.505 1.00 0.00 ATOM 1120 O GLY A 138 39.785 25.108 8.435 1.00 0.00 ATOM 1121 C GLY A 138 40.050 23.911 8.595 1.00 0.00 ATOM 1122 N LYS A 139 39.721 23.236 9.692 1.00 0.00 ATOM 1123 CA LYS A 139 39.077 23.889 10.828 1.00 0.00 ATOM 1124 CB LYS A 139 37.871 23.073 11.300 1.00 0.00 ATOM 1125 CG LYS A 139 36.748 22.961 10.278 1.00 0.00 ATOM 1126 CD LYS A 139 35.644 22.039 10.767 1.00 0.00 ATOM 1127 CE LYS A 139 36.052 20.577 10.660 1.00 0.00 ATOM 1128 NZ LYS A 139 34.969 19.661 11.109 1.00 0.00 ATOM 1129 O LYS A 139 40.984 23.276 12.151 1.00 0.00 ATOM 1130 C LYS A 139 40.116 24.117 11.918 1.00 0.00 ATOM 1131 N PHE A 140 40.021 25.262 12.586 1.00 0.00 ATOM 1132 CA PHE A 140 40.963 25.614 13.643 1.00 0.00 ATOM 1133 CB PHE A 140 40.570 26.950 14.276 1.00 0.00 ATOM 1134 CG PHE A 140 41.458 27.361 15.418 1.00 0.00 ATOM 1135 CD1 PHE A 140 42.680 27.970 15.181 1.00 0.00 ATOM 1136 CD2 PHE A 140 41.069 27.138 16.730 1.00 0.00 ATOM 1137 CE1 PHE A 140 43.496 28.350 16.230 1.00 0.00 ATOM 1138 CE2 PHE A 140 41.882 27.518 17.781 1.00 0.00 ATOM 1139 CZ PHE A 140 43.096 28.124 17.530 1.00 0.00 ATOM 1140 O PHE A 140 39.916 23.984 15.057 1.00 0.00 ATOM 1141 C PHE A 140 40.965 24.526 14.710 1.00 0.00 ATOM 1142 N SER A 141 42.144 24.237 15.250 1.00 0.00 ATOM 1143 CA SER A 141 42.269 23.288 16.349 1.00 0.00 ATOM 1144 CB SER A 141 42.116 21.873 15.821 1.00 0.00 ATOM 1145 OG SER A 141 42.228 20.918 16.840 1.00 0.00 ATOM 1146 O SER A 141 43.695 24.136 18.083 1.00 0.00 ATOM 1147 C SER A 141 43.602 23.438 17.073 1.00 0.00 ATOM 1148 N GLU A 142 44.640 22.814 16.526 1.00 0.00 ATOM 1149 CA GLU A 142 45.967 22.862 17.130 1.00 0.00 ATOM 1150 CB GLU A 142 46.779 21.625 16.744 1.00 0.00 ATOM 1151 CG GLU A 142 46.263 20.323 17.338 1.00 0.00 ATOM 1152 CD GLU A 142 46.326 20.346 18.840 1.00 0.00 ATOM 1153 OE1 GLU A 142 47.374 20.625 19.369 1.00 0.00 ATOM 1154 OE2 GLU A 142 45.296 20.198 19.458 1.00 0.00 ATOM 1155 O GLU A 142 47.019 24.301 15.554 1.00 0.00 ATOM 1156 C GLU A 142 46.810 24.051 16.731 1.00 0.00 ATOM 1157 N GLU A 143 47.343 24.798 17.694 1.00 0.00 ATOM 1158 CA GLU A 143 48.172 25.946 17.406 1.00 0.00 ATOM 1159 CB GLU A 143 47.420 26.979 18.708 1.00 0.00 ATOM 1160 CG GLU A 143 46.013 26.620 19.171 1.00 0.00 ATOM 1161 CD GLU A 143 45.581 27.397 20.397 1.00 0.00 ATOM 1162 OE1 GLU A 143 45.806 26.905 21.525 1.00 0.00 ATOM 1163 OE2 GLU A 143 45.018 28.503 20.225 1.00 0.00 ATOM 1164 O GLU A 143 50.496 26.541 17.343 1.00 0.00 ATOM 1165 C GLU A 143 49.663 25.679 17.627 1.00 0.00 ATOM 1166 N SER A 144 50.005 24.495 18.137 1.00 0.00 ATOM 1167 CA SER A 144 51.402 24.171 18.405 1.00 0.00 ATOM 1168 CB SER A 144 51.435 23.343 19.675 1.00 0.00 ATOM 1169 OG SER A 144 50.868 22.074 19.491 1.00 0.00 ATOM 1170 O SER A 144 53.352 23.126 17.473 1.00 0.00 ATOM 1171 C SER A 144 52.183 23.472 17.297 1.00 0.00 ATOM 1172 N TYR A 145 51.546 23.169 16.073 1.00 0.00 ATOM 1173 CA TYR A 145 52.317 22.503 15.029 1.00 0.00 ATOM 1174 CB TYR A 145 52.538 21.030 15.384 1.00 0.00 ATOM 1175 CG TYR A 145 51.260 20.233 15.510 1.00 0.00 ATOM 1176 CD1 TYR A 145 50.708 19.591 14.411 1.00 0.00 ATOM 1177 CD2 TYR A 145 50.611 20.121 16.730 1.00 0.00 ATOM 1178 CE1 TYR A 145 49.540 18.862 14.520 1.00 0.00 ATOM 1179 CE2 TYR A 145 49.443 19.392 16.853 1.00 0.00 ATOM 1180 CZ TYR A 145 48.910 18.765 15.746 1.00 0.00 ATOM 1181 OH TYR A 145 47.748 18.036 15.862 1.00 0.00 ATOM 1182 O TYR A 145 52.078 22.022 12.697 1.00 0.00 ATOM 1183 C TYR A 145 51.527 22.400 13.731 1.00 0.00 ATOM 1184 N SER A 146 50.220 22.687 13.772 1.00 0.00 ATOM 1185 CA SER A 146 49.381 22.580 12.586 1.00 0.00 ATOM 1186 CB SER A 146 47.900 22.817 12.996 1.00 0.00 ATOM 1187 OG SER A 146 47.036 22.700 11.875 1.00 0.00 ATOM 1188 O SER A 146 49.561 23.241 10.286 1.00 0.00 ATOM 1189 C SER A 146 49.645 23.586 11.472 1.00 0.00 ATOM 1190 N LYS A 147 50.016 24.808 11.846 1.00 0.00 ATOM 1191 CA LYS A 147 50.313 25.837 10.857 1.00 0.00 ATOM 1192 CB LYS A 147 50.912 27.072 11.904 1.00 0.00 ATOM 1193 CG LYS A 147 50.352 27.144 13.317 1.00 0.00 ATOM 1194 CD LYS A 147 48.908 27.611 13.256 1.00 0.00 ATOM 1195 CE LYS A 147 48.226 27.669 14.615 1.00 0.00 ATOM 1196 NZ LYS A 147 46.830 28.241 14.481 1.00 0.00 ATOM 1197 O LYS A 147 51.629 25.649 8.852 1.00 0.00 ATOM 1198 C LYS A 147 51.564 25.450 10.066 1.00 0.00 ATOM 1199 N THR A 148 52.556 24.899 10.760 1.00 0.00 ATOM 1200 CA THR A 148 53.788 24.472 10.113 1.00 0.00 ATOM 1201 CB THR A 148 54.848 24.028 11.140 1.00 0.00 ATOM 1202 CG2 THR A 148 56.110 23.556 10.434 1.00 0.00 ATOM 1203 OG1 THR A 148 55.169 25.127 12.004 1.00 0.00 ATOM 1204 O THR A 148 53.989 23.356 7.994 1.00 0.00 ATOM 1205 C THR A 148 53.466 23.368 9.110 1.00 0.00 ATOM 1206 N ALA A 149 52.593 22.430 9.517 1.00 0.00 ATOM 1207 CA ALA A 149 52.201 21.335 8.639 1.00 0.00 ATOM 1208 CB ALA A 149 51.259 20.388 9.370 1.00 0.00 ATOM 1209 O ALA A 149 51.870 21.463 6.258 1.00 0.00 ATOM 1210 C ALA A 149 51.563 21.897 7.372 1.00 0.00 ATOM 1211 N TYR A 150 50.666 22.863 7.542 1.00 0.00 ATOM 1212 CA TYR A 150 49.964 23.467 6.418 1.00 0.00 ATOM 1213 CB TYR A 150 48.856 24.395 6.916 1.00 0.00 ATOM 1214 CG TYR A 150 47.706 23.676 7.587 1.00 0.00 ATOM 1215 CD1 TYR A 150 47.541 22.305 7.440 1.00 0.00 ATOM 1216 CD2 TYR A 150 46.792 24.367 8.368 1.00 0.00 ATOM 1217 CE1 TYR A 150 46.494 21.643 8.048 1.00 0.00 ATOM 1218 CE2 TYR A 150 45.742 23.715 8.981 1.00 0.00 ATOM 1219 CZ TYR A 150 45.595 22.353 8.821 1.00 0.00 ATOM 1220 OH TYR A 150 44.551 21.699 9.433 1.00 0.00 ATOM 1221 O TYR A 150 50.844 24.133 4.278 1.00 0.00 ATOM 1222 C TYR A 150 50.925 24.235 5.511 1.00 0.00 ATOM 1223 N HIS A 151 51.842 24.986 6.116 1.00 0.00 ATOM 1224 CA HIS A 151 52.817 25.753 5.349 1.00 0.00 ATOM 1225 CB HIS A 151 53.689 26.601 6.279 1.00 0.00 ATOM 1226 CG HIS A 151 54.751 27.379 5.566 1.00 0.00 ATOM 1227 CD2 HIS A 151 56.090 27.196 5.486 1.00 0.00 ATOM 1228 ND1 HIS A 151 54.473 28.502 4.814 1.00 0.00 ATOM 1229 CE1 HIS A 151 55.595 28.975 4.303 1.00 0.00 ATOM 1230 NE2 HIS A 151 56.591 28.202 4.696 1.00 0.00 ATOM 1231 O HIS A 151 53.918 25.036 3.341 1.00 0.00 ATOM 1232 C HIS A 151 53.720 24.817 4.544 1.00 0.00 ATOM 1233 N LYS A 152 54.214 23.762 5.145 1.00 0.00 ATOM 1234 CA LYS A 152 55.153 22.860 4.433 1.00 0.00 ATOM 1235 CB LYS A 152 55.794 21.898 5.432 1.00 0.00 ATOM 1236 CG LYS A 152 56.812 22.544 6.361 1.00 0.00 ATOM 1237 CD LYS A 152 57.407 21.528 7.325 1.00 0.00 ATOM 1238 CE LYS A 152 58.404 22.179 8.272 1.00 0.00 ATOM 1239 NZ LYS A 152 58.972 21.200 9.240 1.00 0.00 ATOM 1240 O LYS A 152 55.045 21.892 2.248 1.00 0.00 ATOM 1241 C LYS A 152 54.490 22.048 3.336 1.00 0.00 ATOM 1242 N TYR A 153 53.278 21.580 3.602 1.00 0.00 ATOM 1243 CA TYR A 153 52.562 20.760 2.645 1.00 0.00 ATOM 1244 CB TYR A 153 51.529 19.884 3.359 1.00 0.00 ATOM 1245 CG TYR A 153 52.136 18.840 4.270 1.00 0.00 ATOM 1246 CD1 TYR A 153 53.472 18.484 4.154 1.00 0.00 ATOM 1247 CD2 TYR A 153 51.372 18.214 5.243 1.00 0.00 ATOM 1248 CE1 TYR A 153 54.032 17.531 4.984 1.00 0.00 ATOM 1249 CE2 TYR A 153 51.921 17.259 6.078 1.00 0.00 ATOM 1250 CZ TYR A 153 53.251 16.921 5.944 1.00 0.00 ATOM 1251 OH TYR A 153 53.805 15.972 6.773 1.00 0.00 ATOM 1252 O TYR A 153 51.715 21.028 0.421 1.00 0.00 ATOM 1253 C TYR A 153 51.843 21.526 1.541 1.00 0.00 ATOM 1254 N LEU A 154 51.337 22.716 1.828 1.00 0.00 ATOM 1255 CA LEU A 154 50.562 23.453 0.841 1.00 0.00 ATOM 1256 CB LEU A 154 49.085 23.497 1.252 1.00 0.00 ATOM 1257 CG LEU A 154 48.388 22.133 1.336 1.00 0.00 ATOM 1258 CD1 LEU A 154 46.975 22.300 1.877 1.00 0.00 ATOM 1259 CD2 LEU A 154 48.365 21.488 -0.044 1.00 0.00 ATOM 1260 O LEU A 154 51.075 25.199 -0.705 1.00 0.00 ATOM 1261 C LEU A 154 50.870 24.894 0.476 1.00 0.00 ATOM 1262 N LEU A 155 50.813 25.801 1.449 1.00 0.00 ATOM 1263 CA LEU A 155 51.002 27.217 1.142 1.00 0.00 ATOM 1264 CB LEU A 155 50.692 28.082 2.370 1.00 0.00 ATOM 1265 CG LEU A 155 50.839 29.593 2.158 1.00 0.00 ATOM 1266 CD1 LEU A 155 49.876 30.064 1.076 1.00 0.00 ATOM 1267 CD2 LEU A 155 50.574 30.321 3.469 1.00 0.00 ATOM 1268 O LEU A 155 52.529 28.481 -0.197 1.00 0.00 ATOM 1269 C LEU A 155 52.399 27.607 0.661 1.00 0.00 ATOM 1270 N LYS A 156 53.437 26.947 1.175 1.00 0.00 ATOM 1271 CA LYS A 156 54.803 27.250 0.734 1.00 0.00 ATOM 1272 CB LYS A 156 55.821 26.487 1.581 1.00 0.00 ATOM 1273 CG LYS A 156 57.273 26.803 1.255 1.00 0.00 ATOM 1274 CD LYS A 156 58.224 26.088 2.206 1.00 0.00 ATOM 1275 CE LYS A 156 59.675 26.401 1.879 1.00 0.00 ATOM 1276 NZ LYS A 156 60.618 25.703 2.796 1.00 0.00 ATOM 1277 O LYS A 156 55.877 27.272 -1.419 1.00 0.00 ATOM 1278 C LYS A 156 54.929 26.856 -0.742 1.00 0.00 ATOM 1279 N VAL A 157 54.009 25.954 -1.197 1.00 0.00 ATOM 1280 CA VAL A 157 54.095 25.522 -2.589 1.00 0.00 ATOM 1281 CB VAL A 157 54.259 23.759 -2.244 1.00 0.00 ATOM 1282 CG1 VAL A 157 54.834 23.462 -0.869 1.00 0.00 ATOM 1283 CG2 VAL A 157 52.780 23.380 -2.298 1.00 0.00 ATOM 1284 O VAL A 157 52.792 25.826 -4.575 1.00 0.00 ATOM 1285 C VAL A 157 53.045 26.228 -3.432 1.00 0.00 ATOM 1286 N PRO A 158 52.339 27.308 -2.796 1.00 0.00 ATOM 1287 CA PRO A 158 51.345 28.039 -3.568 1.00 0.00 ATOM 1288 CB PRO A 158 52.297 29.069 -4.313 1.00 0.00 ATOM 1289 CG PRO A 158 53.545 28.273 -4.494 1.00 0.00 ATOM 1290 CD PRO A 158 53.698 27.603 -3.156 1.00 0.00 ATOM 1291 O PRO A 158 49.234 27.808 -4.667 1.00 0.00 ATOM 1292 C PRO A 158 49.955 27.441 -3.729 1.00 0.00 ATOM 1293 N PHE A 159 49.589 26.494 -2.867 1.00 0.00 ATOM 1294 CA PHE A 159 48.256 25.881 -2.905 1.00 0.00 ATOM 1295 CB PHE A 159 48.356 24.361 -2.762 1.00 0.00 ATOM 1296 CG PHE A 159 47.030 23.659 -2.832 1.00 0.00 ATOM 1297 CD1 PHE A 159 46.385 23.484 -4.048 1.00 0.00 ATOM 1298 CD2 PHE A 159 46.424 23.174 -1.683 1.00 0.00 ATOM 1299 CE1 PHE A 159 45.164 22.837 -4.113 1.00 0.00 ATOM 1300 CE2 PHE A 159 45.206 22.527 -1.746 1.00 0.00 ATOM 1301 CZ PHE A 159 44.575 22.357 -2.963 1.00 0.00 ATOM 1302 O PHE A 159 48.047 26.745 -0.678 1.00 0.00 ATOM 1303 C PHE A 159 47.518 26.614 -1.781 1.00 0.00 ATOM 1304 N TYR A 160 46.341 27.138 -2.042 1.00 0.00 ATOM 1305 CA TYR A 160 45.560 27.873 -1.045 1.00 0.00 ATOM 1306 CB TYR A 160 44.458 28.718 -1.690 1.00 0.00 ATOM 1307 CG TYR A 160 44.971 29.942 -2.416 1.00 0.00 ATOM 1308 CD1 TYR A 160 45.064 29.964 -3.800 1.00 0.00 ATOM 1309 CD2 TYR A 160 45.358 31.075 -1.715 1.00 0.00 ATOM 1310 CE1 TYR A 160 45.531 31.079 -4.467 1.00 0.00 ATOM 1311 CE2 TYR A 160 45.826 32.196 -2.370 1.00 0.00 ATOM 1312 CZ TYR A 160 45.912 32.196 -3.747 1.00 0.00 ATOM 1313 OH TYR A 160 46.377 33.309 -4.407 1.00 0.00 ATOM 1314 O TYR A 160 44.387 25.902 -0.293 1.00 0.00 ATOM 1315 C TYR A 160 44.888 26.996 0.010 1.00 0.00 ATOM 1316 N ARG A 161 44.876 27.506 1.243 1.00 0.00 ATOM 1317 CA ARG A 161 44.254 26.843 2.389 1.00 0.00 ATOM 1318 CB ARG A 161 45.267 26.084 3.232 1.00 0.00 ATOM 1319 CG ARG A 161 46.307 26.954 3.921 1.00 0.00 ATOM 1320 CD ARG A 161 47.262 26.204 4.776 1.00 0.00 ATOM 1321 NE ARG A 161 48.368 27.001 5.286 1.00 0.00 ATOM 1322 CZ ARG A 161 48.328 27.729 6.417 1.00 0.00 ATOM 1323 NH1 ARG A 161 47.231 27.797 7.140 1.00 0.00 ATOM 1324 NH2 ARG A 161 49.414 28.395 6.772 1.00 0.00 ATOM 1325 O ARG A 161 43.921 29.039 3.354 1.00 0.00 ATOM 1326 C ARG A 161 43.470 27.896 3.190 1.00 0.00 ATOM 1327 N HIS A 162 42.284 27.516 3.649 1.00 0.00 ATOM 1328 CA HIS A 162 41.445 28.409 4.434 1.00 0.00 ATOM 1329 CB HIS A 162 40.208 28.832 3.636 1.00 0.00 ATOM 1330 CG HIS A 162 39.293 29.752 4.385 1.00 0.00 ATOM 1331 CD2 HIS A 162 37.982 29.639 4.703 1.00 0.00 ATOM 1332 ND1 HIS A 162 39.713 30.957 4.907 1.00 0.00 ATOM 1333 CE1 HIS A 162 38.698 31.547 5.510 1.00 0.00 ATOM 1334 NE2 HIS A 162 37.637 30.771 5.401 1.00 0.00 ATOM 1335 O HIS A 162 40.591 26.526 5.683 1.00 0.00 ATOM 1336 C HIS A 162 41.046 27.673 5.712 1.00 0.00 ATOM 1337 N ILE A 163 41.352 28.301 6.871 1.00 0.00 ATOM 1338 CA ILE A 163 40.842 27.873 8.158 1.00 0.00 ATOM 1339 CB ILE A 163 41.800 28.255 9.335 1.00 0.00 ATOM 1340 CG1 ILE A 163 43.283 28.037 9.010 1.00 0.00 ATOM 1341 CG2 ILE A 163 41.385 27.514 10.609 1.00 0.00 ATOM 1342 CD1 ILE A 163 43.727 26.615 8.790 1.00 0.00 ATOM 1343 O ILE A 163 39.230 29.649 8.313 1.00 0.00 ATOM 1344 C ILE A 163 39.428 28.446 8.143 1.00 0.00 ATOM 1345 N THR A 164 38.452 27.579 7.841 1.00 0.00 ATOM 1346 CA THR A 164 37.055 27.993 7.768 1.00 0.00 ATOM 1347 CB THR A 164 36.196 26.967 7.006 1.00 0.00 ATOM 1348 CG2 THR A 164 34.735 27.388 7.004 1.00 0.00 ATOM 1349 OG1 THR A 164 36.661 26.862 5.655 1.00 0.00 ATOM 1350 O THR A 164 35.630 29.222 9.256 1.00 0.00 ATOM 1351 C THR A 164 36.467 28.326 9.130 1.00 0.00 ATOM 1352 N ILE A 165 36.910 27.608 10.152 1.00 0.00 ATOM 1353 CA ILE A 165 36.396 27.828 11.492 1.00 0.00 ATOM 1354 CB ILE A 165 35.522 26.651 11.933 1.00 0.00 ATOM 1355 CG1 ILE A 165 34.371 26.460 10.940 1.00 0.00 ATOM 1356 CG2 ILE A 165 35.009 26.891 13.345 1.00 0.00 ATOM 1357 CD1 ILE A 165 33.545 25.213 11.173 1.00 0.00 ATOM 1358 O ILE A 165 38.453 27.142 12.494 1.00 0.00 ATOM 1359 C ILE A 165 37.526 27.967 12.528 1.00 0.00 ATOM 1360 N ARG A 166 37.393 28.931 13.405 1.00 0.00 ATOM 1361 CA ARG A 166 38.347 29.058 14.506 1.00 0.00 ATOM 1362 CB ARG A 166 39.523 29.949 14.130 1.00 0.00 ATOM 1363 CG ARG A 166 39.174 31.417 13.935 1.00 0.00 ATOM 1364 CD ARG A 166 40.150 32.173 13.110 1.00 0.00 ATOM 1365 NE ARG A 166 40.198 31.768 11.713 1.00 0.00 ATOM 1366 CZ ARG A 166 41.029 32.293 10.793 1.00 0.00 ATOM 1367 NH1 ARG A 166 41.855 33.267 11.103 1.00 0.00 ATOM 1368 NH2 ARG A 166 40.977 31.820 9.560 1.00 0.00 ATOM 1369 O ARG A 166 36.654 30.282 15.686 1.00 0.00 ATOM 1370 C ARG A 166 37.669 29.587 15.763 1.00 0.00 ATOM 1371 N ASN A 167 38.233 29.258 16.919 1.00 0.00 ATOM 1372 CA ASN A 167 37.715 29.745 18.192 1.00 0.00 ATOM 1373 CB ASN A 167 38.449 29.121 19.365 1.00 0.00 ATOM 1374 CG ASN A 167 38.183 27.652 19.531 1.00 0.00 ATOM 1375 ND2 ASN A 167 39.042 27.004 20.275 1.00 0.00 ATOM 1376 OD1 ASN A 167 37.171 27.124 19.054 1.00 0.00 ATOM 1377 O ASN A 167 38.797 31.878 17.994 1.00 0.00 ATOM 1378 C ASN A 167 37.771 31.265 18.285 1.00 0.00 ATOM 1379 N ALA A 168 36.660 31.868 18.693 1.00 0.00 ATOM 1380 CA ALA A 168 36.557 33.322 18.764 1.00 0.00 ATOM 1381 CB ALA A 168 35.129 33.755 18.666 1.00 0.00 ATOM 1382 O ALA A 168 36.930 35.021 20.416 1.00 0.00 ATOM 1383 C ALA A 168 37.150 33.864 20.057 1.00 0.00 ATOM 1384 N LYS A 169 37.937 33.036 20.734 1.00 0.00 ATOM 1385 CA LYS A 169 38.466 33.383 22.048 1.00 0.00 ATOM 1386 CB LYS A 169 38.040 32.318 23.060 1.00 0.00 ATOM 1387 CG LYS A 169 36.535 32.200 23.253 1.00 0.00 ATOM 1388 CD LYS A 169 36.188 31.104 24.250 1.00 0.00 ATOM 1389 CE LYS A 169 34.684 30.972 24.429 1.00 0.00 ATOM 1390 NZ LYS A 169 34.329 29.879 25.373 1.00 0.00 ATOM 1391 O LYS A 169 40.415 34.758 22.291 1.00 0.00 ATOM 1392 C LYS A 169 39.941 33.718 21.843 1.00 0.00 ATOM 1393 N THR A 170 40.643 32.780 21.162 1.00 0.00 ATOM 1394 CA THR A 170 42.080 32.948 20.945 1.00 0.00 ATOM 1395 CB THR A 170 42.814 31.618 20.980 1.00 0.00 ATOM 1396 CG2 THR A 170 44.312 31.878 20.969 1.00 0.00 ATOM 1397 OG1 THR A 170 42.463 30.924 22.184 1.00 0.00 ATOM 1398 O THR A 170 41.775 33.106 18.571 1.00 0.00 ATOM 1399 C THR A 170 42.267 33.605 19.577 1.00 0.00 ATOM 1400 N PHE A 171 42.975 34.687 19.561 1.00 0.00 ATOM 1401 CA PHE A 171 43.121 35.430 18.315 1.00 0.00 ATOM 1402 CB PHE A 171 41.890 36.338 18.320 1.00 0.00 ATOM 1403 CG PHE A 171 42.161 37.722 18.841 1.00 0.00 ATOM 1404 CD1 PHE A 171 42.548 38.740 17.980 1.00 0.00 ATOM 1405 CD2 PHE A 171 42.033 38.009 20.191 1.00 0.00 ATOM 1406 CE1 PHE A 171 42.797 40.012 18.456 1.00 0.00 ATOM 1407 CE2 PHE A 171 42.280 39.280 20.669 1.00 0.00 ATOM 1408 CZ PHE A 171 42.662 40.282 19.802 1.00 0.00 ATOM 1409 O PHE A 171 45.147 36.127 19.402 1.00 0.00 ATOM 1410 C PHE A 171 44.398 36.224 18.438 1.00 0.00 ATOM 1411 N ASP A 172 44.606 37.014 17.309 1.00 0.00 ATOM 1412 CA ASP A 172 45.849 37.779 17.244 1.00 0.00 ATOM 1413 CB ASP A 172 46.416 38.917 18.098 1.00 0.00 ATOM 1414 CG ASP A 172 47.401 39.821 17.368 1.00 0.00 ATOM 1415 OD1 ASP A 172 47.011 40.435 16.402 1.00 0.00 ATOM 1416 OD2 ASP A 172 48.484 40.011 17.867 1.00 0.00 ATOM 1417 O ASP A 172 47.250 36.710 15.616 1.00 0.00 ATOM 1418 C ASP A 172 46.914 36.783 16.801 1.00 0.00 ATOM 1419 N LYS A 173 47.470 36.037 17.736 1.00 0.00 ATOM 1420 CA LYS A 173 48.500 35.069 17.386 1.00 0.00 ATOM 1421 CB LYS A 173 49.116 34.453 18.626 1.00 0.00 ATOM 1422 CG LYS A 173 49.957 35.452 19.409 1.00 0.00 ATOM 1423 CD LYS A 173 50.586 34.818 20.637 1.00 0.00 ATOM 1424 CE LYS A 173 51.531 35.798 21.320 1.00 0.00 ATOM 1425 NZ LYS A 173 52.129 35.213 22.550 1.00 0.00 ATOM 1426 O LYS A 173 48.514 33.535 15.531 1.00 0.00 ATOM 1427 C LYS A 173 47.904 33.971 16.506 1.00 0.00 ATOM 1428 N ILE A 174 46.710 33.524 16.860 1.00 0.00 ATOM 1429 CA ILE A 174 46.051 32.465 16.105 1.00 0.00 ATOM 1430 CB ILE A 174 44.679 32.172 16.508 1.00 0.00 ATOM 1431 CG1 ILE A 174 44.777 31.532 17.889 1.00 0.00 ATOM 1432 CG2 ILE A 174 44.014 31.203 15.539 1.00 0.00 ATOM 1433 CD1 ILE A 174 45.891 30.499 17.988 1.00 0.00 ATOM 1434 O ILE A 174 46.166 32.167 13.723 1.00 0.00 ATOM 1435 C ILE A 174 45.803 32.889 14.660 1.00 0.00 ATOM 1436 N GLY A 175 45.198 34.091 14.474 1.00 0.00 ATOM 1437 CA GLY A 175 44.930 34.591 13.140 1.00 0.00 ATOM 1438 O GLY A 175 46.226 34.460 11.130 1.00 0.00 ATOM 1439 C GLY A 175 46.190 34.779 12.323 1.00 0.00 ATOM 1440 N GLN A 176 47.285 35.271 12.951 1.00 0.00 ATOM 1441 CA GLN A 176 48.538 35.494 12.233 1.00 0.00 ATOM 1442 CB GLN A 176 49.535 36.216 13.144 1.00 0.00 ATOM 1443 CG GLN A 176 50.853 36.562 12.475 1.00 0.00 ATOM 1444 CD GLN A 176 50.683 37.549 11.335 1.00 0.00 ATOM 1445 OE1 GLN A 176 49.981 38.556 11.466 1.00 0.00 ATOM 1446 NE2 GLN A 176 51.322 37.265 10.205 1.00 0.00 ATOM 1447 O GLN A 176 49.537 34.039 10.602 1.00 0.00 ATOM 1448 C GLN A 176 49.130 34.162 11.759 1.00 0.00 ATOM 1449 N MET A 177 49.142 33.159 12.623 1.00 0.00 ATOM 1450 CA MET A 177 49.678 31.839 12.294 1.00 0.00 ATOM 1451 CB MET A 177 49.707 30.975 13.535 1.00 0.00 ATOM 1452 CG MET A 177 50.775 31.306 14.530 1.00 0.00 ATOM 1453 SD MET A 177 52.475 31.093 13.914 1.00 0.00 ATOM 1454 CE MET A 177 52.526 29.306 13.712 1.00 0.00 ATOM 1455 O MET A 177 49.402 30.639 10.237 1.00 0.00 ATOM 1456 C MET A 177 48.853 31.197 11.184 1.00 0.00 ATOM 1457 N LEU A 178 47.520 31.278 11.284 1.00 0.00 ATOM 1458 CA LEU A 178 46.669 30.691 10.260 1.00 0.00 ATOM 1459 CB LEU A 178 45.195 30.882 10.642 1.00 0.00 ATOM 1460 CG LEU A 178 44.714 30.121 11.885 1.00 0.00 ATOM 1461 CD1 LEU A 178 43.266 30.495 12.176 1.00 0.00 ATOM 1462 CD2 LEU A 178 44.838 28.622 11.667 1.00 0.00 ATOM 1463 O LEU A 178 46.960 30.630 7.869 1.00 0.00 ATOM 1464 C LEU A 178 46.933 31.323 8.890 1.00 0.00 ATOM 1465 N LYS A 179 47.135 32.637 8.866 1.00 0.00 ATOM 1466 CA LYS A 179 47.402 33.331 7.609 1.00 0.00 ATOM 1467 CB LYS A 179 47.476 34.848 7.822 1.00 0.00 ATOM 1468 CG LYS A 179 46.163 35.495 8.204 1.00 0.00 ATOM 1469 CD LYS A 179 46.317 37.004 8.364 1.00 0.00 ATOM 1470 CE LYS A 179 45.059 37.621 8.961 1.00 0.00 ATOM 1471 NZ LYS A 179 45.168 39.089 9.163 1.00 0.00 ATOM 1472 O LYS A 179 48.809 32.566 5.827 1.00 0.00 ATOM 1473 C LYS A 179 48.720 32.858 7.021 1.00 0.00 ATOM 1474 N LYS A 180 49.738 32.790 7.863 1.00 0.00 ATOM 1475 CA LYS A 180 51.072 32.371 7.419 1.00 0.00 ATOM 1476 CB LYS A 180 52.087 32.523 8.555 1.00 0.00 ATOM 1477 CG LYS A 180 53.517 32.174 8.168 1.00 0.00 ATOM 1478 CD LYS A 180 54.480 32.433 9.320 1.00 0.00 ATOM 1479 CE LYS A 180 55.907 32.072 8.938 1.00 0.00 ATOM 1480 NZ LYS A 180 56.862 32.331 10.051 1.00 0.00 ATOM 1481 O LYS A 180 51.939 30.518 6.168 1.00 0.00 ATOM 1482 C LYS A 180 51.059 30.926 6.922 1.00 0.00 ENDMDL EXPDTA 2hiyA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hiyA ATOM 1 N MET A 1 10.421 22.904 2.342 1.00 0.00 ATOM 2 CA MET A 1 11.089 23.834 3.256 1.00 0.00 ATOM 3 CB MET A 1 10.202 24.200 4.446 1.00 0.00 ATOM 4 CG MET A 1 9.084 25.166 4.094 1.00 0.00 ATOM 5 SD MET A 1 9.657 27.034 4.205 1.00 0.00 ATOM 6 CE MET A 1 9.097 27.422 6.043 1.00 0.00 ATOM 7 O MET A 1 12.366 22.058 4.241 1.00 0.00 ATOM 8 C MET A 1 12.370 23.175 3.730 1.00 0.00 ATOM 9 N THR A 2 13.475 23.870 3.524 1.00 0.00 ATOM 10 CA THR A 2 14.793 23.299 3.746 1.00 0.00 ATOM 11 CB THR A 2 15.488 23.115 2.405 1.00 0.00 ATOM 12 CG2 THR A 2 16.903 22.564 2.572 1.00 0.00 ATOM 13 OG1 THR A 2 14.722 22.196 1.617 1.00 0.00 ATOM 14 O THR A 2 15.474 25.485 4.457 1.00 0.00 ATOM 15 C THR A 2 15.566 24.260 4.634 1.00 0.00 ATOM 16 N ARG A 3 16.308 23.699 5.584 1.00 0.00 ATOM 17 CA ARG A 3 17.149 24.485 6.468 1.00 0.00 ATOM 18 CB ARG A 3 17.169 23.862 7.867 1.00 0.00 ATOM 19 CG ARG A 3 17.790 24.715 8.963 1.00 0.00 ATOM 20 CD ARG A 3 16.884 25.823 9.415 1.00 0.00 ATOM 21 NE ARG A 3 17.451 26.583 10.522 1.00 0.00 ATOM 22 CZ ARG A 3 17.117 27.845 10.768 1.00 0.00 ATOM 23 NH1 ARG A 3 16.245 28.451 9.990 1.00 0.00 ATOM 24 NH2 ARG A 3 17.654 28.503 11.790 1.00 0.00 ATOM 25 O ARG A 3 19.083 23.431 5.460 1.00 0.00 ATOM 26 C ARG A 3 18.559 24.490 5.861 1.00 0.00 ATOM 27 N TYR A 4 19.140 25.688 5.790 1.00 0.00 ATOM 28 CA TYR A 4 20.460 25.916 5.186 1.00 0.00 ATOM 29 CB TYR A 4 20.345 26.874 3.994 1.00 0.00 ATOM 30 CG TYR A 4 19.628 26.300 2.807 1.00 0.00 ATOM 31 CD1 TYR A 4 20.303 25.566 1.834 1.00 0.00 ATOM 32 CD2 TYR A 4 18.263 26.521 2.646 1.00 0.00 ATOM 33 CE1 TYR A 4 19.614 25.036 0.735 1.00 0.00 ATOM 34 CE2 TYR A 4 17.584 26.003 1.575 1.00 0.00 ATOM 35 CZ TYR A 4 18.251 25.287 0.619 1.00 0.00 ATOM 36 OH TYR A 4 17.522 24.773 -0.438 1.00 0.00 ATOM 37 O TYR A 4 21.009 27.340 7.037 1.00 0.00 ATOM 38 C TYR A 4 21.424 26.564 6.148 1.00 0.00 ATOM 39 N ALA A 5 22.707 26.260 5.947 1.00 0.00 ATOM 40 CA ALA A 5 23.806 26.993 6.549 1.00 0.00 ATOM 41 CB ALA A 5 24.813 26.008 7.179 1.00 0.00 ATOM 42 O ALA A 5 24.765 27.244 4.364 1.00 0.00 ATOM 43 C ALA A 5 24.481 27.786 5.443 1.00 0.00 ATOM 44 N LEU A 6 24.717 29.061 5.735 1.00 0.00 ATOM 45 CA LEU A 6 25.369 29.999 4.832 1.00 0.00 ATOM 46 CB LEU A 6 24.433 31.199 4.601 1.00 0.00 ATOM 47 CG LEU A 6 25.028 32.438 3.926 1.00 0.00 ATOM 48 CD1 LEU A 6 25.557 32.154 2.547 1.00 0.00 ATOM 49 CD2 LEU A 6 23.972 33.548 3.859 1.00 0.00 ATOM 50 O LEU A 6 26.560 31.091 6.628 1.00 0.00 ATOM 51 C LEU A 6 26.635 30.444 5.573 1.00 0.00 ATOM 52 N LEU A 7 27.806 30.077 5.031 1.00 0.00 ATOM 53 CA LEU A 7 29.085 30.349 5.702 1.00 0.00 ATOM 54 CB LEU A 7 29.845 29.039 5.984 1.00 0.00 ATOM 55 CG LEU A 7 29.023 27.883 6.534 1.00 0.00 ATOM 56 CD1 LEU A 7 29.924 26.641 6.620 1.00 0.00 ATOM 57 CD2 LEU A 7 28.440 28.196 7.888 1.00 0.00 ATOM 58 O LEU A 7 29.998 31.025 3.612 1.00 0.00 ATOM 59 C LEU A 7 29.921 31.243 4.820 1.00 0.00 ATOM 60 N VAL A 8 30.521 32.258 5.420 1.00 0.00 ATOM 61 CA VAL A 8 31.318 33.230 4.654 1.00 0.00 ATOM 62 CB VAL A 8 30.617 34.614 4.530 1.00 0.00 ATOM 63 CG1 VAL A 8 29.278 34.471 3.802 1.00 0.00 ATOM 64 CG2 VAL A 8 30.422 35.273 5.873 1.00 0.00 ATOM 65 O VAL A 8 32.885 33.194 6.462 1.00 0.00 ATOM 66 C VAL A 8 32.702 33.347 5.266 1.00 0.00 ATOM 67 N ARG A 9 33.687 33.603 4.417 1.00 0.00 ATOM 68 CA ARG A 9 35.065 33.776 4.900 1.00 0.00 ATOM 69 CB ARG A 9 36.048 33.045 3.978 1.00 0.00 ATOM 70 CG ARG A 9 36.080 33.622 2.584 1.00 0.00 ATOM 71 CD ARG A 9 37.458 33.724 1.913 1.00 0.00 ATOM 72 NE ARG A 9 38.609 33.750 2.814 1.00 0.00 ATOM 73 CZ ARG A 9 39.376 34.812 3.080 1.00 0.00 ATOM 74 NH1 ARG A 9 40.393 34.692 3.922 1.00 0.00 ATOM 75 NH2 ARG A 9 39.142 35.972 2.514 1.00 0.00 ATOM 76 O ARG A 9 34.838 36.093 4.259 1.00 0.00 ATOM 77 C ARG A 9 35.435 35.253 4.957 1.00 0.00 ATOM 78 N GLY A 10 36.400 35.574 5.802 1.00 0.00 ATOM 79 CA GLY A 10 37.095 36.857 5.748 1.00 0.00 ATOM 80 O GLY A 10 36.905 39.191 6.249 1.00 0.00 ATOM 81 C GLY A 10 36.414 38.066 6.380 1.00 0.00 ATOM 82 N ILE A 11 35.325 37.854 7.111 1.00 0.00 ATOM 83 CA ILE A 11 34.614 38.968 7.710 1.00 0.00 ATOM 84 CB ILE A 11 33.079 38.827 7.554 1.00 0.00 ATOM 85 CG1 ILE A 11 32.526 37.738 8.480 1.00 0.00 ATOM 86 CG2 ILE A 11 32.706 38.647 6.091 1.00 0.00 ATOM 87 CD1 ILE A 11 30.995 37.831 8.629 1.00 0.00 ATOM 88 O ILE A 11 35.485 38.296 9.857 1.00 0.00 ATOM 89 C ILE A 11 35.001 39.213 9.164 1.00 0.00 ATOM 90 N ASN A 12 34.769 40.438 9.620 1.00 0.00 ATOM 91 CA ASN A 12 34.980 40.803 11.028 1.00 0.00 ATOM 92 CB ASN A 12 33.862 40.221 11.902 1.00 0.00 ATOM 93 CG ASN A 12 32.533 40.870 11.611 1.00 0.00 ATOM 94 ND2 ASN A 12 31.465 40.087 11.663 1.00 0.00 ATOM 95 OD1 ASN A 12 32.467 42.071 11.334 1.00 0.00 ATOM 96 O ASN A 12 36.539 39.802 12.576 1.00 0.00 ATOM 97 C ASN A 12 36.368 40.432 11.519 1.00 0.00 ATOM 98 N VAL A 13 37.349 40.792 10.698 1.00 0.00 ATOM 99 CA VAL A 13 38.770 40.628 11.034 1.00 0.00 ATOM 100 CB VAL A 13 39.325 39.245 10.544 1.00 0.00 ATOM 101 CG1 VAL A 13 38.869 38.906 9.142 1.00 0.00 ATOM 102 CG2 VAL A 13 40.861 39.133 10.674 1.00 0.00 ATOM 103 O VAL A 13 39.098 42.526 9.544 1.00 0.00 ATOM 104 C VAL A 13 39.547 41.847 10.489 1.00 0.00 ATOM 105 N GLY 14 40.665 42.159 11.137 1.00 0.00 ATOM 106 CA GLY 14 41.638 43.129 10.619 1.00 0.00 ATOM 107 C LYS 16 36.867 44.161 8.303 1.00 0.00 ATOM 108 N ASN A 17 36.034 44.632 6.991 1.00 0.00 ATOM 109 CA ASN A 17 35.050 43.680 6.474 1.00 0.00 ATOM 110 CB ASN A 17 35.702 42.370 6.015 1.00 0.00 ATOM 111 CG ASN A 17 36.536 42.547 4.755 1.00 0.00 ATOM 112 ND2 ASN A 17 37.089 41.453 4.244 1.00 0.00 ATOM 113 OD1 ASN A 17 36.644 43.658 4.224 1.00 0.00 ATOM 114 O ASN A 17 33.598 42.327 7.867 1.00 0.00 ATOM 115 C ASN A 17 33.954 43.466 7.515 1.00 0.00 ATOM 116 N LYS A 18 33.419 44.579 7.997 1.00 0.00 ATOM 117 CA LYS A 18 32.520 44.552 9.130 1.00 0.00 ATOM 118 CB LYS A 18 32.485 45.919 9.832 1.00 0.00 ATOM 119 CG LYS A 18 31.458 45.987 10.938 1.00 0.00 ATOM 120 CD LYS A 18 31.712 47.139 11.914 1.00 0.00 ATOM 121 CE LYS A 18 30.714 47.083 13.061 1.00 0.00 ATOM 122 NZ LYS A 18 31.066 45.977 14.010 1.00 0.00 ATOM 123 O LYS A 18 30.517 44.701 7.823 1.00 0.00 ATOM 124 C LYS A 18 31.115 44.142 8.744 1.00 0.00 ATOM 125 N VAL A 19 30.599 43.169 9.495 1.00 0.00 ATOM 126 CA VAL A 19 29.215 42.719 9.347 1.00 0.00 ATOM 127 CB VAL A 19 29.132 41.354 8.633 1.00 0.00 ATOM 128 CG1 VAL A 19 27.672 40.962 8.447 1.00 0.00 ATOM 129 CG2 VAL A 19 29.889 41.351 7.302 1.00 0.00 ATOM 130 O VAL A 19 29.152 41.847 11.584 1.00 0.00 ATOM 131 C VAL A 19 28.623 42.598 10.749 1.00 0.00 ATOM 132 N VAL A 20 27.553 43.346 11.009 1.00 0.00 ATOM 133 CA VAL A 20 26.860 43.253 12.296 1.00 0.00 ATOM 134 CB VAL A 20 26.218 44.615 12.678 1.00 0.00 ATOM 135 CG1 VAL A 20 25.452 44.506 13.996 1.00 0.00 ATOM 136 CG2 VAL A 20 27.296 45.687 12.751 1.00 0.00 ATOM 137 O VAL A 20 24.891 42.283 11.328 1.00 0.00 ATOM 138 C VAL A 20 25.800 42.159 12.149 1.00 0.00 ATOM 139 N MET A 21 25.894 41.110 12.958 1.00 0.00 ATOM 140 CA MET A 21 24.979 39.975 12.781 1.00 0.00 ATOM 141 CB MET A 21 25.274 38.859 13.786 1.00 0.00 ATOM 142 CG MET A 21 26.605 38.159 13.521 1.00 0.00 ATOM 143 SD MET A 21 26.695 37.313 11.739 1.00 0.00 ATOM 144 CE MET A 21 28.267 38.289 11.083 1.00 0.00 ATOM 145 O MET A 21 22.711 39.864 12.079 1.00 0.00 ATOM 146 C MET A 21 23.513 40.355 12.856 1.00 0.00 ATOM 147 N ALA A 22 23.136 41.202 13.805 1.00 0.00 ATOM 148 CA ALA A 22 21.727 41.565 13.925 1.00 0.00 ATOM 149 CB ALA A 22 21.535 42.455 15.105 1.00 0.00 ATOM 150 O ALA A 22 20.060 42.056 12.263 1.00 0.00 ATOM 151 C ALA A 22 21.222 42.250 12.668 1.00 0.00 ATOM 152 N GLU A 23 22.087 43.043 12.040 1.00 0.00 ATOM 153 CA GLU A 23 21.717 43.754 10.823 1.00 0.00 ATOM 154 CB GLU A 23 22.758 44.802 10.479 1.00 0.00 ATOM 155 CG GLU A 23 22.765 45.934 11.498 1.00 0.00 ATOM 156 CD GLU A 23 23.840 46.991 11.257 1.00 0.00 ATOM 157 OE1 GLU A 23 24.582 46.945 10.252 1.00 0.00 ATOM 158 OE2 GLU A 23 23.934 47.908 12.104 1.00 0.00 ATOM 159 O GLU A 23 20.621 42.775 8.941 1.00 0.00 ATOM 160 C GLU A 23 21.588 42.750 9.691 1.00 0.00 ATOM 161 N LEU A 24 22.561 41.847 9.565 1.00 0.00 ATOM 162 CA LEU A 24 22.517 40.882 8.491 1.00 0.00 ATOM 163 CB LEU A 24 23.801 40.052 8.504 1.00 0.00 ATOM 164 CG LEU A 24 23.857 38.939 7.470 1.00 0.00 ATOM 165 CD1 LEU A 24 23.838 39.520 6.057 1.00 0.00 ATOM 166 CD2 LEU A 24 25.129 38.131 7.687 1.00 0.00 ATOM 167 O LEU A 24 20.644 39.701 7.586 1.00 0.00 ATOM 168 C LEU A 24 21.288 40.006 8.608 1.00 0.00 ATOM 169 N ARG A 25 20.955 39.566 9.825 1.00 0.00 ATOM 170 CA ARG A 25 19.799 38.686 9.990 1.00 0.00 ATOM 171 CB ARG A 25 19.631 38.196 11.436 1.00 0.00 ATOM 172 CG ARG A 25 20.741 37.269 11.922 1.00 0.00 ATOM 173 CD ARG A 25 20.411 36.576 13.251 1.00 0.00 ATOM 174 NE ARG A 25 20.092 37.538 14.305 1.00 0.00 ATOM 175 CZ ARG A 25 20.973 38.024 15.189 1.00 0.00 ATOM 176 NH1 ARG A 25 22.241 37.639 15.184 1.00 0.00 ATOM 177 NH2 ARG A 25 20.569 38.898 16.103 1.00 0.00 ATOM 178 O ARG A 25 17.681 38.799 8.891 1.00 0.00 ATOM 179 C ARG A 25 18.529 39.404 9.550 1.00 0.00 ATOM 180 N GLN A 26 18.399 40.682 9.881 1.00 0.00 ATOM 181 CA GLN A 26 17.201 41.414 9.467 1.00 0.00 ATOM 182 CB GLN A 26 17.072 42.746 10.189 1.00 0.00 ATOM 183 CG GLN A 26 15.733 43.469 9.868 1.00 0.00 ATOM 184 CD GLN A 26 14.471 42.662 10.271 1.00 0.00 ATOM 185 OE1 GLN A 26 14.278 42.336 11.445 1.00 0.00 ATOM 186 NE2 GLN A 26 13.625 42.336 9.292 1.00 0.00 ATOM 187 O GLN A 26 16.118 41.534 7.304 1.00 0.00 ATOM 188 C GLN A 26 17.182 41.651 7.948 1.00 0.00 ATOM 189 N GLU A 27 18.341 41.956 7.363 1.00 0.00 ATOM 190 CA GLU A 27 18.422 42.151 5.913 1.00 0.00 ATOM 191 CB GLU A 27 19.820 42.669 5.501 1.00 0.00 ATOM 192 CG GLU A 27 20.123 44.042 6.132 1.00 0.00 ATOM 193 CD GLU A 27 21.597 44.389 6.282 1.00 0.00 ATOM 194 OE1 GLU A 27 22.470 43.546 6.011 1.00 0.00 ATOM 195 OE2 GLU A 27 21.897 45.525 6.751 1.00 0.00 ATOM 196 O GLU A 27 17.310 40.926 4.177 1.00 0.00 ATOM 197 C GLU A 27 18.049 40.881 5.165 1.00 0.00 ATOM 198 N LEU A 28 18.559 39.742 5.642 1.00 0.00 ATOM 199 CA LEU A 28 18.226 38.474 4.997 1.00 0.00 ATOM 200 CB LEU A 28 19.136 37.352 5.485 1.00 0.00 ATOM 201 CG LEU A 28 20.612 37.519 5.118 1.00 0.00 ATOM 202 CD1 LEU A 28 21.404 36.360 5.716 1.00 0.00 ATOM 203 CD2 LEU A 28 20.854 37.588 3.616 1.00 0.00 ATOM 204 O LEU A 28 16.153 37.504 4.298 1.00 0.00 ATOM 205 C LEU A 28 16.762 38.121 5.189 1.00 0.00 ATOM 206 N THR A 29 16.201 38.477 6.347 1.00 0.00 ATOM 207 CA THR A 29 14.759 38.302 6.563 1.00 0.00 ATOM 208 CB THR A 29 14.378 38.672 8.000 1.00 0.00 ATOM 209 CG2 THR A 29 12.889 38.480 8.256 1.00 0.00 ATOM 210 OG1 THR A 29 15.087 37.805 8.888 1.00 0.00 ATOM 211 O THR A 29 13.012 38.676 4.921 1.00 0.00 ATOM 212 C THR A 29 13.986 39.146 5.536 1.00 0.00 ATOM 213 N ASN A 30 14.418 40.394 5.351 1.00 0.00 ATOM 214 CA ASN A 30 13.798 41.278 4.346 1.00 0.00 ATOM 215 CB ASN A 30 14.387 42.673 4.444 1.00 0.00 ATOM 216 CG ASN A 30 13.957 43.407 5.686 1.00 0.00 ATOM 217 ND2 ASN A 30 14.603 44.538 5.958 1.00 0.00 ATOM 218 OD1 ASN A 30 13.050 42.977 6.394 1.00 0.00 ATOM 219 O ASN A 30 13.025 40.923 2.090 1.00 0.00 ATOM 220 C ASN A 30 13.925 40.735 2.924 1.00 0.00 ATOM 221 N LEU A 31 15.049 40.082 2.653 1.00 0.00 ATOM 222 CA LEU A 31 15.302 39.427 1.360 1.00 0.00 ATOM 223 CB LEU A 31 16.768 38.960 1.321 1.00 0.00 ATOM 224 CG LEU A 31 17.427 38.512 0.013 1.00 0.00 ATOM 225 CD1 LEU A 31 17.548 39.662 -0.978 1.00 0.00 ATOM 226 CD2 LEU A 31 18.787 37.944 0.355 1.00 0.00 ATOM 227 O LEU A 31 14.203 37.790 -0.039 1.00 0.00 ATOM 228 C LEU A 31 14.345 38.256 1.109 1.00 0.00 ATOM 229 N GLY A 32 13.721 37.749 2.170 1.00 0.00 ATOM 230 CA GLY A 32 12.724 36.687 2.067 1.00 0.00 ATOM 231 O GLY A 32 12.358 34.375 2.628 1.00 0.00 ATOM 232 C GLY A 32 13.107 35.350 2.721 1.00 0.00 ATOM 233 N LEU A 33 14.256 35.297 3.384 1.00 0.00 ATOM 234 CA LEU A 33 14.685 34.065 4.062 1.00 0.00 ATOM 235 CB LEU A 33 16.201 34.066 4.220 1.00 0.00 ATOM 236 CG LEU A 33 16.945 34.291 2.900 1.00 0.00 ATOM 237 CD1 LEU A 33 18.428 34.078 3.130 1.00 0.00 ATOM 238 CD2 LEU A 33 16.438 33.425 1.739 1.00 0.00 ATOM 239 O LEU A 33 13.744 35.050 6.020 1.00 0.00 ATOM 240 C LEU A 33 14.011 33.999 5.417 1.00 0.00 ATOM 241 N GLU A 34 13.754 32.793 5.925 1.00 0.00 ATOM 242 CA GLU A 34 12.962 32.643 7.158 1.00 0.00 ATOM 243 CB GLU A 34 11.742 31.754 6.910 1.00 0.00 ATOM 244 CG GLU A 34 10.822 32.313 5.844 1.00 0.00 ATOM 245 CD GLU A 34 9.602 31.446 5.639 1.00 0.00 ATOM 246 OE1 GLU A 34 8.780 31.345 6.577 1.00 0.00 ATOM 247 OE2 GLU A 34 9.471 30.864 4.540 1.00 0.00 ATOM 248 O GLU A 34 14.720 31.349 8.130 1.00 0.00 ATOM 249 C GLU A 34 13.751 32.089 8.323 1.00 0.00 ATOM 250 N LYS A 35 13.321 32.456 9.530 1.00 0.00 ATOM 251 CA LYS A 35 13.882 31.923 10.773 1.00 0.00 ATOM 252 CB LYS A 35 13.465 30.467 10.994 1.00 0.00 ATOM 253 CG LYS A 35 11.954 30.291 11.053 1.00 0.00 ATOM 254 CD LYS A 35 11.571 28.933 11.602 1.00 0.00 ATOM 255 CE LYS A 35 10.127 28.933 12.085 1.00 0.00 ATOM 256 NZ LYS A 35 9.151 29.151 10.975 1.00 0.00 ATOM 257 O LYS A 35 16.173 31.106 10.981 1.00 0.00 ATOM 258 C LYS A 35 15.410 32.065 10.749 1.00 0.00 ATOM 259 N VAL A 36 15.865 33.273 10.457 1.00 0.00 ATOM 260 CA VAL A 36 17.277 33.522 10.276 1.00 0.00 ATOM 261 CB VAL A 36 17.514 34.790 9.419 1.00 0.00 ATOM 262 CG1 VAL A 36 19.009 34.980 9.093 1.00 0.00 ATOM 263 CG2 VAL A 36 16.721 34.712 8.123 1.00 0.00 ATOM 264 O VAL A 36 17.603 34.402 12.512 1.00 0.00 ATOM 265 C VAL A 36 17.992 33.618 11.626 1.00 0.00 ATOM 266 N GLU A 37 19.050 32.808 11.779 1.00 0.00 ATOM 267 CA GLU A 37 19.838 32.746 13.012 1.00 0.00 ATOM 268 CB GLU A 37 19.576 31.420 13.741 1.00 0.00 ATOM 269 CG GLU A 37 18.113 31.234 14.167 1.00 0.00 ATOM 270 CD GLU A 37 17.891 29.976 14.977 1.00 0.00 ATOM 271 OE1 GLU A 37 18.883 29.391 15.466 1.00 0.00 ATOM 272 OE2 GLU A 37 16.719 29.580 15.133 1.00 0.00 ATOM 273 O GLU A 37 21.695 32.649 11.491 1.00 0.00 ATOM 274 C GLU A 37 21.318 32.858 12.641 1.00 0.00 ATOM 275 N SER A 38 22.147 33.233 13.600 1.00 0.00 ATOM 276 CA SER A 38 23.584 33.208 13.398 1.00 0.00 ATOM 277 CB SER A 38 24.120 34.611 13.072 1.00 0.00 ATOM 278 OG SER A 38 23.834 35.535 14.109 1.00 0.00 ATOM 279 O SER A 38 23.760 32.537 15.695 1.00 0.00 ATOM 280 C SER A 38 24.302 32.613 14.592 1.00 0.00 ATOM 281 N TYR A 39 25.534 32.187 14.343 1.00 0.00 ATOM 282 CA TYR A 39 26.391 31.628 15.390 1.00 0.00 ATOM 283 CB TYR A 39 26.594 30.129 15.160 1.00 0.00 ATOM 284 CG TYR A 39 27.607 29.535 16.109 1.00 0.00 ATOM 285 CD1 TYR A 39 27.360 29.497 17.483 1.00 0.00 ATOM 286 CD2 TYR A 39 28.832 29.055 15.635 1.00 0.00 ATOM 287 CE1 TYR A 39 28.299 28.953 18.362 1.00 0.00 ATOM 288 CE2 TYR A 39 29.772 28.510 16.511 1.00 0.00 ATOM 289 CZ TYR A 39 29.490 28.489 17.861 1.00 0.00 ATOM 290 OH TYR A 39 30.426 27.965 18.729 1.00 0.00 ATOM 291 O TYR A 39 28.344 32.511 14.299 1.00 0.00 ATOM 292 C TYR A 39 27.711 32.386 15.357 1.00 0.00 ATOM 293 N ILE A 40 28.086 32.904 16.527 1.00 0.00 ATOM 294 CA ILE A 40 29.264 33.773 16.685 1.00 0.00 ATOM 295 CB ILE A 40 30.584 32.977 16.952 1.00 0.00 ATOM 296 CG1 ILE A 40 31.004 32.094 15.785 1.00 0.00 ATOM 297 CG2 ILE A 40 30.414 32.161 18.265 1.00 0.00 ATOM 298 CD1 ILE A 40 32.348 31.340 16.022 1.00 0.00 ATOM 299 O ILE A 40 28.324 35.356 15.188 1.00 0.00 ATOM 300 C ILE A 40 29.358 34.874 15.637 1.00 0.00 ATOM 301 N ASN A 41 30.565 35.288 15.257 1.00 0.00 ATOM 302 CA ASN A 41 30.697 36.513 14.462 1.00 0.00 ATOM 303 CB ASN A 41 31.306 37.629 15.312 1.00 0.00 ATOM 304 CG ASN A 41 30.831 39.000 14.890 1.00 0.00 ATOM 305 ND2 ASN A 41 31.714 39.999 14.994 1.00 0.00 ATOM 306 OD1 ASN A 41 29.676 39.178 14.506 1.00 0.00 ATOM 307 O ASN A 41 31.744 37.313 12.459 1.00 0.00 ATOM 308 C ASN A 41 31.508 36.345 13.197 1.00 0.00 ATOM 309 N SER A 42 31.899 35.118 12.908 1.00 0.00 ATOM 310 CA SER A 42 32.748 34.863 11.755 1.00 0.00 ATOM 311 CB SER A 42 33.680 33.676 12.028 1.00 0.00 ATOM 312 OG SER A 42 32.925 32.512 12.383 1.00 0.00 ATOM 313 O SER A 42 32.621 34.430 9.429 1.00 0.00 ATOM 314 C SER A 42 32.000 34.602 10.477 1.00 0.00 ATOM 315 N GLY A 43 30.673 34.564 10.550 1.00 0.00 ATOM 316 CA GLY A 43 29.830 34.387 9.366 1.00 0.00 ATOM 317 O GLY A 43 29.565 32.268 8.286 1.00 0.00 ATOM 318 C GLY A 43 29.243 32.998 9.236 1.00 0.00 ATOM 319 N ASN A 44 28.399 32.632 10.197 1.00 0.00 ATOM 320 CA ASN A 44 27.670 31.372 10.204 1.00 0.00 ATOM 321 CB ASN A 44 28.167 30.514 11.367 1.00 0.00 ATOM 322 CG ASN A 44 29.676 30.449 11.400 1.00 0.00 ATOM 323 ND2 ASN A 44 30.281 31.118 12.371 1.00 0.00 ATOM 324 OD1 ASN A 44 30.285 29.861 10.506 1.00 0.00 ATOM 325 O ASN A 44 25.757 32.063 11.480 1.00 0.00 ATOM 326 C ASN A 44 26.206 31.707 10.376 1.00 0.00 ATOM 327 N ILE A 45 25.493 31.652 9.251 1.00 0.00 ATOM 328 CA ILE A 45 24.085 32.045 9.195 1.00 0.00 ATOM 329 CB ILE A 45 23.882 33.103 8.076 1.00 0.00 ATOM 330 CG1 ILE A 45 24.640 34.417 8.341 1.00 0.00 ATOM 331 CG2 ILE A 45 22.404 33.384 7.809 1.00 0.00 ATOM 332 CD1 ILE A 45 25.016 34.732 9.709 1.00 0.00 ATOM 333 O ILE A 45 23.684 29.965 8.079 1.00 0.00 ATOM 334 C ILE A 45 23.237 30.817 8.852 1.00 0.00 ATOM 335 N PHE A 46 22.043 30.712 9.436 1.00 0.00 ATOM 336 CA PHE A 46 21.160 29.583 9.214 1.00 0.00 ATOM 337 CB PHE A 46 21.106 28.704 10.469 1.00 0.00 ATOM 338 CG PHE A 46 22.468 28.275 10.908 1.00 0.00 ATOM 339 CD1 PHE A 46 23.010 27.089 10.413 1.00 0.00 ATOM 340 CD2 PHE A 46 23.247 29.116 11.703 1.00 0.00 ATOM 341 CE1 PHE A 46 24.322 26.740 10.743 1.00 0.00 ATOM 342 CE2 PHE A 46 24.558 28.766 12.030 1.00 0.00 ATOM 343 CZ PHE A 46 25.088 27.589 11.533 1.00 0.00 ATOM 344 O PHE A 46 19.374 31.145 9.472 1.00 0.00 ATOM 345 C PHE A 46 19.802 30.144 8.885 1.00 0.00 ATOM 346 N PHE A 47 19.158 29.551 7.884 1.00 0.00 ATOM 347 CA PHE A 47 17.825 30.030 7.484 1.00 0.00 ATOM 348 CB PHE A 47 17.936 31.243 6.543 1.00 0.00 ATOM 349 CG PHE A 47 18.495 30.919 5.191 1.00 0.00 ATOM 350 CD1 PHE A 47 17.663 30.460 4.168 1.00 0.00 ATOM 351 CD2 PHE A 47 19.873 31.026 4.944 1.00 0.00 ATOM 352 CE1 PHE A 47 18.169 30.145 2.932 1.00 0.00 ATOM 353 CE2 PHE A 47 20.379 30.718 3.676 1.00 0.00 ATOM 354 CZ PHE A 47 19.527 30.260 2.686 1.00 0.00 ATOM 355 O PHE A 47 17.591 27.889 6.467 1.00 0.00 ATOM 356 C PHE A 47 17.038 28.917 6.848 1.00 0.00 ATOM 357 N THR A 48 15.732 29.142 6.744 1.00 0.00 ATOM 358 CA THR A 48 14.840 28.194 6.097 1.00 0.00 ATOM 359 CB THR A 48 13.691 27.798 7.036 1.00 0.00 ATOM 360 CG2 THR A 48 12.741 26.808 6.353 1.00 0.00 ATOM 361 OG1 THR A 48 14.257 27.180 8.198 1.00 0.00 ATOM 362 O THR A 48 13.928 30.024 4.833 1.00 0.00 ATOM 363 C THR A 48 14.267 28.828 4.852 1.00 0.00 ATOM 364 N SER A 49 14.155 28.028 3.799 1.00 0.00 ATOM 365 CA SER A 49 13.539 28.487 2.560 1.00 0.00 ATOM 366 CB SER A 49 14.542 29.266 1.704 1.00 0.00 ATOM 367 OG SER A 49 13.929 29.796 0.542 1.00 0.00 ATOM 368 O SER A 49 13.571 26.213 1.792 1.00 0.00 ATOM 369 C SER A 49 13.002 27.309 1.755 1.00 0.00 ATOM 370 N ILE A 50 11.933 27.567 1.015 1.00 0.00 ATOM 371 CA ILE A 50 11.430 26.604 0.047 1.00 0.00 ATOM 372 CB ILE A 50 9.897 26.430 0.188 1.00 0.00 ATOM 373 CG1 ILE A 50 9.422 25.170 -0.545 1.00 0.00 ATOM 374 CG2 ILE A 50 9.168 27.686 -0.276 1.00 0.00 ATOM 375 CD1 ILE A 50 8.139 24.616 -0.005 1.00 0.00 ATOM 376 O ILE A 50 11.485 26.313 -2.350 1.00 0.00 ATOM 377 C ILE A 50 11.818 27.008 -1.378 1.00 0.00 ATOM 378 N ASP A 51 12.534 28.119 -1.522 1.00 0.00 ATOM 379 CA ASP A 51 12.995 28.553 -2.828 1.00 0.00 ATOM 380 CB ASP A 51 13.604 29.941 -2.709 1.00 0.00 ATOM 381 CG ASP A 51 13.459 30.761 -3.977 1.00 0.00 ATOM 382 OD1 ASP A 51 13.046 30.200 -5.031 1.00 0.00 ATOM 383 OD2 ASP A 51 13.763 31.966 -3.899 1.00 0.00 ATOM 384 O ASP A 51 14.664 26.839 -2.581 1.00 0.00 ATOM 385 C ASP A 51 14.024 27.556 -3.366 1.00 0.00 ATOM 386 N SER A 52 14.191 27.494 -4.685 1.00 0.00 ATOM 387 CA SER A 52 15.209 26.585 -5.252 1.00 0.00 ATOM 388 CB SER A 52 15.144 26.528 -6.781 1.00 0.00 ATOM 389 OG SER A 52 15.578 27.747 -7.373 1.00 0.00 ATOM 390 O SER A 52 16.878 28.224 -4.652 1.00 0.00 ATOM 391 C SER A 52 16.617 27.026 -4.832 1.00 0.00 ATOM 392 N LYS A 53 17.525 26.068 -4.686 1.00 0.00 ATOM 393 CA LYS A 53 18.870 26.456 -4.304 1.00 0.00 ATOM 394 CB LYS A 53 19.754 25.241 -4.107 1.00 0.00 ATOM 395 CG LYS A 53 21.045 25.633 -3.340 1.00 0.00 ATOM 396 CD LYS A 53 21.967 24.476 -3.121 1.00 0.00 ATOM 397 CE LYS A 53 23.276 24.999 -2.569 1.00 0.00 ATOM 398 NZ LYS A 53 24.148 23.862 -2.234 1.00 0.00 ATOM 399 O LYS A 53 20.151 28.347 -4.988 1.00 0.00 ATOM 400 C LYS A 53 19.470 27.402 -5.338 1.00 0.00 ATOM 401 N ALA A 54 19.214 27.173 -6.618 1.00 0.00 ATOM 402 CA ALA A 54 19.785 28.048 -7.634 1.00 0.00 ATOM 403 CB ALA A 54 19.481 27.527 -9.044 1.00 0.00 ATOM 404 O ALA A 54 20.099 30.439 -7.605 1.00 0.00 ATOM 405 C ALA A 54 19.304 29.495 -7.467 1.00 0.00 ATOM 406 N GLN A 55 18.024 29.687 -7.149 1.00 0.00 ATOM 407 CA GLN A 55 17.519 31.037 -6.910 1.00 0.00 ATOM 408 CB GLN A 55 15.987 31.083 -6.982 1.00 0.00 ATOM 409 CG GLN A 55 15.515 30.827 -8.423 1.00 0.00 ATOM 410 CD GLN A 55 14.038 31.108 -8.699 1.00 0.00 ATOM 411 OE1 GLN A 55 13.672 31.386 -9.841 1.00 0.00 ATOM 412 NE2 GLN A 55 13.188 31.026 -7.671 1.00 0.00 ATOM 413 O GLN A 55 18.257 32.857 -5.536 1.00 0.00 ATOM 414 C GLN A 55 18.045 31.643 -5.611 1.00 0.00 ATOM 415 N LEU A 56 18.258 30.806 -4.593 1.00 0.00 ATOM 416 CA LEU A 56 18.886 31.269 -3.365 1.00 0.00 ATOM 417 CB LEU A 56 18.904 30.168 -2.293 1.00 0.00 ATOM 418 CG LEU A 56 17.531 29.875 -1.710 1.00 0.00 ATOM 419 CD1 LEU A 56 17.548 28.597 -0.878 1.00 0.00 ATOM 420 CD2 LEU A 56 17.023 31.064 -0.880 1.00 0.00 ATOM 421 O LEU A 56 20.685 32.815 -3.117 1.00 0.00 ATOM 422 C LEU A 56 20.301 31.762 -3.633 1.00 0.00 ATOM 423 N VAL A 57 21.090 31.001 -4.391 1.00 0.00 ATOM 424 CA VAL A 57 22.453 31.402 -4.664 1.00 0.00 ATOM 425 CB VAL A 57 23.181 30.303 -5.467 1.00 0.00 ATOM 426 CG1 VAL A 57 24.523 30.800 -5.978 1.00 0.00 ATOM 427 CG2 VAL A 57 23.381 29.070 -4.605 1.00 0.00 ATOM 428 O VAL A 57 23.246 33.623 -5.100 1.00 0.00 ATOM 429 C VAL A 57 22.462 32.720 -5.424 1.00 0.00 ATOM 430 N GLU A 58 21.576 32.870 -6.407 1.00 0.00 ATOM 431 CA GLU A 58 21.531 34.109 -7.178 1.00 0.00 ATOM 432 CB GLU A 58 20.555 33.973 -8.348 1.00 0.00 ATOM 433 CG GLU A 58 20.633 35.131 -9.326 1.00 0.00 ATOM 434 CD GLU A 58 19.807 36.324 -8.884 1.00 0.00 ATOM 435 OE1 GLU A 58 18.672 36.128 -8.387 1.00 0.00 ATOM 436 OE2 GLU A 58 20.288 37.472 -9.031 1.00 0.00 ATOM 437 O GLU A 58 21.757 36.350 -6.367 1.00 0.00 ATOM 438 C GLU A 58 21.131 35.286 -6.295 1.00 0.00 ATOM 439 N LYS A 59 20.115 35.085 -5.456 1.00 0.00 ATOM 440 CA LYS A 59 19.669 36.148 -4.572 1.00 0.00 ATOM 441 CB LYS A 59 18.457 35.696 -3.773 1.00 0.00 ATOM 442 CG LYS A 59 17.157 35.782 -4.559 1.00 0.00 ATOM 443 CD LYS A 59 15.970 35.270 -3.751 1.00 0.00 ATOM 444 CE LYS A 59 15.525 36.327 -2.720 1.00 0.00 ATOM 445 NZ LYS A 59 14.241 35.959 -2.022 1.00 0.00 ATOM 446 O LYS A 59 20.966 37.746 -3.370 1.00 0.00 ATOM 447 C LYS A 59 20.772 36.560 -3.626 1.00 0.00 ATOM 448 N LEU A 60 21.489 35.575 -3.085 1.00 0.00 ATOM 449 CA LEU A 60 22.547 35.908 -2.131 1.00 0.00 ATOM 450 CB LEU A 60 22.961 34.665 -1.339 1.00 0.00 ATOM 451 CG LEU A 60 21.935 34.147 -0.339 1.00 0.00 ATOM 452 CD1 LEU A 60 22.293 32.735 0.098 1.00 0.00 ATOM 453 CD2 LEU A 60 21.881 35.076 0.876 1.00 0.00 ATOM 454 O LEU A 60 24.325 37.500 -2.245 1.00 0.00 ATOM 455 C LEU A 60 23.741 36.581 -2.792 1.00 0.00 ATOM 456 N GLU A 61 24.102 36.125 -3.994 1.00 0.00 ATOM 457 CA GLU A 61 25.200 36.797 -4.714 1.00 0.00 ATOM 458 CB GLU A 61 25.543 36.053 -6.010 1.00 0.00 ATOM 459 CG GLU A 61 26.298 34.768 -5.744 1.00 0.00 ATOM 460 CD GLU A 61 26.482 33.873 -6.969 1.00 0.00 ATOM 461 OE1 GLU A 61 25.854 34.139 -8.015 1.00 0.00 ATOM 462 OE2 GLU A 61 27.262 32.889 -6.835 1.00 0.00 ATOM 463 O GLU A 61 25.723 39.157 -4.833 1.00 0.00 ATOM 464 C GLU A 61 24.886 38.251 -5.016 1.00 0.00 ATOM 465 N THR A 62 23.667 38.475 -5.479 1.00 0.00 ATOM 466 CA THR A 62 23.222 39.831 -5.771 1.00 0.00 ATOM 467 CB THR A 62 21.864 39.789 -6.476 1.00 0.00 ATOM 468 CG2 THR A 62 21.342 41.196 -6.790 1.00 0.00 ATOM 469 OG1 THR A 62 22.019 39.065 -7.717 1.00 0.00 ATOM 470 O THR A 62 23.639 41.805 -4.443 1.00 0.00 ATOM 471 C THR A 62 23.175 40.661 -4.480 1.00 0.00 ATOM 472 N PHE A 63 22.679 40.056 -3.403 1.00 0.00 ATOM 473 CA PHE A 63 22.633 40.747 -2.122 1.00 0.00 ATOM 474 CB PHE A 63 21.946 39.873 -1.065 1.00 0.00 ATOM 475 CG PHE A 63 22.021 40.438 0.332 1.00 0.00 ATOM 476 CD1 PHE A 63 21.144 41.433 0.711 1.00 0.00 ATOM 477 CD2 PHE A 63 22.954 39.963 1.264 1.00 0.00 ATOM 478 CE1 PHE A 63 21.198 41.986 1.978 1.00 0.00 ATOM 479 CE2 PHE A 63 23.007 40.514 2.526 1.00 0.00 ATOM 480 CZ PHE A 63 22.125 41.514 2.873 1.00 0.00 ATOM 481 O PHE A 63 24.265 42.322 -1.270 1.00 0.00 ATOM 482 C PHE A 63 24.025 41.163 -1.632 1.00 0.00 ATOM 483 N PHE A 64 24.959 40.222 -1.591 1.00 0.00 ATOM 484 CA PHE A 64 26.293 40.582 -1.099 1.00 0.00 ATOM 485 CB PHE A 64 27.194 39.358 -0.925 1.00 0.00 ATOM 486 CG PHE A 64 26.764 38.423 0.171 1.00 0.00 ATOM 487 CD1 PHE A 64 26.500 38.908 1.442 1.00 0.00 ATOM 488 CD2 PHE A 64 26.613 37.050 -0.078 1.00 0.00 ATOM 489 CE1 PHE A 64 26.116 38.020 2.468 1.00 0.00 ATOM 490 CE2 PHE A 64 26.237 36.180 0.949 1.00 0.00 ATOM 491 CZ PHE A 64 25.991 36.676 2.211 1.00 0.00 ATOM 492 O PHE A 64 27.706 42.476 -1.481 1.00 0.00 ATOM 493 C PHE A 64 27.000 41.610 -1.991 1.00 0.00 ATOM 494 N ALA A 65 26.822 41.508 -3.304 1.00 0.00 ATOM 495 CA ALA A 65 27.505 42.430 -4.212 1.00 0.00 ATOM 496 CB ALA A 65 27.205 42.075 -5.648 1.00 0.00 ATOM 497 O ALA A 65 27.991 44.776 -4.136 1.00 0.00 ATOM 498 C ALA A 65 27.162 43.894 -3.924 1.00 0.00 ATOM 499 N VAL A 66 25.952 44.129 -3.425 1.00 0.00 ATOM 500 CA VAL A 66 25.501 45.478 -3.095 1.00 0.00 ATOM 501 CB VAL A 66 23.999 45.609 -3.351 1.00 0.00 ATOM 502 CG1 VAL A 66 23.413 46.892 -2.693 1.00 0.00 ATOM 503 CG2 VAL A 66 23.743 45.618 -4.868 1.00 0.00 ATOM 504 O VAL A 66 26.365 46.919 -1.381 1.00 0.00 ATOM 505 C VAL A 66 25.815 45.841 -1.647 1.00 0.00 ATOM 506 N HIS A 67 25.506 44.938 -0.712 1.00 0.00 ATOM 507 CA HIS A 67 25.507 45.282 0.704 1.00 0.00 ATOM 508 CB HIS A 67 24.340 44.594 1.415 1.00 0.00 ATOM 509 CG HIS A 67 23.002 45.039 0.930 1.00 0.00 ATOM 510 CD2 HIS A 67 22.189 46.031 1.364 1.00 0.00 ATOM 511 ND1 HIS A 67 22.346 44.433 -0.124 1.00 0.00 ATOM 512 CE1 HIS A 67 21.192 45.045 -0.327 1.00 0.00 ATOM 513 NE2 HIS A 67 21.076 46.013 0.556 1.00 0.00 ATOM 514 O HIS A 67 27.165 45.654 2.383 1.00 0.00 ATOM 515 C HIS A 67 26.826 44.973 1.427 1.00 0.00 ATOM 516 N TYR A 68 27.565 43.949 0.989 1.00 0.00 ATOM 517 CA TYR A 68 28.822 43.521 1.650 1.00 0.00 ATOM 518 CB TYR A 68 28.565 42.394 2.667 1.00 0.00 ATOM 519 CG TYR A 68 27.603 42.809 3.744 1.00 0.00 ATOM 520 CD1 TYR A 68 28.018 43.631 4.787 1.00 0.00 ATOM 521 CD2 TYR A 68 26.266 42.408 3.708 1.00 0.00 ATOM 522 CE1 TYR A 68 27.125 44.061 5.765 1.00 0.00 ATOM 523 CE2 TYR A 68 25.366 42.839 4.678 1.00 0.00 ATOM 524 CZ TYR A 68 25.807 43.654 5.699 1.00 0.00 ATOM 525 OH TYR A 68 24.928 44.077 6.693 1.00 0.00 ATOM 526 O TYR A 68 29.991 41.859 0.429 1.00 0.00 ATOM 527 C TYR A 68 29.760 43.048 0.560 1.00 0.00 ATOM 528 N PRO A 69 30.276 43.965 -0.276 1.00 0.00 ATOM 529 CA PRO A 69 30.985 43.543 -1.489 1.00 0.00 ATOM 530 CB PRO A 69 31.249 44.865 -2.251 1.00 0.00 ATOM 531 CG PRO A 69 30.433 45.879 -1.570 1.00 0.00 ATOM 532 CD PRO A 69 30.128 45.432 -0.189 1.00 0.00 ATOM 533 O PRO A 69 32.817 42.221 -2.194 1.00 0.00 ATOM 534 C PRO A 69 32.285 42.794 -1.244 1.00 0.00 ATOM 535 N PHE A 70 32.785 42.829 -0.005 1.00 0.00 ATOM 536 CA PHE A 70 33.963 42.036 0.344 1.00 0.00 ATOM 537 CB PHE A 70 34.636 42.583 1.597 1.00 0.00 ATOM 538 CG PHE A 70 33.664 42.907 2.701 1.00 0.00 ATOM 539 CD1 PHE A 70 33.225 41.912 3.565 1.00 0.00 ATOM 540 CD2 PHE A 70 33.186 44.214 2.870 1.00 0.00 ATOM 541 CE1 PHE A 70 32.325 42.213 4.575 1.00 0.00 ATOM 542 CE2 PHE A 70 32.275 44.508 3.871 1.00 0.00 ATOM 543 CZ PHE A 70 31.850 43.505 4.730 1.00 0.00 ATOM 544 O PHE A 70 34.575 39.744 0.614 1.00 0.00 ATOM 545 C PHE A 70 33.640 40.552 0.522 1.00 0.00 ATOM 546 N ILE A 71 32.352 40.186 0.604 1.00 0.00 ATOM 547 CA ILE A 71 31.931 38.761 0.632 1.00 0.00 ATOM 548 CB ILE A 71 30.609 38.599 1.401 1.00 0.00 ATOM 549 CG1 ILE A 71 30.830 39.038 2.860 1.00 0.00 ATOM 550 CG2 ILE A 71 30.106 37.146 1.342 1.00 0.00 ATOM 551 CD1 ILE A 71 29.584 39.065 3.745 1.00 0.00 ATOM 552 O ILE A 71 30.815 38.576 -1.510 1.00 0.00 ATOM 553 C ILE A 71 31.827 38.297 -0.817 1.00 0.00 ATOM 554 N GLN A 72 32.921 37.682 -1.281 1.00 0.00 ATOM 555 CA GLN A 72 33.107 37.325 -2.689 1.00 0.00 ATOM 556 CB GLN A 72 34.416 37.934 -3.205 1.00 0.00 ATOM 557 CG GLN A 72 34.245 39.452 -3.393 1.00 0.00 ATOM 558 CD GLN A 72 35.527 40.194 -3.666 1.00 0.00 ATOM 559 OE1 GLN A 72 36.535 39.606 -4.069 1.00 0.00 ATOM 560 NE2 GLN A 72 35.494 41.510 -3.442 1.00 0.00 ATOM 561 O GLN A 72 33.230 35.369 -4.049 1.00 0.00 ATOM 562 C GLN A 72 33.035 35.827 -2.932 1.00 0.00 ATOM 563 N SER A 73 32.764 35.069 -1.871 1.00 0.00 ATOM 564 CA SER A 73 32.461 33.646 -1.976 1.00 0.00 ATOM 565 CB SER A 73 33.759 32.799 -1.905 1.00 0.00 ATOM 566 OG SER A 73 34.384 32.812 -0.608 1.00 0.00 ATOM 567 O SER A 73 31.602 33.995 0.235 1.00 0.00 ATOM 568 C SER A 73 31.605 33.296 -0.782 1.00 0.00 ATOM 569 N PHE A 74 30.848 32.211 -0.918 1.00 0.00 ATOM 570 CA PHE A 74 30.162 31.693 0.264 1.00 0.00 ATOM 571 CB PHE A 74 28.849 32.489 0.576 1.00 0.00 ATOM 572 CG PHE A 74 27.842 32.543 -0.536 1.00 0.00 ATOM 573 CD1 PHE A 74 26.906 31.535 -0.717 1.00 0.00 ATOM 574 CD2 PHE A 74 27.763 33.657 -1.341 1.00 0.00 ATOM 575 CE1 PHE A 74 25.941 31.600 -1.739 1.00 0.00 ATOM 576 CE2 PHE A 74 26.788 33.748 -2.349 1.00 0.00 ATOM 577 CZ PHE A 74 25.881 32.708 -2.545 1.00 0.00 ATOM 578 O PHE A 74 29.735 29.748 -1.044 1.00 0.00 ATOM 579 C PHE A 74 29.850 30.228 0.101 1.00 0.00 ATOM 580 N SER A 75 29.720 29.525 1.228 1.00 0.00 ATOM 581 CA SER A 75 29.244 28.145 1.257 1.00 0.00 ATOM 582 CB SER A 75 29.992 27.372 2.350 1.00 0.00 ATOM 583 OG SER A 75 31.416 27.477 2.138 1.00 0.00 ATOM 584 O SER A 75 27.341 28.896 2.463 1.00 0.00 ATOM 585 C SER A 75 27.765 28.152 1.566 1.00 0.00 ATOM 586 N LEU A 76 26.991 27.337 0.855 1.00 0.00 ATOM 587 CA LEU A 76 25.549 27.220 1.141 1.00 0.00 ATOM 588 CB LEU A 76 24.717 28.009 0.125 1.00 0.00 ATOM 589 CG LEU A 76 23.200 27.982 0.369 1.00 0.00 ATOM 590 CD1 LEU A 76 22.841 28.706 1.695 1.00 0.00 ATOM 591 CD2 LEU A 76 22.460 28.623 -0.825 1.00 0.00 ATOM 592 O LEU A 76 25.402 25.107 0.043 1.00 0.00 ATOM 593 C LEU A 76 25.211 25.749 1.084 1.00 0.00 ATOM 594 N LEU A 77 24.766 25.210 2.213 1.00 0.00 ATOM 595 CA LEU A 77 24.507 23.769 2.277 1.00 0.00 ATOM 596 CB LEU A 77 25.757 23.038 2.780 1.00 0.00 ATOM 597 CG LEU A 77 26.212 23.495 4.163 1.00 0.00 ATOM 598 CD1 LEU A 77 25.887 22.495 5.251 1.00 0.00 ATOM 599 CD2 LEU A 77 27.726 23.702 4.162 1.00 0.00 ATOM 600 O LEU A 77 22.966 24.233 4.054 1.00 0.00 ATOM 601 C LEU A 77 23.307 23.475 3.146 1.00 0.00 ATOM 602 N SER A 78 22.648 22.363 2.859 1.00 0.00 ATOM 603 CA SER A 78 21.430 22.041 3.579 1.00 0.00 ATOM 604 CB SER A 78 20.460 21.373 2.628 1.00 0.00 ATOM 605 OG SER A 78 20.994 20.113 2.243 1.00 0.00 ATOM 606 O SER A 78 22.721 20.440 4.870 1.00 0.00 ATOM 607 C SER A 78 21.674 21.107 4.773 1.00 0.00 ATOM 608 N LEU A 79 20.660 20.965 5.626 1.00 0.00 ATOM 609 CA LEU A 79 20.712 19.983 6.698 1.00 0.00 ATOM 610 CB LEU A 79 19.383 20.001 7.485 1.00 0.00 ATOM 611 CG LEU A 79 19.179 18.854 8.474 1.00 0.00 ATOM 612 CD1 LEU A 79 20.202 18.879 9.574 1.00 0.00 ATOM 613 CD2 LEU A 79 17.761 18.920 9.057 1.00 0.00 ATOM 614 O LEU A 79 21.783 17.834 6.680 1.00 0.00 ATOM 615 C LEU A 79 20.961 18.589 6.139 1.00 0.00 ATOM 616 N GLU A 80 20.256 18.251 5.059 1.00 0.00 ATOM 617 CA GLU A 80 20.404 16.941 4.425 1.00 0.00 ATOM 618 CB GLU A 80 19.438 16.818 3.252 1.00 0.00 ATOM 619 CG GLU A 80 19.544 15.548 2.436 1.00 0.00 ATOM 620 CD GLU A 80 18.382 15.365 1.463 1.00 0.00 ATOM 621 OE1 GLU A 80 17.333 16.043 1.606 1.00 0.00 ATOM 622 OE2 GLU A 80 18.505 14.504 0.556 1.00 0.00 ATOM 623 O GLU A 80 22.423 15.651 4.147 1.00 0.00 ATOM 624 C GLU A 80 21.839 16.732 3.953 1.00 0.00 ATOM 625 N ASP A 81 22.420 17.764 3.343 1.00 0.00 ATOM 626 CA ASP A 81 23.832 17.684 2.947 1.00 0.00 ATOM 627 CB ASP A 81 24.326 19.033 2.411 1.00 0.00 ATOM 628 CG ASP A 81 23.711 19.443 1.076 1.00 0.00 ATOM 629 OD1 ASP A 81 23.186 18.578 0.345 1.00 0.00 ATOM 630 OD2 ASP A 81 23.814 20.663 0.741 1.00 0.00 ATOM 631 O ASP A 81 25.662 16.555 4.090 1.00 0.00 ATOM 632 C ASP A 81 24.730 17.378 4.156 1.00 0.00 ATOM 633 N PHE A 82 24.512 18.120 5.244 1.00 0.00 ATOM 634 CA PHE A 82 25.362 17.959 6.417 1.00 0.00 ATOM 635 CB PHE A 82 25.113 19.076 7.437 1.00 0.00 ATOM 636 CG PHE A 82 26.282 19.317 8.347 1.00 0.00 ATOM 637 CD1 PHE A 82 27.320 20.129 7.926 1.00 0.00 ATOM 638 CD2 PHE A 82 26.368 18.708 9.584 1.00 0.00 ATOM 639 CE1 PHE A 82 28.436 20.346 8.740 1.00 0.00 ATOM 640 CE2 PHE A 82 27.493 18.934 10.416 1.00 0.00 ATOM 641 CZ PHE A 82 28.498 19.755 9.988 1.00 0.00 ATOM 642 O PHE A 82 26.191 15.943 7.422 1.00 0.00 ATOM 643 C PHE A 82 25.202 16.590 7.060 1.00 0.00 ATOM 644 N GLU A 83 23.964 16.124 7.167 1.00 0.00 ATOM 645 CA GLU A 83 23.741 14.786 7.716 1.00 0.00 ATOM 646 CB GLU A 83 22.247 14.503 7.849 1.00 0.00 ATOM 647 CG GLU A 83 21.600 15.389 8.883 1.00 0.00 ATOM 648 CD GLU A 83 20.120 15.120 9.072 1.00 0.00 ATOM 649 OE1 GLU A 83 19.430 14.821 8.073 1.00 0.00 ATOM 650 OE2 GLU A 83 19.653 15.227 10.222 1.00 0.00 ATOM 651 O GLU A 83 24.949 12.729 7.426 1.00 0.00 ATOM 652 C GLU A 83 24.425 13.705 6.870 1.00 0.00 ATOM 653 N ALA A 84 24.444 13.870 5.546 1.00 0.00 ATOM 654 CA ALA A 84 25.137 12.913 4.683 1.00 0.00 ATOM 655 CB ALA A 84 24.876 13.215 3.199 1.00 0.00 ATOM 656 O ALA A 84 27.286 11.866 5.079 1.00 0.00 ATOM 657 C ALA A 84 26.637 12.927 4.996 1.00 0.00 ATOM 658 N GLU A 85 27.198 14.117 5.171 1.00 0.00 ATOM 659 CA GLU A 85 28.622 14.223 5.518 1.00 0.00 ATOM 660 CB GLU A 85 29.037 15.688 5.581 1.00 0.00 ATOM 661 CG GLU A 85 30.553 15.910 5.640 1.00 0.00 ATOM 662 CD GLU A 85 31.218 15.857 4.290 1.00 0.00 ATOM 663 OE1 GLU A 85 31.431 16.935 3.729 1.00 0.00 ATOM 664 OE2 GLU A 85 31.568 14.775 3.800 1.00 0.00 ATOM 665 O GLU A 85 29.954 12.873 6.997 1.00 0.00 ATOM 666 C GLU A 85 28.924 13.539 6.854 1.00 0.00 ATOM 667 N LEU A 86 27.993 13.643 7.807 1.00 0.00 ATOM 668 CA LEU A 86 28.181 13.072 9.148 1.00 0.00 ATOM 669 CB LEU A 86 27.136 13.605 10.146 1.00 0.00 ATOM 670 CG LEU A 86 27.280 15.061 10.615 1.00 0.00 ATOM 671 CD1 LEU A 86 26.136 15.464 11.560 1.00 0.00 ATOM 672 CD2 LEU A 86 28.656 15.368 11.245 1.00 0.00 ATOM 673 O LEU A 86 28.607 10.910 10.106 1.00 0.00 ATOM 674 C LEU A 86 28.183 11.546 9.127 1.00 0.00 ATOM 675 N GLU A 87 27.747 10.952 8.014 1.00 0.00 ATOM 676 CA GLU A 87 27.773 9.492 7.872 1.00 0.00 ATOM 677 CB GLU A 87 26.607 9.015 7.005 1.00 0.00 ATOM 678 CG GLU A 87 25.239 9.252 7.666 1.00 0.00 ATOM 679 CD GLU A 87 25.074 8.509 8.996 1.00 0.00 ATOM 680 OE1 GLU A 87 25.132 7.252 8.998 1.00 0.00 ATOM 681 OE2 GLU A 87 24.867 9.187 10.040 1.00 0.00 ATOM 682 O GLU A 87 29.287 7.738 7.271 1.00 0.00 ATOM 683 C GLU A 87 29.089 8.963 7.333 1.00 0.00 ATOM 684 N ASN A 88 29.995 9.868 6.957 1.00 0.00 ATOM 685 CA ASN A 88 31.302 9.440 6.453 1.00 0.00 ATOM 686 CB ASN A 88 31.366 9.464 4.925 1.00 0.00 ATOM 687 CG ASN A 88 32.586 8.711 4.376 1.00 0.00 ATOM 688 ND2 ASN A 88 33.093 9.152 3.221 1.00 0.00 ATOM 689 OD1 ASN A 88 33.051 7.733 4.977 1.00 0.00 ATOM 690 O ASN A 88 33.251 10.856 6.277 1.00 0.00 ATOM 691 C ASN A 88 32.426 10.291 7.017 1.00 0.00 ATOM 692 N LEU A 89 32.448 10.409 8.331 1.00 0.00 ATOM 693 CA LEU A 89 33.516 11.131 9.009 1.00 0.00 ATOM 694 CB LEU A 89 33.086 11.496 10.433 1.00 0.00 ATOM 695 CG LEU A 89 31.872 12.417 10.563 1.00 0.00 ATOM 696 CD1 LEU A 89 31.540 12.554 12.031 1.00 0.00 ATOM 697 CD2 LEU A 89 32.162 13.782 9.925 1.00 0.00 ATOM 698 O LEU A 89 34.593 9.048 9.484 1.00 0.00 ATOM 699 C LEU A 89 34.727 10.215 9.118 1.00 0.00 ATOM 700 N PRO A 90 35.926 10.743 8.849 1.00 0.00 ATOM 701 CA PRO A 90 37.132 9.921 9.069 1.00 0.00 ATOM 702 CB PRO A 90 38.274 10.874 8.697 1.00 0.00 ATOM 703 CG PRO A 90 37.646 11.868 7.768 1.00 0.00 ATOM 704 CD PRO A 90 36.242 12.060 8.277 1.00 0.00 ATOM 705 O PRO A 90 36.859 10.254 11.419 1.00 0.00 ATOM 706 C PRO A 90 37.231 9.492 10.533 1.00 0.00 ATOM 707 N ALA A 91 37.789 8.315 10.781 1.00 0.00 ATOM 708 CA ALA A 91 37.884 7.839 12.162 1.00 0.00 ATOM 709 CB ALA A 91 38.377 6.387 12.214 1.00 0.00 ATOM 710 O ALA A 91 38.549 8.993 14.176 1.00 0.00 ATOM 711 C ALA A 91 38.788 8.764 12.970 1.00 0.00 ATOM 712 N TRP A 92 39.780 9.364 12.320 1.00 0.00 ATOM 713 CA TRP A 92 40.694 10.248 13.015 1.00 0.00 ATOM 714 CB TRP A 92 42.010 10.404 12.237 1.00 0.00 ATOM 715 CG TRP A 92 41.842 10.823 10.796 1.00 0.00 ATOM 716 CD1 TRP A 92 41.885 9.992 9.704 1.00 0.00 ATOM 717 CD2 TRP A 92 41.632 12.152 10.289 1.00 0.00 ATOM 718 CE2 TRP A 92 41.553 12.043 8.877 1.00 0.00 ATOM 719 CE3 TRP A 92 41.522 13.420 10.881 1.00 0.00 ATOM 720 NE1 TRP A 92 41.704 10.726 8.541 1.00 0.00 ATOM 721 CZ2 TRP A 92 41.373 13.174 8.043 1.00 0.00 ATOM 722 CZ3 TRP A 92 41.332 14.511 10.062 1.00 0.00 ATOM 723 CH2 TRP A 92 41.275 14.381 8.659 1.00 0.00 ATOM 724 O TRP A 92 40.570 12.307 14.239 1.00 0.00 ATOM 725 C TRP A 92 40.060 11.582 13.387 1.00 0.00 ATOM 726 N TRP A 93 38.953 11.949 12.724 1.00 0.00 ATOM 727 CA TRP A 93 38.305 13.221 12.981 1.00 0.00 ATOM 728 CB TRP A 93 37.199 13.392 11.947 1.00 0.00 ATOM 729 CG TRP A 93 36.471 14.701 11.977 1.00 0.00 ATOM 730 CD1 TRP A 93 35.176 14.877 12.350 1.00 0.00 ATOM 731 CD2 TRP A 93 36.956 15.983 11.553 1.00 0.00 ATOM 732 CE2 TRP A 93 35.886 16.903 11.734 1.00 0.00 ATOM 733 CE3 TRP A 93 38.179 16.451 11.047 1.00 0.00 ATOM 734 NE1 TRP A 93 34.814 16.202 12.222 1.00 0.00 ATOM 735 CZ2 TRP A 93 36.001 18.248 11.400 1.00 0.00 ATOM 736 CZ3 TRP A 93 38.295 17.815 10.727 1.00 0.00 ATOM 737 CH2 TRP A 93 37.217 18.686 10.918 1.00 0.00 ATOM 738 O TRP A 93 37.644 14.482 14.893 1.00 0.00 ATOM 739 C TRP A 93 37.801 13.367 14.402 1.00 0.00 ATOM 740 N SER A 94 37.592 12.249 15.072 1.00 0.00 ATOM 741 CA SER A 94 37.102 12.238 16.458 1.00 0.00 ATOM 742 CB SER A 94 36.130 11.073 16.625 1.00 0.00 ATOM 743 OG SER A 94 35.040 11.243 15.734 1.00 0.00 ATOM 744 O SER A 94 37.889 12.161 18.739 1.00 0.00 ATOM 745 C SER A 94 38.193 12.169 17.542 1.00 0.00 ATOM 746 N ARG A 95 39.454 12.116 17.141 1.00 0.00 ATOM 747 CA ARG A 95 40.587 12.012 18.055 1.00 0.00 ATOM 748 CB ARG A 95 41.670 11.156 17.393 1.00 0.00 ATOM 749 CG ARG A 95 41.219 9.733 17.159 1.00 0.00 ATOM 750 CD ARG A 95 42.367 8.849 16.649 1.00 0.00 ATOM 751 NE ARG A 95 41.821 7.527 16.328 1.00 0.00 ATOM 752 CZ ARG A 95 41.857 6.943 15.126 1.00 0.00 ATOM 753 NH1 ARG A 95 42.513 7.504 14.103 1.00 0.00 ATOM 754 NH2 ARG A 95 41.247 5.786 14.950 1.00 0.00 ATOM 755 O ARG A 95 40.914 14.380 17.720 1.00 0.00 ATOM 756 C ARG A 95 41.169 13.391 18.414 1.00 0.00 ATOM 757 N ASP A 96 41.970 13.440 19.480 1.00 0.00 ATOM 758 CA ASP A 96 42.562 14.679 20.014 1.00 0.00 ATOM 759 CB ASP A 96 42.892 14.488 21.501 1.00 0.00 ATOM 760 CG ASP A 96 41.676 14.224 22.315 1.00 0.00 ATOM 761 OD1 ASP A 96 40.657 14.915 22.109 1.00 0.00 ATOM 762 OD2 ASP A 96 41.740 13.308 23.168 1.00 0.00 ATOM 763 O ASP A 96 44.873 15.352 19.884 1.00 0.00 ATOM 764 C ASP A 96 43.796 15.155 19.290 1.00 0.00 ATOM 765 N LEU A 97 43.653 15.342 17.986 1.00 0.00 ATOM 766 CA LEU A 97 44.729 15.880 17.211 1.00 0.00 ATOM 767 CB LEU A 97 44.363 15.850 15.738 1.00 0.00 ATOM 768 CG LEU A 97 44.679 14.577 14.974 1.00 0.00 ATOM 769 CD1 LEU A 97 43.832 13.428 15.480 1.00 0.00 ATOM 770 CD2 LEU A 97 44.448 14.803 13.484 1.00 0.00 ATOM 771 O LEU A 97 43.974 17.965 18.137 1.00 0.00 ATOM 772 C LEU A 97 44.929 17.307 17.656 1.00 0.00 ATOM 773 N ALA A 98 46.139 17.805 17.445 1.00 0.00 ATOM 774 CA ALA A 98 46.478 19.158 17.849 1.00 0.00 ATOM 775 CB ALA A 98 47.917 19.505 17.512 1.00 0.00 ATOM 776 O ALA A 98 45.053 21.063 17.850 1.00 0.00 ATOM 777 C ALA A 98 45.538 20.136 17.206 1.00 0.00 ATOM 778 N ARG A 99 45.278 19.954 15.914 1.00 0.00 ATOM 779 CA ARG A 99 44.381 20.855 15.183 1.00 0.00 ATOM 780 CB ARG A 99 45.200 21.898 14.465 1.00 0.00 ATOM 781 CG ARG A 99 46.056 22.684 15.430 1.00 0.00 ATOM 782 CD ARG A 99 46.276 24.075 14.966 1.00 0.00 ATOM 783 NE ARG A 99 47.437 24.669 15.614 1.00 0.00 ATOM 784 CZ ARG A 99 47.987 25.808 15.219 1.00 0.00 ATOM 785 NH1 ARG A 99 47.444 26.472 14.197 1.00 0.00 ATOM 786 NH2 ARG A 99 49.052 26.280 15.844 1.00 0.00 ATOM 787 O ARG A 99 44.056 19.208 13.467 1.00 0.00 ATOM 788 C ARG A 99 43.540 20.082 14.171 1.00 0.00 ATOM 789 N LYS A 100 42.252 20.395 14.089 1.00 0.00 ATOM 790 CA LYS A 100 41.359 19.817 13.095 1.00 0.00 ATOM 791 CB LYS A 100 40.432 18.781 13.714 1.00 0.00 ATOM 792 CG LYS A 100 41.160 17.598 14.316 1.00 0.00 ATOM 793 CD LYS A 100 40.175 16.615 14.871 1.00 0.00 ATOM 794 CE LYS A 100 39.610 17.109 16.175 1.00 0.00 ATOM 795 NZ LYS A 100 38.787 16.089 16.889 1.00 0.00 ATOM 796 O LYS A 100 39.919 21.687 13.210 1.00 0.00 ATOM 797 C LYS A 100 40.553 20.926 12.467 1.00 0.00 ATOM 798 N ASP A 101 40.597 21.016 11.147 1.00 0.00 ATOM 799 CA ASP A 101 39.877 22.022 10.401 1.00 0.00 ATOM 800 CB ASP A 101 40.883 23.015 9.835 1.00 0.00 ATOM 801 CG ASP A 101 41.653 23.712 10.941 1.00 0.00 ATOM 802 OD1 ASP A 101 40.993 24.466 11.699 1.00 0.00 ATOM 803 OD2 ASP A 101 42.889 23.464 11.111 1.00 0.00 ATOM 804 O ASP A 101 39.514 20.352 8.721 1.00 0.00 ATOM 805 C ASP A 101 39.101 21.385 9.283 1.00 0.00 ATOM 806 N PHE A 102 37.981 22.014 8.943 1.00 0.00 ATOM 807 CA PHE A 102 37.190 21.603 7.797 1.00 0.00 ATOM 808 CB PHE A 102 35.745 21.246 8.159 1.00 0.00 ATOM 809 CG PHE A 102 35.031 20.500 7.064 1.00 0.00 ATOM 810 CD1 PHE A 102 35.302 19.145 6.865 1.00 0.00 ATOM 811 CD2 PHE A 102 34.129 21.139 6.203 1.00 0.00 ATOM 812 CE1 PHE A 102 34.662 18.429 5.867 1.00 0.00 ATOM 813 CE2 PHE A 102 33.493 20.418 5.177 1.00 0.00 ATOM 814 CZ PHE A 102 33.755 19.069 4.995 1.00 0.00 ATOM 815 O PHE A 102 36.887 23.904 7.191 1.00 0.00 ATOM 816 C PHE A 102 37.215 22.763 6.817 1.00 0.00 ATOM 817 N LEU A 103 37.606 22.475 5.580 1.00 0.00 ATOM 818 CA LEU A 103 37.628 23.495 4.528 1.00 0.00 ATOM 819 CB LEU A 103 38.858 23.289 3.627 1.00 0.00 ATOM 820 CG LEU A 103 40.208 23.594 4.265 1.00 0.00 ATOM 821 CD1 LEU A 103 40.595 22.682 5.423 1.00 0.00 ATOM 822 CD2 LEU A 103 41.315 23.444 3.202 1.00 0.00 ATOM 823 O LEU A 103 36.299 22.423 2.840 1.00 0.00 ATOM 824 C LEU A 103 36.365 23.313 3.707 1.00 0.00 ATOM 825 N PHE A 104 35.342 24.147 3.961 1.00 0.00 ATOM 826 CA PHE A 104 34.089 24.002 3.232 1.00 0.00 ATOM 827 CB PHE A 104 32.958 24.808 3.919 1.00 0.00 ATOM 828 CG PHE A 104 32.415 24.196 5.176 1.00 0.00 ATOM 829 CD1 PHE A 104 31.349 23.309 5.092 1.00 0.00 ATOM 830 CD2 PHE A 104 32.864 24.597 6.438 1.00 0.00 ATOM 831 CE1 PHE A 104 30.804 22.752 6.251 1.00 0.00 ATOM 832 CE2 PHE A 104 32.302 24.042 7.601 1.00 0.00 ATOM 833 CZ PHE A 104 31.269 23.145 7.489 1.00 0.00 ATOM 834 O PHE A 104 34.691 25.684 1.610 1.00 0.00 ATOM 835 C PHE A 104 34.219 24.547 1.810 1.00 0.00 ATOM 836 N TYR A 105 33.765 23.775 0.835 1.00 0.00 ATOM 837 CA TYR A 105 33.690 24.261 -0.531 1.00 0.00 ATOM 838 CB TYR A 105 33.292 23.119 -1.455 1.00 0.00 ATOM 839 CG TYR A 105 34.270 21.955 -1.492 1.00 0.00 ATOM 840 CD1 TYR A 105 35.653 22.153 -1.409 1.00 0.00 ATOM 841 CD2 TYR A 105 33.788 20.675 -1.694 1.00 0.00 ATOM 842 CE1 TYR A 105 36.531 21.047 -1.524 1.00 0.00 ATOM 843 CE2 TYR A 105 34.673 19.584 -1.754 1.00 0.00 ATOM 844 CZ TYR A 105 36.016 19.795 -1.699 1.00 0.00 ATOM 845 OH TYR A 105 36.895 18.722 -1.786 1.00 0.00 ATOM 846 O TYR A 105 31.758 25.502 0.236 1.00 0.00 ATOM 847 C TYR A 105 32.664 25.384 -0.615 1.00 0.00 ATOM 848 N THR A 106 32.814 26.233 -1.631 1.00 0.00 ATOM 849 CA THR A 106 31.886 27.355 -1.836 1.00 0.00 ATOM 850 CB THR A 106 32.633 28.693 -1.889 1.00 0.00 ATOM 851 CG2 THR A 106 33.273 29.069 -0.534 1.00 0.00 ATOM 852 OG1 THR A 106 33.637 28.628 -2.905 1.00 0.00 ATOM 853 O THR A 106 31.501 26.377 -4.021 1.00 0.00 ATOM 854 C THR A 106 31.129 27.171 -3.141 1.00 0.00 ATOM 855 N GLU A 107 30.064 27.945 -3.294 1.00 0.00 ATOM 856 CA GLU A 107 29.285 27.878 -4.523 1.00 0.00 ATOM 857 CB GLU A 107 28.050 28.762 -4.412 1.00 0.00 ATOM 858 CG GLU A 107 27.021 28.199 -3.472 1.00 0.00 ATOM 859 CD GLU A 107 26.502 26.838 -3.950 1.00 0.00 ATOM 860 OE1 GLU A 107 26.068 26.733 -5.127 1.00 0.00 ATOM 861 OE2 GLU A 107 26.541 25.859 -3.155 1.00 0.00 ATOM 862 O GLU A 107 30.804 29.303 -5.689 1.00 0.00 ATOM 863 C GLU A 107 30.085 28.296 -5.728 1.00 0.00 ATOM 864 N GLY A 108 30.005 27.468 -6.759 1.00 0.00 ATOM 865 CA GLY A 108 30.743 27.725 -7.990 1.00 0.00 ATOM 866 O GLY A 108 32.863 27.351 -9.029 1.00 0.00 ATOM 867 C GLY A 108 32.172 27.223 -8.015 1.00 0.00 ATOM 868 N LEU A 109 32.649 26.651 -6.923 1.00 0.00 ATOM 869 CA LEU A 109 34.050 26.226 -6.854 1.00 0.00 ATOM 870 CB LEU A 109 34.346 25.811 -5.410 1.00 0.00 ATOM 871 CG LEU A 109 35.791 25.408 -5.117 1.00 0.00 ATOM 872 CD1 LEU A 109 36.723 26.582 -5.276 1.00 0.00 ATOM 873 CD2 LEU A 109 35.865 24.926 -3.692 1.00 0.00 ATOM 874 O LEU A 109 33.504 24.121 -7.887 1.00 0.00 ATOM 875 C LEU A 109 34.315 25.055 -7.798 1.00 0.00 ATOM 876 N ASP A 110 35.460 25.094 -8.492 1.00 0.00 ATOM 877 CA ASP A 110 35.906 23.974 -9.327 1.00 0.00 ATOM 878 CB ASP A 110 36.895 24.480 -10.390 1.00 0.00 ATOM 879 CG ASP A 110 37.307 23.404 -11.377 1.00 0.00 ATOM 880 OD1 ASP A 110 37.133 22.189 -11.109 1.00 0.00 ATOM 881 OD2 ASP A 110 37.856 23.805 -12.417 1.00 0.00 ATOM 882 O ASP A 110 37.742 22.960 -8.171 1.00 0.00 ATOM 883 C ASP A 110 36.554 22.944 -8.411 1.00 0.00 ATOM 884 N VAL A 111 35.724 22.089 -7.837 1.00 0.00 ATOM 885 CA VAL A 111 36.203 21.155 -6.838 1.00 0.00 ATOM 886 CB VAL A 111 35.017 20.384 -6.196 1.00 0.00 ATOM 887 CG1 VAL A 111 35.509 19.223 -5.332 1.00 0.00 ATOM 888 CG2 VAL A 111 34.143 21.376 -5.394 1.00 0.00 ATOM 889 O VAL A 111 38.211 19.857 -6.697 1.00 0.00 ATOM 890 C VAL A 111 37.255 20.205 -7.378 1.00 0.00 ATOM 891 N ASP A 112 37.089 19.765 -8.621 1.00 0.00 ATOM 892 CA ASP A 112 38.076 18.834 -9.132 1.00 0.00 ATOM 893 CB ASP A 112 37.640 18.234 -10.482 1.00 0.00 ATOM 894 CG ASP A 112 36.522 17.173 -10.332 1.00 0.00 ATOM 895 OD1 ASP A 112 36.306 16.654 -9.215 1.00 0.00 ATOM 896 OD2 ASP A 112 35.906 16.821 -11.360 1.00 0.00 ATOM 897 O ASP A 112 40.495 18.830 -8.999 1.00 0.00 ATOM 898 C ASP A 112 39.464 19.491 -9.210 1.00 0.00 ATOM 899 N GLN A 113 39.485 20.779 -9.543 1.00 0.00 ATOM 900 CA GLN A 113 40.781 21.437 -9.590 1.00 0.00 ATOM 901 CB GLN A 113 40.650 22.736 -10.396 1.00 0.00 ATOM 902 CG GLN A 113 41.974 23.545 -10.417 1.00 0.00 ATOM 903 CD GLN A 113 43.075 22.783 -11.114 1.00 0.00 ATOM 904 OE1 GLN A 113 42.894 22.324 -12.228 1.00 0.00 ATOM 905 NE2 GLN A 113 44.203 22.627 -10.462 1.00 0.00 ATOM 906 O GLN A 113 42.564 21.542 -7.989 1.00 0.00 ATOM 907 C GLN A 113 41.357 21.657 -8.194 1.00 0.00 ATOM 908 N VAL A 114 40.493 21.962 -7.223 1.00 0.00 ATOM 909 CA VAL A 114 40.951 22.051 -5.820 1.00 0.00 ATOM 910 CB VAL A 114 39.783 22.408 -4.883 1.00 0.00 ATOM 911 CG1 VAL A 114 40.191 22.279 -3.408 1.00 0.00 ATOM 912 CG2 VAL A 114 39.305 23.809 -5.176 1.00 0.00 ATOM 913 O VAL A 114 42.658 20.703 -4.825 1.00 0.00 ATOM 914 C VAL A 114 41.577 20.730 -5.397 1.00 0.00 ATOM 915 N ILE A 115 40.915 19.615 -5.718 1.00 0.00 ATOM 916 CA ILE A 115 41.444 18.312 -5.313 1.00 0.00 ATOM 917 CB ILE A 115 40.455 17.194 -5.701 1.00 0.00 ATOM 918 CG1 ILE A 115 39.217 17.305 -4.809 1.00 0.00 ATOM 919 CG2 ILE A 115 41.124 15.806 -5.581 1.00 0.00 ATOM 920 CD1 ILE A 115 38.093 16.420 -5.241 1.00 0.00 ATOM 921 O ILE A 115 43.755 17.657 -5.333 1.00 0.00 ATOM 922 C ILE A 115 42.805 18.096 -5.984 1.00 0.00 ATOM 923 N ALA A 116 42.927 18.422 -7.285 1.00 0.00 ATOM 924 CA ALA A 116 44.228 18.251 -7.940 1.00 0.00 ATOM 925 CB ALA A 116 44.116 18.575 -9.439 1.00 0.00 ATOM 926 O ALA A 116 46.442 18.659 -7.083 1.00 0.00 ATOM 927 C ALA A 116 45.307 19.114 -7.301 1.00 0.00 ATOM 928 N THR A 117 44.963 20.352 -6.974 1.00 0.00 ATOM 929 CA THR A 117 45.945 21.232 -6.325 1.00 0.00 ATOM 930 CB THR A 117 45.347 22.624 -6.201 1.00 0.00 ATOM 931 CG2 THR A 117 46.317 23.567 -5.452 1.00 0.00 ATOM 932 OG1 THR A 117 45.173 23.146 -7.530 1.00 0.00 ATOM 933 O THR A 117 47.553 20.587 -4.625 1.00 0.00 ATOM 934 C THR A 117 46.364 20.646 -4.953 1.00 0.00 ATOM 935 N VAL A 118 45.380 20.233 -4.159 1.00 0.00 ATOM 936 CA VAL A 118 45.713 19.708 -2.837 1.00 0.00 ATOM 937 CB VAL A 118 44.448 19.487 -2.023 1.00 0.00 ATOM 938 CG1 VAL A 118 44.748 18.745 -0.727 1.00 0.00 ATOM 939 CG2 VAL A 118 43.780 20.832 -1.646 1.00 0.00 ATOM 940 O VAL A 118 47.487 18.246 -2.195 1.00 0.00 ATOM 941 C VAL A 118 46.537 18.431 -2.956 1.00 0.00 ATOM 942 N GLU A 119 46.185 17.549 -3.895 1.00 0.00 ATOM 943 CA GLU A 119 46.949 16.297 -4.057 1.00 0.00 ATOM 944 CB GLU A 119 46.258 15.377 -5.054 1.00 0.00 ATOM 945 CG GLU A 119 44.988 14.795 -4.502 1.00 0.00 ATOM 946 CD GLU A 119 44.216 13.945 -5.501 1.00 0.00 ATOM 947 OE1 GLU A 119 44.328 14.184 -6.728 1.00 0.00 ATOM 948 OE2 GLU A 119 43.436 13.086 -5.046 1.00 0.00 ATOM 949 O GLU A 119 49.211 15.645 -4.278 1.00 0.00 ATOM 950 C GLU A 119 48.376 16.542 -4.477 1.00 0.00 ATOM 951 N SER A 120 48.686 17.704 -5.068 1.00 0.00 ATOM 952 CA SER A 120 50.053 18.036 -5.464 1.00 0.00 ATOM 953 CB SER A 120 50.056 19.168 -6.518 1.00 0.00 ATOM 954 OG SER A 120 49.818 20.427 -5.906 1.00 0.00 ATOM 955 O SER A 120 52.159 18.467 -4.417 1.00 0.00 ATOM 956 C SER A 120 50.933 18.427 -4.265 1.00 0.00 ATOM 957 N LEU A 121 50.331 18.727 -3.112 1.00 0.00 ATOM 958 CA LEU A 121 51.120 19.174 -1.954 1.00 0.00 ATOM 959 CB LEU A 121 50.230 19.942 -0.982 1.00 0.00 ATOM 960 CG LEU A 121 49.447 21.127 -1.537 1.00 0.00 ATOM 961 CD1 LEU A 121 48.544 21.711 -0.448 1.00 0.00 ATOM 962 CD2 LEU A 121 50.395 22.174 -2.047 1.00 0.00 ATOM 963 O LEU A 121 51.125 16.959 -1.054 1.00 0.00 ATOM 964 C LEU A 121 51.758 17.992 -1.225 1.00 0.00 ATOM 965 N GLU A 122 53.002 18.146 -0.791 1.00 0.00 ATOM 966 CA GLU A 122 53.631 17.074 -0.041 1.00 0.00 ATOM 967 CB GLU A 122 55.147 17.117 -0.201 1.00 0.00 ATOM 968 CG GLU A 122 55.803 15.834 0.379 1.00 0.00 ATOM 969 CD GLU A 122 57.320 15.868 0.478 1.00 0.00 ATOM 970 OE1 GLU A 122 57.952 16.882 0.113 1.00 0.00 ATOM 971 OE2 GLU A 122 57.894 14.853 0.921 1.00 0.00 ATOM 972 O GLU A 122 53.743 18.084 2.147 1.00 0.00 ATOM 973 C GLU A 122 53.266 17.192 1.442 1.00 0.00 ATOM 974 N LEU A 123 52.399 16.297 1.881 1.00 0.00 ATOM 975 CA LEU A 123 51.949 16.311 3.269 1.00 0.00 ATOM 976 CB LEU A 123 50.708 15.439 3.420 1.00 0.00 ATOM 977 CG LEU A 123 49.532 15.792 2.502 1.00 0.00 ATOM 978 CD1 LEU A 123 48.344 14.906 2.825 1.00 0.00 ATOM 979 CD2 LEU A 123 49.158 17.294 2.601 1.00 0.00 ATOM 980 O LEU A 123 53.836 14.913 3.822 1.00 0.00 ATOM 981 C LEU A 123 53.026 15.781 4.187 1.00 0.00 ATOM 982 N LYS A 124 53.033 16.315 5.399 1.00 0.00 ATOM 983 CA LYS A 124 53.961 15.884 6.439 1.00 0.00 ATOM 984 CB LYS A 124 54.919 17.011 6.790 1.00 0.00 ATOM 985 CG LYS A 124 55.869 17.403 5.627 1.00 0.00 ATOM 986 CD LYS A 124 56.879 16.275 5.357 1.00 0.00 ATOM 987 CE LYS A 124 58.003 16.663 4.439 1.00 0.00 ATOM 988 NZ LYS A 124 59.075 15.623 4.508 1.00 0.00 ATOM 989 O LYS A 124 52.447 14.365 7.505 1.00 0.00 ATOM 990 C LYS A 124 53.134 15.397 7.644 1.00 0.00 ATOM 991 N ASP A 125 53.147 16.077 8.790 1.00 0.00 ATOM 992 CA ASP A 125 52.562 15.457 9.995 1.00 0.00 ATOM 993 CB ASP A 125 53.335 15.885 11.235 1.00 0.00 ATOM 994 CG ASP A 125 52.980 15.040 12.460 1.00 0.00 ATOM 995 OD1 ASP A 125 52.494 13.896 12.256 1.00 0.00 ATOM 996 OD2 ASP A 125 53.179 15.544 13.583 1.00 0.00 ATOM 997 O ASP A 125 50.627 16.581 10.952 1.00 0.00 ATOM 998 C ASP A 125 51.070 15.828 10.087 1.00 0.00 ATOM 999 N GLU A 126 50.317 15.289 9.136 1.00 0.00 ATOM 1000 CA GLU A 126 48.937 15.714 8.911 1.00 0.00 ATOM 1001 CB GLU A 126 48.917 17.060 8.163 1.00 0.00 ATOM 1002 CG GLU A 126 49.448 16.952 6.745 1.00 0.00 ATOM 1003 CD GLU A 126 49.998 18.280 6.262 1.00 0.00 ATOM 1004 OE1 GLU A 126 49.198 19.258 6.225 1.00 0.00 ATOM 1005 OE2 GLU A 126 51.203 18.346 5.964 1.00 0.00 ATOM 1006 O GLU A 126 48.898 13.767 7.490 1.00 0.00 ATOM 1007 C GLU A 126 48.237 14.634 8.099 1.00 0.00 ATOM 1008 N VAL A 127 46.900 14.646 8.126 1.00 0.00 ATOM 1009 CA VAL A 127 46.082 13.786 7.268 1.00 0.00 ATOM 1010 CB VAL A 127 45.558 12.492 7.992 1.00 0.00 ATOM 1011 CG1 VAL A 127 46.638 11.434 8.123 1.00 0.00 ATOM 1012 CG2 VAL A 127 44.915 12.802 9.340 1.00 0.00 ATOM 1013 O VAL A 127 44.362 15.424 7.490 1.00 0.00 ATOM 1014 C VAL A 127 44.889 14.570 6.772 1.00 0.00 ATOM 1015 N LEU A 128 44.464 14.286 5.550 1.00 0.00 ATOM 1016 CA LEU A 128 43.294 14.961 5.019 1.00 0.00 ATOM 1017 CB LEU A 128 43.656 16.200 4.168 1.00 0.00 ATOM 1018 CG LEU A 128 44.362 15.922 2.841 1.00 0.00 ATOM 1019 CD1 LEU A 128 43.408 15.627 1.690 1.00 0.00 ATOM 1020 CD2 LEU A 128 45.267 17.123 2.462 1.00 0.00 ATOM 1021 O LEU A 128 42.902 12.922 3.798 1.00 0.00 ATOM 1022 C LEU A 128 42.421 13.959 4.286 1.00 0.00 ATOM 1023 N TYR A 129 41.142 14.272 4.184 1.00 0.00 ATOM 1024 CA TYR A 129 40.180 13.418 3.502 1.00 0.00 ATOM 1025 CB TYR A 129 39.421 12.567 4.547 1.00 0.00 ATOM 1026 CG TYR A 129 38.483 11.571 3.916 1.00 0.00 ATOM 1027 CD1 TYR A 129 38.952 10.321 3.515 1.00 0.00 ATOM 1028 CD2 TYR A 129 37.150 11.885 3.659 1.00 0.00 ATOM 1029 CE1 TYR A 129 38.092 9.383 2.896 1.00 0.00 ATOM 1030 CE2 TYR A 129 36.288 10.958 3.022 1.00 0.00 ATOM 1031 CZ TYR A 129 36.788 9.720 2.659 1.00 0.00 ATOM 1032 OH TYR A 129 35.936 8.798 2.042 1.00 0.00 ATOM 1033 O TYR A 129 38.705 15.283 3.287 1.00 0.00 ATOM 1034 C TYR A 129 39.234 14.318 2.736 1.00 0.00 ATOM 1035 N PHE A 130 39.008 13.994 1.464 1.00 0.00 ATOM 1036 CA PHE A 130 38.083 14.780 0.648 1.00 0.00 ATOM 1037 CB PHE A 130 38.456 14.602 -0.833 1.00 0.00 ATOM 1038 CG PHE A 130 39.814 15.175 -1.187 1.00 0.00 ATOM 1039 CD1 PHE A 130 39.997 16.551 -1.289 1.00 0.00 ATOM 1040 CD2 PHE A 130 40.905 14.344 -1.445 1.00 0.00 ATOM 1041 CE1 PHE A 130 41.246 17.086 -1.598 1.00 0.00 ATOM 1042 CE2 PHE A 130 42.177 14.881 -1.765 1.00 0.00 ATOM 1043 CZ PHE A 130 42.330 16.271 -1.844 1.00 0.00 ATOM 1044 O PHE A 130 36.285 13.175 0.468 1.00 0.00 ATOM 1045 C PHE A 130 36.662 14.286 0.886 1.00 0.00 ATOM 1046 N GLY A 131 35.880 15.109 1.583 1.00 0.00 ATOM 1047 CA GLY A 131 34.478 14.783 1.822 1.00 0.00 ATOM 1048 O GLY A 131 34.046 15.839 -0.274 1.00 0.00 ATOM 1049 C GLY A 131 33.579 15.349 0.739 1.00 0.00 ATOM 1050 N LYS A 132 32.271 15.292 0.933 1.00 0.00 ATOM 1051 CA LYS A 132 31.388 15.816 -0.097 1.00 0.00 ATOM 1052 CB LYS A 132 30.004 15.181 -0.036 1.00 0.00 ATOM 1053 CG LYS A 132 29.108 15.618 -1.195 1.00 0.00 ATOM 1054 CD LYS A 132 28.042 14.589 -1.542 1.00 0.00 ATOM 1055 CE LYS A 132 27.133 15.098 -2.664 1.00 0.00 ATOM 1056 NZ LYS A 132 27.887 15.519 -3.883 1.00 0.00 ATOM 1057 O LYS A 132 31.197 18.001 -1.092 1.00 0.00 ATOM 1058 C LYS A 132 31.271 17.339 -0.041 1.00 0.00 ATOM 1059 N LEU A 133 31.293 17.896 1.166 1.00 0.00 ATOM 1060 CA LEU A 133 31.106 19.338 1.348 1.00 0.00 ATOM 1061 CB LEU A 133 30.237 19.617 2.567 1.00 0.00 ATOM 1062 CG LEU A 133 28.807 19.088 2.459 1.00 0.00 ATOM 1063 CD1 LEU A 133 28.095 19.316 3.753 1.00 0.00 ATOM 1064 CD2 LEU A 133 28.066 19.803 1.324 1.00 0.00 ATOM 1065 O LEU A 133 32.409 21.323 1.548 1.00 0.00 ATOM 1066 C LEU A 133 32.415 20.097 1.487 1.00 0.00 ATOM 1067 N GLY A 134 33.530 19.383 1.542 1.00 0.00 ATOM 1068 CA GLY A 134 34.793 20.045 1.812 1.00 0.00 ATOM 1069 O GLY A 134 35.612 17.834 2.086 1.00 0.00 ATOM 1070 C GLY A 134 35.828 19.041 2.256 1.00 0.00 ATOM 1071 N ILE A 135 36.929 19.571 2.794 1.00 0.00 ATOM 1072 CA ILE A 135 38.100 18.761 3.098 1.00 0.00 ATOM 1073 CB ILE A 135 39.350 19.368 2.484 1.00 0.00 ATOM 1074 CG1 ILE A 135 39.153 19.512 0.978 1.00 0.00 ATOM 1075 CG2 ILE A 135 40.567 18.442 2.738 1.00 0.00 ATOM 1076 CD1 ILE A 135 40.274 20.318 0.324 1.00 0.00 ATOM 1077 O ILE A 135 38.405 19.756 5.266 1.00 0.00 ATOM 1078 C ILE A 135 38.290 18.704 4.608 1.00 0.00 ATOM 1079 N PHE A 136 38.343 17.487 5.173 1.00 0.00 ATOM 1080 CA PHE A 136 38.735 17.306 6.589 1.00 0.00 ATOM 1081 CB PHE A 136 38.312 15.931 7.110 1.00 0.00 ATOM 1082 CG PHE A 136 36.844 15.652 7.044 1.00 0.00 ATOM 1083 CD1 PHE A 136 36.036 15.936 8.137 1.00 0.00 ATOM 1084 CD2 PHE A 136 36.304 14.983 5.937 1.00 0.00 ATOM 1085 CE1 PHE A 136 34.666 15.642 8.104 1.00 0.00 ATOM 1086 CE2 PHE A 136 34.954 14.670 5.881 1.00 0.00 ATOM 1087 CZ PHE A 136 34.131 15.005 6.993 1.00 0.00 ATOM 1088 O PHE A 136 40.903 16.632 5.850 1.00 0.00 ATOM 1089 C PHE A 136 40.255 17.345 6.633 1.00 0.00 ATOM 1090 N TRP A 137 40.861 18.131 7.513 1.00 0.00 ATOM 1091 CA TRP A 137 42.320 18.245 7.497 1.00 0.00 ATOM 1092 CB TRP A 137 42.729 19.436 6.637 1.00 0.00 ATOM 1093 CG TRP A 137 44.163 19.441 6.138 1.00 0.00 ATOM 1094 CD1 TRP A 137 45.297 18.928 6.737 1.00 0.00 ATOM 1095 CD2 TRP A 137 44.586 20.047 4.940 1.00 0.00 ATOM 1096 CE2 TRP A 137 45.996 19.872 4.841 1.00 0.00 ATOM 1097 CE3 TRP A 137 43.908 20.715 3.912 1.00 0.00 ATOM 1098 NE1 TRP A 137 46.403 19.158 5.939 1.00 0.00 ATOM 1099 CZ2 TRP A 137 46.730 20.340 3.761 1.00 0.00 ATOM 1100 CZ3 TRP A 137 44.630 21.213 2.853 1.00 0.00 ATOM 1101 CH2 TRP A 137 46.033 21.001 2.774 1.00 0.00 ATOM 1102 O TRP A 137 42.595 19.360 9.643 1.00 0.00 ATOM 1103 C TRP A 137 42.821 18.344 8.930 1.00 0.00 ATOM 1104 N GLY A 138 43.481 17.276 9.369 1.00 0.00 ATOM 1105 CA GLY A 138 43.991 17.177 10.734 1.00 0.00 ATOM 1106 O GLY A 138 46.190 16.852 9.866 1.00 0.00 ATOM 1107 C GLY A 138 45.496 17.339 10.749 1.00 0.00 ATOM 1108 N LYS A 139 45.995 18.062 11.746 1.00 0.00 ATOM 1109 CA LYS A 139 47.433 18.228 11.964 1.00 0.00 ATOM 1110 CB LYS A 139 47.826 19.704 11.889 1.00 0.00 ATOM 1111 CG LYS A 139 47.882 20.283 10.485 1.00 0.00 ATOM 1112 CD LYS A 139 46.512 20.522 9.807 1.00 0.00 ATOM 1113 CE LYS A 139 45.556 21.407 10.575 1.00 0.00 ATOM 1114 NZ LYS A 139 44.309 21.701 9.752 1.00 0.00 ATOM 1115 O LYS A 139 47.113 18.007 14.364 1.00 0.00 ATOM 1116 C LYS A 139 47.730 17.632 13.350 1.00 0.00 ATOM 1117 N PHE A 140 48.701 16.726 13.443 1.00 0.00 ATOM 1118 CA PHE A 140 48.839 15.924 14.657 1.00 0.00 ATOM 1119 CB PHE A 140 49.603 14.632 14.346 1.00 0.00 ATOM 1120 CG PHE A 140 48.838 13.697 13.467 1.00 0.00 ATOM 1121 CD1 PHE A 140 47.706 13.041 13.962 1.00 0.00 ATOM 1122 CD2 PHE A 140 49.244 13.482 12.164 1.00 0.00 ATOM 1123 CE1 PHE A 140 46.986 12.175 13.124 1.00 0.00 ATOM 1124 CE2 PHE A 140 48.532 12.626 11.325 1.00 0.00 ATOM 1125 CZ PHE A 140 47.405 11.968 11.842 1.00 0.00 ATOM 1126 O PHE A 140 49.129 16.293 16.977 1.00 0.00 ATOM 1127 C PHE A 140 49.468 16.625 15.832 1.00 0.00 ATOM 1128 N SER A 141 50.382 17.565 15.593 1.00 0.00 ATOM 1129 CA SER A 141 51.221 18.075 16.699 1.00 0.00 ATOM 1130 CB SER A 141 52.503 17.234 16.754 1.00 0.00 ATOM 1131 OG SER A 141 53.458 17.762 17.660 1.00 0.00 ATOM 1132 O SER A 141 51.945 19.989 15.459 1.00 0.00 ATOM 1133 C SER A 141 51.577 19.535 16.548 1.00 0.00 ATOM 1134 N GLU A 142 51.520 20.272 17.650 1.00 0.00 ATOM 1135 CA GLU A 142 52.029 21.651 17.659 1.00 0.00 ATOM 1136 CB GLU A 142 51.725 22.357 18.991 1.00 0.00 ATOM 1137 CG GLU A 142 50.258 22.564 19.201 1.00 0.00 ATOM 1138 CD GLU A 142 49.612 23.557 18.228 1.00 0.00 ATOM 1139 OE1 GLU A 142 50.335 24.376 17.610 1.00 0.00 ATOM 1140 OE2 GLU A 142 48.374 23.532 18.088 1.00 0.00 ATOM 1141 O GLU A 142 53.968 22.663 16.695 1.00 0.00 ATOM 1142 C GLU A 142 53.517 21.702 17.338 1.00 0.00 ATOM 1143 N GLU A 143 54.280 20.703 17.760 1.00 0.00 ATOM 1144 CA GLU A 143 55.720 20.696 17.511 1.00 0.00 ATOM 1145 CB GLU A 143 56.389 19.494 18.195 1.00 0.00 ATOM 1146 CG GLU A 143 57.919 19.414 18.010 1.00 0.00 ATOM 1147 CD GLU A 143 58.580 18.243 18.740 1.00 0.00 ATOM 1148 OE1 GLU A 143 57.908 17.204 18.983 1.00 0.00 ATOM 1149 OE2 GLU A 143 59.792 18.355 19.062 1.00 0.00 ATOM 1150 O GLU A 143 57.023 21.270 15.585 1.00 0.00 ATOM 1151 C GLU A 143 56.039 20.675 16.022 1.00 0.00 ATOM 1152 N SER A 144 55.226 19.951 15.253 1.00 0.00 ATOM 1153 CA SER A 144 55.490 19.719 13.825 1.00 0.00 ATOM 1154 CB SER A 144 55.228 18.254 13.478 1.00 0.00 ATOM 1155 OG SER A 144 53.867 17.962 13.706 1.00 0.00 ATOM 1156 O SER A 144 54.718 20.529 11.686 1.00 0.00 ATOM 1157 C SER A 144 54.605 20.593 12.920 1.00 0.00 ATOM 1158 N TYR A 145 53.712 21.378 13.515 1.00 0.00 ATOM 1159 CA TYR A 145 52.719 22.122 12.775 1.00 0.00 ATOM 1160 CB TYR A 145 51.839 22.945 13.732 1.00 0.00 ATOM 1161 CG TYR A 145 50.813 23.740 12.995 1.00 0.00 ATOM 1162 CD1 TYR A 145 49.683 23.121 12.477 1.00 0.00 ATOM 1163 CD2 TYR A 145 51.007 25.100 12.723 1.00 0.00 ATOM 1164 CE1 TYR A 145 48.748 23.846 11.749 1.00 0.00 ATOM 1165 CE2 TYR A 145 50.067 25.830 12.013 1.00 0.00 ATOM 1166 CZ TYR A 145 48.939 25.197 11.528 1.00 0.00 ATOM 1167 OH TYR A 145 47.997 25.914 10.802 1.00 0.00 ATOM 1168 O TYR A 145 52.841 23.103 10.588 1.00 0.00 ATOM 1169 C TYR A 145 53.342 23.022 11.713 1.00 0.00 ATOM 1170 N SER A 146 54.443 23.697 12.062 1.00 0.00 ATOM 1171 CA SER A 146 54.995 24.649 11.093 1.00 0.00 ATOM 1172 CB SER A 146 56.027 25.584 11.751 1.00 0.00 ATOM 1173 OG SER A 146 57.171 24.854 12.110 1.00 0.00 ATOM 1174 O SER A 146 55.916 24.677 8.891 1.00 0.00 ATOM 1175 C SER A 146 55.616 23.971 9.883 1.00 0.00 ATOM 1176 N LYS A 147 55.785 22.643 9.927 1.00 0.00 ATOM 1177 CA LYS A 147 56.293 21.904 8.773 1.00 0.00 ATOM 1178 CB LYS A 147 57.291 20.822 9.211 1.00 0.00 ATOM 1179 CG LYS A 147 58.619 21.424 9.694 1.00 0.00 ATOM 1180 CD LYS A 147 59.592 20.331 10.099 1.00 0.00 ATOM 1181 CE LYS A 147 59.319 19.865 11.504 1.00 0.00 ATOM 1182 NZ LYS A 147 59.854 20.854 12.509 1.00 0.00 ATOM 1183 O LYS A 147 55.472 20.683 6.897 1.00 0.00 ATOM 1184 C LYS A 147 55.184 21.286 7.924 1.00 0.00 ATOM 1185 N THR A 148 53.918 21.479 8.308 1.00 0.00 ATOM 1186 CA THR A 148 52.836 20.869 7.563 1.00 0.00 ATOM 1187 CB THR A 148 51.531 20.813 8.367 1.00 0.00 ATOM 1188 CG2 THR A 148 51.673 19.918 9.595 1.00 0.00 ATOM 1189 OG1 THR A 148 51.075 22.135 8.717 1.00 0.00 ATOM 1190 O THR A 148 52.815 22.817 6.157 1.00 0.00 ATOM 1191 C THR A 148 52.554 21.607 6.267 1.00 0.00 ATOM 1192 N ALA A 149 52.023 20.884 5.299 1.00 0.00 ATOM 1193 CA ALA A 149 51.565 21.542 4.075 1.00 0.00 ATOM 1194 CB ALA A 149 51.101 20.480 3.094 1.00 0.00 ATOM 1195 O ALA A 149 50.306 23.563 3.742 1.00 0.00 ATOM 1196 C ALA A 149 50.442 22.512 4.398 1.00 0.00 ATOM 1197 N TYR A 150 49.570 22.168 5.347 1.00 0.00 ATOM 1198 CA TYR A 150 48.477 23.063 5.705 1.00 0.00 ATOM 1199 CB TYR A 150 47.705 22.493 6.909 1.00 0.00 ATOM 1200 CG TYR A 150 46.478 23.276 7.289 1.00 0.00 ATOM 1201 CD1 TYR A 150 45.275 23.038 6.653 1.00 0.00 ATOM 1202 CD2 TYR A 150 46.525 24.259 8.258 1.00 0.00 ATOM 1203 CE1 TYR A 150 44.125 23.784 6.985 1.00 0.00 ATOM 1204 CE2 TYR A 150 45.387 25.009 8.589 1.00 0.00 ATOM 1205 CZ TYR A 150 44.201 24.744 7.941 1.00 0.00 ATOM 1206 OH TYR A 150 43.059 25.456 8.247 1.00 0.00 ATOM 1207 O TYR A 150 48.555 25.473 5.545 1.00 0.00 ATOM 1208 C TYR A 150 49.046 24.437 6.057 1.00 0.00 ATOM 1209 N HIS A 151 50.053 24.485 6.911 1.00 0.00 ATOM 1210 CA HIS A 151 50.637 25.747 7.322 1.00 0.00 ATOM 1211 CB HIS A 151 51.552 25.518 8.523 1.00 0.00 ATOM 1212 CG HIS A 151 52.294 26.750 8.923 1.00 0.00 ATOM 1213 CD2 HIS A 151 53.599 27.074 8.807 1.00 0.00 ATOM 1214 ND1 HIS A 151 51.654 27.852 9.461 1.00 0.00 ATOM 1215 CE1 HIS A 151 52.558 28.795 9.688 1.00 0.00 ATOM 1216 NE2 HIS A 151 53.743 28.348 9.312 1.00 0.00 ATOM 1217 O HIS A 151 51.325 27.622 5.984 1.00 0.00 ATOM 1218 C HIS A 151 51.439 26.405 6.221 1.00 0.00 ATOM 1219 N LYS A 152 52.270 25.618 5.548 1.00 0.00 ATOM 1220 CA LYS A 152 53.230 26.201 4.627 1.00 0.00 ATOM 1221 CB LYS A 152 54.389 25.230 4.387 1.00 0.00 ATOM 1222 CG LYS A 152 55.233 24.987 5.632 1.00 0.00 ATOM 1223 CD LYS A 152 56.237 23.864 5.393 1.00 0.00 ATOM 1224 CE LYS A 152 57.177 24.192 4.240 1.00 0.00 ATOM 1225 NZ LYS A 152 58.260 23.172 4.141 1.00 0.00 ATOM 1226 O LYS A 152 53.134 27.527 2.674 1.00 0.00 ATOM 1227 C LYS A 152 52.628 26.595 3.317 1.00 0.00 ATOM 1228 N TYR A 153 51.575 25.908 2.869 1.00 0.00 ATOM 1229 CA TYR A 153 51.148 26.086 1.491 1.00 0.00 ATOM 1230 CB TYR A 153 51.316 24.776 0.669 1.00 0.00 ATOM 1231 CG TYR A 153 52.695 24.112 0.749 1.00 0.00 ATOM 1232 CD1 TYR A 153 53.879 24.836 0.648 1.00 0.00 ATOM 1233 CD2 TYR A 153 52.803 22.739 0.969 1.00 0.00 ATOM 1234 CE1 TYR A 153 55.149 24.197 0.741 1.00 0.00 ATOM 1235 CE2 TYR A 153 54.060 22.094 1.079 1.00 0.00 ATOM 1236 CZ TYR A 153 55.216 22.828 0.971 1.00 0.00 ATOM 1237 OH TYR A 153 56.443 22.180 1.061 1.00 0.00 ATOM 1238 O TYR A 153 49.432 27.050 0.155 1.00 0.00 ATOM 1239 C TYR A 153 49.753 26.640 1.284 1.00 0.00 ATOM 1240 N LEU A 154 48.898 26.666 2.302 1.00 0.00 ATOM 1241 CA LEU A 154 47.526 27.073 2.018 1.00 0.00 ATOM 1242 CB LEU A 154 46.592 26.803 3.184 1.00 0.00 ATOM 1243 CG LEU A 154 45.948 25.406 3.089 1.00 0.00 ATOM 1244 CD1 LEU A 154 45.063 25.171 4.312 1.00 0.00 ATOM 1245 CD2 LEU A 154 45.137 25.176 1.794 1.00 0.00 ATOM 1246 O LEU A 154 46.588 28.738 0.630 1.00 0.00 ATOM 1247 C LEU A 154 47.431 28.490 1.494 1.00 0.00 ATOM 1248 N LEU A 155 48.243 29.428 1.991 1.00 0.00 ATOM 1249 CA LEU A 155 48.191 30.784 1.432 1.00 0.00 ATOM 1250 CB LEU A 155 48.915 31.801 2.309 1.00 0.00 ATOM 1251 CG LEU A 155 48.248 32.098 3.652 1.00 0.00 ATOM 1252 CD1 LEU A 155 49.217 32.949 4.486 1.00 0.00 ATOM 1253 CD2 LEU A 155 46.942 32.851 3.463 1.00 0.00 ATOM 1254 O LEU A 155 48.535 31.892 -0.639 1.00 0.00 ATOM 1255 C LEU A 155 48.727 30.882 0.020 1.00 0.00 ATOM 1256 N LYS A 156 49.394 29.832 -0.443 1.00 0.00 ATOM 1257 CA LYS A 156 49.919 29.828 -1.801 1.00 0.00 ATOM 1258 CB LYS A 156 51.195 28.978 -1.873 1.00 0.00 ATOM 1259 CG LYS A 156 52.337 29.501 -1.041 1.00 0.00 ATOM 1260 CD LYS A 156 53.491 28.499 -1.075 1.00 0.00 ATOM 1261 CE LYS A 156 54.543 28.809 -0.044 1.00 0.00 ATOM 1262 NZ LYS A 156 55.321 29.972 -0.374 1.00 0.00 ATOM 1263 O LYS A 156 49.246 29.368 -4.027 1.00 0.00 ATOM 1264 C LYS A 156 48.931 29.303 -2.836 1.00 0.00 ATOM 1265 N VAL A 157 47.766 28.791 -2.428 1.00 0.00 ATOM 1266 CA VAL A 157 46.869 28.157 -3.405 1.00 0.00 ATOM 1267 CB VAL A 157 46.138 26.890 -2.862 1.00 0.00 ATOM 1268 CG1 VAL A 157 47.158 25.842 -2.449 1.00 0.00 ATOM 1269 CG2 VAL A 157 45.194 27.259 -1.714 1.00 0.00 ATOM 1270 O VAL A 157 45.383 30.056 -3.232 1.00 0.00 ATOM 1271 C VAL A 157 45.857 29.169 -3.948 1.00 0.00 ATOM 1272 N PRO A 158 45.475 29.043 -5.220 1.00 0.00 ATOM 1273 CA PRO A 158 44.516 29.947 -5.814 1.00 0.00 ATOM 1274 CB PRO A 158 44.483 29.496 -7.295 1.00 0.00 ATOM 1275 CG PRO A 158 45.706 28.783 -7.495 1.00 0.00 ATOM 1276 CD PRO A 158 46.064 28.130 -6.214 1.00 0.00 ATOM 1277 O PRO A 158 42.359 30.849 -5.364 1.00 0.00 ATOM 1278 C PRO A 158 43.117 29.894 -5.206 1.00 0.00 ATOM 1279 N PHE A 159 42.782 28.782 -4.569 1.00 0.00 ATOM 1280 CA PHE A 159 41.419 28.567 -4.085 1.00 0.00 ATOM 1281 CB PHE A 159 40.980 27.079 -4.207 1.00 0.00 ATOM 1282 CG PHE A 159 41.758 26.109 -3.330 1.00 0.00 ATOM 1283 CD1 PHE A 159 41.476 25.971 -1.977 1.00 0.00 ATOM 1284 CD2 PHE A 159 42.764 25.296 -3.877 1.00 0.00 ATOM 1285 CE1 PHE A 159 42.181 25.070 -1.167 1.00 0.00 ATOM 1286 CE2 PHE A 159 43.453 24.411 -3.092 1.00 0.00 ATOM 1287 CZ PHE A 159 43.175 24.290 -1.745 1.00 0.00 ATOM 1288 O PHE A 159 40.085 28.991 -2.184 1.00 0.00 ATOM 1289 C PHE A 159 41.188 29.073 -2.676 1.00 0.00 ATOM 1290 N TYR A 160 42.207 29.636 -2.023 1.00 0.00 ATOM 1291 CA TYR A 160 42.088 29.971 -0.625 1.00 0.00 ATOM 1292 CB TYR A 160 43.384 30.636 -0.177 1.00 0.00 ATOM 1293 CG TYR A 160 43.443 30.940 1.279 1.00 0.00 ATOM 1294 CD1 TYR A 160 43.706 29.914 2.183 1.00 0.00 ATOM 1295 CD2 TYR A 160 43.209 32.222 1.759 1.00 0.00 ATOM 1296 CE1 TYR A 160 43.747 30.133 3.516 1.00 0.00 ATOM 1297 CE2 TYR A 160 43.248 32.463 3.165 1.00 0.00 ATOM 1298 CZ TYR A 160 43.522 31.380 4.004 1.00 0.00 ATOM 1299 OH TYR A 160 43.603 31.515 5.384 1.00 0.00 ATOM 1300 O TYR A 160 40.209 30.656 0.700 1.00 0.00 ATOM 1301 C TYR A 160 40.904 30.893 -0.304 1.00 0.00 ATOM 1302 N ARG A 161 40.651 31.897 -1.125 1.00 0.00 ATOM 1303 CA ARG A 161 39.577 32.827 -0.802 1.00 0.00 ATOM 1304 CB ARG A 161 39.814 34.156 -1.506 1.00 0.00 ATOM 1305 CG ARG A 161 40.998 34.966 -0.867 1.00 0.00 ATOM 1306 CD ARG A 161 41.413 36.203 -1.676 1.00 0.00 ATOM 1307 NE ARG A 161 40.268 36.943 -2.159 1.00 0.00 ATOM 1308 CZ ARG A 161 39.622 37.888 -1.490 1.00 0.00 ATOM 1309 NH1 ARG A 161 40.055 38.291 -0.294 1.00 0.00 ATOM 1310 NH2 ARG A 161 38.552 38.469 -2.065 1.00 0.00 ATOM 1311 O ARG A 161 37.200 32.936 -1.060 1.00 0.00 ATOM 1312 C ARG A 161 38.220 32.253 -1.199 1.00 0.00 ATOM 1313 N HIS A 162 38.208 31.014 -1.690 1.00 0.00 ATOM 1314 CA HIS A 162 37.014 30.326 -2.210 1.00 0.00 ATOM 1315 CB HIS A 162 37.145 30.078 -3.708 1.00 0.00 ATOM 1316 CG HIS A 162 37.308 31.351 -4.456 1.00 0.00 ATOM 1317 CD2 HIS A 162 38.416 32.039 -4.824 1.00 0.00 ATOM 1318 ND1 HIS A 162 36.233 32.130 -4.800 1.00 0.00 ATOM 1319 CE1 HIS A 162 36.662 33.229 -5.399 1.00 0.00 ATOM 1320 NE2 HIS A 162 37.983 33.204 -5.414 1.00 0.00 ATOM 1321 O HIS A 162 36.032 28.169 -1.937 1.00 0.00 ATOM 1322 C HIS A 162 36.750 29.050 -1.447 1.00 0.00 ATOM 1323 N ILE A 163 37.253 28.989 -0.221 1.00 0.00 ATOM 1324 CA ILE A 163 36.843 27.973 0.724 1.00 0.00 ATOM 1325 CB ILE A 163 37.913 26.882 0.936 1.00 0.00 ATOM 1326 CG1 ILE A 163 39.259 27.514 1.275 1.00 0.00 ATOM 1327 CG2 ILE A 163 37.967 25.930 -0.257 1.00 0.00 ATOM 1328 CD1 ILE A 163 40.250 26.560 1.833 1.00 0.00 ATOM 1329 O ILE A 163 37.062 29.821 2.253 1.00 0.00 ATOM 1330 C ILE A 163 36.569 28.698 2.024 1.00 0.00 ATOM 1331 N THR A 164 35.791 28.045 2.884 1.00 0.00 ATOM 1332 CA THR A 164 35.426 28.638 4.177 1.00 0.00 ATOM 1333 CB THR A 164 33.890 28.822 4.273 1.00 0.00 ATOM 1334 CG2 THR A 164 33.553 29.686 5.434 1.00 0.00 ATOM 1335 OG1 THR A 164 33.393 29.411 3.055 1.00 0.00 ATOM 1336 O THR A 164 35.417 26.602 5.403 1.00 0.00 ATOM 1337 C THR A 164 35.927 27.707 5.262 1.00 0.00 ATOM 1338 N ILE A 165 36.903 28.168 6.026 1.00 0.00 ATOM 1339 CA ILE A 165 37.582 27.276 6.958 1.00 0.00 ATOM 1340 CB ILE A 165 39.074 27.602 7.041 1.00 0.00 ATOM 1341 CG1 ILE A 165 39.683 27.553 5.631 1.00 0.00 ATOM 1342 CG2 ILE A 165 39.755 26.599 7.993 1.00 0.00 ATOM 1343 CD1 ILE A 165 41.220 27.689 5.607 1.00 0.00 ATOM 1344 O ILE A 165 36.777 28.504 8.845 1.00 0.00 ATOM 1345 C ILE A 165 36.957 27.391 8.331 1.00 0.00 ATOM 1346 N ARG A 166 36.641 26.245 8.933 1.00 0.00 ATOM 1347 CA ARG A 166 36.135 26.260 10.306 1.00 0.00 ATOM 1348 CB ARG A 166 34.614 25.985 10.313 1.00 0.00 ATOM 1349 CG ARG A 166 33.769 27.039 9.591 1.00 0.00 ATOM 1350 CD ARG A 166 33.795 28.326 10.361 1.00 0.00 ATOM 1351 NE ARG A 166 32.913 29.356 9.785 1.00 0.00 ATOM 1352 CZ ARG A 166 33.321 30.343 8.986 1.00 0.00 ATOM 1353 NH1 ARG A 166 34.582 30.433 8.551 1.00 0.00 ATOM 1354 NH2 ARG A 166 32.431 31.248 8.592 1.00 0.00 ATOM 1355 O ARG A 166 37.103 24.094 10.535 1.00 0.00 ATOM 1356 C ARG A 166 36.827 25.164 11.064 1.00 0.00 ATOM 1357 N ASN A 167 37.070 25.393 12.346 1.00 0.00 ATOM 1358 CA ASN A 167 37.639 24.330 13.177 1.00 0.00 ATOM 1359 CB ASN A 167 38.352 24.872 14.422 1.00 0.00 ATOM 1360 CG ASN A 167 37.434 25.531 15.403 1.00 0.00 ATOM 1361 ND2 ASN A 167 37.995 26.460 16.164 1.00 0.00 ATOM 1362 OD1 ASN A 167 36.244 25.237 15.494 1.00 0.00 ATOM 1363 O ASN A 167 35.413 23.402 13.206 1.00 0.00 ATOM 1364 C ASN A 167 36.605 23.240 13.483 1.00 0.00 ATOM 1365 N ALA A 168 37.060 22.110 14.011 1.00 0.00 ATOM 1366 CA ALA A 168 36.151 21.003 14.235 1.00 0.00 ATOM 1367 CB ALA A 168 36.951 19.785 14.727 1.00 0.00 ATOM 1368 O ALA A 168 33.928 20.808 15.064 1.00 0.00 ATOM 1369 C ALA A 168 35.032 21.319 15.212 1.00 0.00 ATOM 1370 N LYS A 169 35.318 22.131 16.226 1.00 0.00 ATOM 1371 CA LYS A 169 34.254 22.481 17.190 1.00 0.00 ATOM 1372 CB LYS A 169 34.803 23.322 18.354 1.00 0.00 ATOM 1373 CG LYS A 169 35.732 22.564 19.303 1.00 0.00 ATOM 1374 CD LYS A 169 34.970 21.867 20.396 1.00 0.00 ATOM 1375 CE LYS A 169 35.930 21.157 21.366 1.00 0.00 ATOM 1376 NZ LYS A 169 35.204 20.468 22.458 1.00 0.00 ATOM 1377 O LYS A 169 31.958 23.048 16.747 1.00 0.00 ATOM 1378 C LYS A 169 33.150 23.250 16.488 1.00 0.00 ATOM 1379 N THR A 170 33.550 24.145 15.590 1.00 0.00 ATOM 1380 CA THR A 170 32.581 24.955 14.871 1.00 0.00 ATOM 1381 CB THR A 170 33.245 26.213 14.297 1.00 0.00 ATOM 1382 CG2 THR A 170 32.214 27.112 13.613 1.00 0.00 ATOM 1383 OG1 THR A 170 33.872 26.933 15.369 1.00 0.00 ATOM 1384 O THR A 170 30.634 24.325 13.567 1.00 0.00 ATOM 1385 C THR A 170 31.841 24.154 13.792 1.00 0.00 ATOM 1386 N PHE A 171 32.554 23.243 13.132 1.00 0.00 ATOM 1387 CA PHE A 171 31.900 22.276 12.259 1.00 0.00 ATOM 1388 CB PHE A 171 32.985 21.298 11.777 1.00 0.00 ATOM 1389 CG PHE A 171 32.493 20.151 10.938 1.00 0.00 ATOM 1390 CD1 PHE A 171 32.489 20.239 9.552 1.00 0.00 ATOM 1391 CD2 PHE A 171 32.095 18.952 11.537 1.00 0.00 ATOM 1392 CE1 PHE A 171 32.086 19.141 8.761 1.00 0.00 ATOM 1393 CE2 PHE A 171 31.670 17.881 10.765 1.00 0.00 ATOM 1394 CZ PHE A 171 31.680 17.972 9.379 1.00 0.00 ATOM 1395 O PHE A 171 29.630 21.469 12.510 1.00 0.00 ATOM 1396 C PHE A 171 30.754 21.571 13.013 1.00 0.00 ATOM 1397 N ASP A 172 31.006 21.104 14.238 1.00 0.00 ATOM 1398 CA ASP A 172 29.929 20.466 15.011 1.00 0.00 ATOM 1399 CB ASP A 172 30.446 19.880 16.320 1.00 0.00 ATOM 1400 CG ASP A 172 31.346 18.695 16.115 1.00 0.00 ATOM 1401 OD1 ASP A 172 31.256 18.043 15.061 1.00 0.00 ATOM 1402 OD2 ASP A 172 32.126 18.387 17.045 1.00 0.00 ATOM 1403 O ASP A 172 27.617 21.069 15.245 1.00 0.00 ATOM 1404 C ASP A 172 28.787 21.436 15.323 1.00 0.00 ATOM 1405 N LYS A 173 29.143 22.661 15.696 1.00 0.00 ATOM 1406 CA LYS A 173 28.141 23.687 15.996 1.00 0.00 ATOM 1407 CB LYS A 173 28.814 24.969 16.490 1.00 0.00 ATOM 1408 CG LYS A 173 29.418 24.873 17.888 1.00 0.00 ATOM 1409 CD LYS A 173 28.380 24.944 19.023 1.00 0.00 ATOM 1410 CE LYS A 173 29.072 25.230 20.356 1.00 0.00 ATOM 1411 NZ LYS A 173 28.164 25.277 21.550 1.00 0.00 ATOM 1412 O LYS A 173 26.049 24.230 14.966 1.00 0.00 ATOM 1413 C LYS A 173 27.246 23.971 14.800 1.00 0.00 ATOM 1414 N ILE A 174 27.821 23.932 13.595 1.00 0.00 ATOM 1415 CA ILE A 174 27.072 24.144 12.363 1.00 0.00 ATOM 1416 CB ILE A 174 28.039 24.262 11.152 1.00 0.00 ATOM 1417 CG1 ILE A 174 28.724 25.623 11.207 1.00 0.00 ATOM 1418 CG2 ILE A 174 27.316 24.034 9.816 1.00 0.00 ATOM 1419 CD1 ILE A 174 30.061 25.711 10.416 1.00 0.00 ATOM 1420 O ILE A 174 24.853 23.315 11.888 1.00 0.00 ATOM 1421 C ILE A 174 26.015 23.042 12.185 1.00 0.00 ATOM 1422 N GLY A 175 26.416 21.785 12.392 1.00 0.00 ATOM 1423 CA GLY A 175 25.459 20.690 12.361 1.00 0.00 ATOM 1424 O GLY A 175 23.181 20.574 13.065 1.00 0.00 ATOM 1425 C GLY A 175 24.347 20.817 13.393 1.00 0.00 ATOM 1426 N GLN A 176 24.713 21.192 14.619 1.00 0.00 ATOM 1427 CA GLN A 176 23.722 21.404 15.690 1.00 0.00 ATOM 1428 CB GLN A 176 24.414 21.758 16.993 1.00 0.00 ATOM 1429 CG GLN A 176 25.181 20.623 17.648 1.00 0.00 ATOM 1430 CD GLN A 176 26.143 21.142 18.696 1.00 0.00 ATOM 1431 OE1 GLN A 176 25.838 22.102 19.410 1.00 0.00 ATOM 1432 NE2 GLN A 176 27.313 20.514 18.794 1.00 0.00 ATOM 1433 O GLN A 176 21.541 22.407 15.576 1.00 0.00 ATOM 1434 C GLN A 176 22.752 22.531 15.328 1.00 0.00 ATOM 1435 N MET A 177 23.261 23.634 14.774 1.00 0.00 ATOM 1436 CA MET A 177 22.376 24.747 14.377 1.00 0.00 ATOM 1437 CB MET A 177 23.177 25.994 14.006 1.00 0.00 ATOM 1438 CG MET A 177 23.942 26.626 15.168 1.00 0.00 ATOM 1439 SD MET A 177 22.763 27.573 16.372 1.00 0.00 ATOM 1440 CE MET A 177 22.368 29.148 15.259 1.00 0.00 ATOM 1441 O MET A 177 20.317 24.878 13.170 1.00 0.00 ATOM 1442 C MET A 177 21.448 24.365 13.239 1.00 0.00 ATOM 1443 N LEU A 178 21.906 23.507 12.330 1.00 0.00 ATOM 1444 CA LEU A 178 21.086 23.014 11.235 1.00 0.00 ATOM 1445 CB LEU A 178 21.968 22.251 10.237 1.00 0.00 ATOM 1446 CG LEU A 178 22.729 23.127 9.243 1.00 0.00 ATOM 1447 CD1 LEU A 178 23.756 22.280 8.526 1.00 0.00 ATOM 1448 CD2 LEU A 178 21.769 23.739 8.251 1.00 0.00 ATOM 1449 O LEU A 178 18.915 22.041 11.046 1.00 0.00 ATOM 1450 C LEU A 178 19.956 22.101 11.695 1.00 0.00 ATOM 1451 N LYS A 179 20.205 21.381 12.794 1.00 0.00 ATOM 1452 CA LYS A 179 19.268 20.388 13.352 1.00 0.00 ATOM 1453 CB LYS A 179 20.030 19.306 14.114 1.00 0.00 ATOM 1454 CG LYS A 179 20.538 18.186 13.253 1.00 0.00 ATOM 1455 CD LYS A 179 21.054 17.033 14.112 1.00 0.00 ATOM 1456 CE LYS A 179 22.082 16.176 13.374 1.00 0.00 ATOM 1457 NZ LYS A 179 21.557 15.475 12.171 1.00 0.00 ATOM 1458 O LYS A 179 17.205 20.367 14.557 1.00 0.00 ATOM 1459 C LYS A 179 18.239 20.995 14.283 1.00 0.00 ATOM 1460 N LYS A 180 18.519 22.194 14.794 1.00 0.00 ATOM 1461 CA LYS A 180 17.595 22.891 15.697 1.00 0.00 ATOM 1462 CB LYS A 180 18.112 24.292 16.013 1.00 0.00 ATOM 1463 CG LYS A 180 19.068 24.365 17.190 1.00 0.00 ATOM 1464 CD LYS A 180 19.530 25.794 17.428 1.00 0.00 ATOM 1465 CE LYS A 180 18.361 26.727 17.749 1.00 0.00 ATOM 1466 NZ LYS A 180 18.780 28.157 17.753 1.00 0.00 ATOM 1467 O LYS A 180 16.026 23.278 13.909 1.00 0.00 ATOM 1468 C LYS A 180 16.191 22.991 15.099 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_275246324.pdb -s /var/tmp/to_scwrl_275246324.seq -o /var/tmp/from_scwrl_275246324.pdb > /var/tmp/scwrl_275246324.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_275246324.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 163 # 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 = -14.831 # GDT_score(maxd=8.000,maxw=2.900)= -13.026 # GDT_score(maxd=8.000,maxw=3.200)= -12.547 # GDT_score(maxd=8.000,maxw=3.500)= -12.149 # GDT_score(maxd=10.000,maxw=3.800)= -13.922 # GDT_score(maxd=10.000,maxw=4.000)= -13.621 # GDT_score(maxd=10.000,maxw=4.200)= -13.324 # GDT_score(maxd=12.000,maxw=4.300)= -15.220 # GDT_score(maxd=12.000,maxw=4.500)= -14.862 # GDT_score(maxd=12.000,maxw=4.700)= -14.507 # GDT_score(maxd=14.000,maxw=5.200)= -15.507 # GDT_score(maxd=14.000,maxw=5.500)= -14.939 # command:# request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_976744140.pdb -s /var/tmp/to_scwrl_976744140.seq -o /var/tmp/from_scwrl_976744140.pdb > /var/tmp/scwrl_976744140.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_976744140.pdb # conformation set from SCWRL output # command:# naming current conformation model2-scwrl # command:# ReadConformPDB reading from PDB file model3.ts-submitted looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model3.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -16.667 # GDT_score(maxd=8.000,maxw=2.900)= -15.013 # GDT_score(maxd=8.000,maxw=3.200)= -14.453 # GDT_score(maxd=8.000,maxw=3.500)= -13.989 # GDT_score(maxd=10.000,maxw=3.800)= -15.767 # GDT_score(maxd=10.000,maxw=4.000)= -15.431 # GDT_score(maxd=10.000,maxw=4.200)= -15.114 # GDT_score(maxd=12.000,maxw=4.300)= -17.008 # GDT_score(maxd=12.000,maxw=4.500)= -16.638 # GDT_score(maxd=12.000,maxw=4.700)= -16.270 # GDT_score(maxd=14.000,maxw=5.200)= -17.348 # GDT_score(maxd=14.000,maxw=5.500)= -16.781 # command:# request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_244114456.pdb -s /var/tmp/to_scwrl_244114456.seq -o /var/tmp/from_scwrl_244114456.pdb > /var/tmp/scwrl_244114456.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_244114456.pdb # conformation set from SCWRL output # command:# naming current conformation model3-scwrl # command:# ReadConformPDB reading from PDB file model4.ts-submitted looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model4.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -12.288 # GDT_score(maxd=8.000,maxw=2.900)= -11.023 # GDT_score(maxd=8.000,maxw=3.200)= -10.731 # GDT_score(maxd=8.000,maxw=3.500)= -10.489 # GDT_score(maxd=10.000,maxw=3.800)= -11.817 # GDT_score(maxd=10.000,maxw=4.000)= -11.622 # GDT_score(maxd=10.000,maxw=4.200)= -11.445 # GDT_score(maxd=12.000,maxw=4.300)= -13.215 # GDT_score(maxd=12.000,maxw=4.500)= -12.979 # GDT_score(maxd=12.000,maxw=4.700)= -12.763 # GDT_score(maxd=14.000,maxw=5.200)= -14.004 # GDT_score(maxd=14.000,maxw=5.500)= -13.636 # command:# request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1042538608.pdb -s /var/tmp/to_scwrl_1042538608.seq -o /var/tmp/from_scwrl_1042538608.pdb > /var/tmp/scwrl_1042538608.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1042538608.pdb # conformation set from SCWRL output # command:# naming current conformation model4-scwrl # command:# ReadConformPDB reading from PDB file model5.ts-submitted looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model5.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -12.429 # GDT_score(maxd=8.000,maxw=2.900)= -11.140 # GDT_score(maxd=8.000,maxw=3.200)= -10.858 # GDT_score(maxd=8.000,maxw=3.500)= -10.587 # GDT_score(maxd=10.000,maxw=3.800)= -11.832 # GDT_score(maxd=10.000,maxw=4.000)= -11.608 # GDT_score(maxd=10.000,maxw=4.200)= -11.399 # GDT_score(maxd=12.000,maxw=4.300)= -12.838 # GDT_score(maxd=12.000,maxw=4.500)= -12.584 # GDT_score(maxd=12.000,maxw=4.700)= -12.324 # GDT_score(maxd=14.000,maxw=5.200)= -13.278 # GDT_score(maxd=14.000,maxw=5.500)= -12.832 # command:# request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_12000845.pdb -s /var/tmp/to_scwrl_12000845.seq -o /var/tmp/from_scwrl_12000845.pdb > /var/tmp/scwrl_12000845.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_12000845.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 T0299.try1-opt2.pdb looking for model 1 # Found a chain break before 166 # 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 = -18.362 # GDT_score(maxd=8.000,maxw=2.900)= -15.887 # GDT_score(maxd=8.000,maxw=3.200)= -15.245 # GDT_score(maxd=8.000,maxw=3.500)= -14.708 # GDT_score(maxd=10.000,maxw=3.800)= -17.156 # GDT_score(maxd=10.000,maxw=4.000)= -16.722 # GDT_score(maxd=10.000,maxw=4.200)= -16.329 # GDT_score(maxd=12.000,maxw=4.300)= -18.777 # GDT_score(maxd=12.000,maxw=4.500)= -18.319 # GDT_score(maxd=12.000,maxw=4.700)= -17.880 # GDT_score(maxd=14.000,maxw=5.200)= -19.073 # GDT_score(maxd=14.000,maxw=5.500)= -18.379 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0299.try1-real.pdb for output Error: Couldn't open file T0299.try1-real.pdb for output superimposing iter= 0 total_weight= 2173.000 rmsd (weighted)= 15.157 (unweighted)= 15.773 superimposing iter= 1 total_weight= 3822.839 rmsd (weighted)= 9.149 (unweighted)= 15.825 superimposing iter= 2 total_weight= 1860.192 rmsd (weighted)= 8.049 (unweighted)= 15.894 superimposing iter= 3 total_weight= 1568.442 rmsd (weighted)= 7.723 (unweighted)= 15.984 superimposing iter= 4 total_weight= 1533.100 rmsd (weighted)= 7.492 (unweighted)= 16.094 superimposing iter= 5 total_weight= 1520.071 rmsd (weighted)= 7.298 (unweighted)= 16.207 EXPDTA T0299.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0299.try1-opt2.pdb ATOM 1 N MET A 1 25.237 33.127 22.111 1.00 0.00 ATOM 2 CA MET A 1 26.319 33.573 21.199 1.00 0.00 ATOM 3 CB MET A 1 26.465 32.549 20.058 1.00 0.00 ATOM 4 CG MET A 1 25.378 32.666 19.000 1.00 0.00 ATOM 5 SD MET A 1 25.251 31.170 17.999 1.00 0.00 ATOM 6 CE MET A 1 24.440 31.824 16.542 1.00 0.00 ATOM 7 O MET A 1 24.957 35.443 20.586 1.00 0.00 ATOM 8 C MET A 1 25.940 34.779 20.321 1.00 0.00 ATOM 9 N THR A 2 26.772 35.058 19.328 1.00 0.00 ATOM 10 CA THR A 2 26.709 36.283 18.603 1.00 0.00 ATOM 11 CB THR A 2 28.029 36.571 17.864 1.00 0.00 ATOM 12 CG2 THR A 2 27.932 37.875 17.087 1.00 0.00 ATOM 13 OG1 THR A 2 29.097 36.676 18.815 1.00 0.00 ATOM 14 O THR A 2 25.029 35.103 17.438 1.00 0.00 ATOM 15 C THR A 2 25.483 36.197 17.731 1.00 0.00 ATOM 16 N ARG A 3 24.861 37.272 17.459 1.00 0.00 ATOM 17 CA ARG A 3 23.675 37.264 16.640 1.00 0.00 ATOM 18 CB ARG A 3 22.535 37.947 17.358 1.00 0.00 ATOM 19 CG ARG A 3 22.038 37.199 18.578 1.00 0.00 ATOM 20 CD ARG A 3 20.810 37.854 19.176 1.00 0.00 ATOM 21 NE ARG A 3 20.975 39.217 19.706 1.00 0.00 ATOM 22 CZ ARG A 3 21.141 39.529 21.012 1.00 0.00 ATOM 23 NH1 ARG A 3 21.181 38.537 21.855 1.00 0.00 ATOM 24 NH2 ARG A 3 21.261 40.776 21.383 1.00 0.00 ATOM 25 O ARG A 3 23.549 37.279 14.340 1.00 0.00 ATOM 26 C ARG A 3 24.100 37.822 15.292 1.00 0.00 ATOM 27 N TYR A 4 24.855 38.901 15.253 1.00 0.00 ATOM 28 CA TYR A 4 25.054 39.648 14.016 1.00 0.00 ATOM 29 CB TYR A 4 24.137 40.916 14.031 1.00 0.00 ATOM 30 CG TYR A 4 22.684 40.676 14.320 1.00 0.00 ATOM 31 CD1 TYR A 4 21.931 39.778 13.561 1.00 0.00 ATOM 32 CD2 TYR A 4 22.046 41.360 15.349 1.00 0.00 ATOM 33 CE1 TYR A 4 20.563 39.568 13.830 1.00 0.00 ATOM 34 CE2 TYR A 4 20.689 41.166 15.625 1.00 0.00 ATOM 35 CZ TYR A 4 19.949 40.271 14.866 1.00 0.00 ATOM 36 OH TYR A 4 18.600 40.104 15.150 1.00 0.00 ATOM 37 O TYR A 4 27.367 40.242 14.363 1.00 0.00 ATOM 38 C TYR A 4 26.533 39.689 13.637 1.00 0.00 ATOM 39 N ALA A 5 26.851 39.115 12.493 1.00 0.00 ATOM 40 CA ALA A 5 28.230 39.080 12.029 1.00 0.00 ATOM 41 CB ALA A 5 28.419 38.441 10.715 1.00 0.00 ATOM 42 O ALA A 5 29.864 40.834 12.147 1.00 0.00 ATOM 43 C ALA A 5 28.731 40.503 11.800 1.00 0.00 ATOM 44 N LEU A 6 27.885 41.348 11.217 1.00 0.00 ATOM 45 CA LEU A 6 28.274 42.730 10.962 1.00 0.00 ATOM 46 CB LEU A 6 27.169 43.486 10.220 1.00 0.00 ATOM 47 CG LEU A 6 27.529 44.933 9.866 1.00 0.00 ATOM 48 CD1 LEU A 6 28.638 44.942 8.823 1.00 0.00 ATOM 49 CD2 LEU A 6 26.309 45.651 9.330 1.00 0.00 ATOM 50 O LEU A 6 29.554 44.180 12.374 1.00 0.00 ATOM 51 C LEU A 6 28.575 43.443 12.272 1.00 0.00 ATOM 52 N LEU A 7 27.728 43.225 13.274 1.00 0.00 ATOM 53 CA LEU A 7 27.931 43.854 14.570 1.00 0.00 ATOM 54 CB LEU A 7 26.765 43.547 15.514 1.00 0.00 ATOM 55 CG LEU A 7 25.394 44.120 15.150 1.00 0.00 ATOM 56 CD1 LEU A 7 24.386 43.727 16.225 1.00 0.00 ATOM 57 CD2 LEU A 7 25.478 45.635 15.033 1.00 0.00 ATOM 58 O LEU A 7 30.013 44.126 15.718 1.00 0.00 ATOM 59 C LEU A 7 29.228 43.346 15.183 1.00 0.00 ATOM 60 N VAL A 8 29.488 42.000 15.116 1.00 0.00 ATOM 61 CA VAL A 8 30.695 41.389 15.692 1.00 0.00 ATOM 62 CB VAL A 8 30.367 40.082 16.437 1.00 0.00 ATOM 63 CG1 VAL A 8 31.641 39.422 16.942 1.00 0.00 ATOM 64 CG2 VAL A 8 29.465 40.361 17.629 1.00 0.00 ATOM 65 O VAL A 8 31.352 40.604 13.518 1.00 0.00 ATOM 66 C VAL A 8 31.682 41.016 14.621 1.00 0.00 ATOM 67 N ARG A 9 33.030 41.112 15.037 1.00 0.00 ATOM 68 CA ARG A 9 34.116 40.807 14.165 1.00 0.00 ATOM 69 CB ARG A 9 35.365 41.583 14.581 1.00 0.00 ATOM 70 CG ARG A 9 35.192 43.104 14.558 1.00 0.00 ATOM 71 CD ARG A 9 36.475 43.779 15.019 1.00 0.00 ATOM 72 NE ARG A 9 37.578 43.438 14.130 1.00 0.00 ATOM 73 CZ ARG A 9 38.033 44.228 13.164 1.00 0.00 ATOM 74 NH1 ARG A 9 37.485 45.422 12.966 1.00 0.00 ATOM 75 NH2 ARG A 9 39.016 43.808 12.379 1.00 0.00 ATOM 76 O ARG A 9 35.372 38.874 13.471 1.00 0.00 ATOM 77 C ARG A 9 34.405 39.306 14.099 1.00 0.00 ATOM 78 N GLY A 10 33.555 38.521 14.757 1.00 0.00 ATOM 79 CA GLY A 10 33.675 37.075 14.731 1.00 0.00 ATOM 80 O GLY A 10 35.454 36.969 16.350 1.00 0.00 ATOM 81 C GLY A 10 34.780 36.381 15.501 1.00 0.00 ATOM 82 N ILE A 11 34.917 35.088 15.212 1.00 0.00 ATOM 83 CA ILE A 11 35.918 34.225 15.827 1.00 0.00 ATOM 84 CB ILE A 11 35.313 32.844 16.143 1.00 0.00 ATOM 85 CG1 ILE A 11 34.119 33.023 17.088 1.00 0.00 ATOM 86 CG2 ILE A 11 36.361 31.942 16.771 1.00 0.00 ATOM 87 CD1 ILE A 11 33.258 31.783 17.251 1.00 0.00 ATOM 88 O ILE A 11 36.841 33.741 13.673 1.00 0.00 ATOM 89 C ILE A 11 37.060 34.082 14.834 1.00 0.00 ATOM 90 N ASN A 12 38.277 34.349 15.293 1.00 0.00 ATOM 91 CA ASN A 12 39.436 34.296 14.412 1.00 0.00 ATOM 92 CB ASN A 12 40.533 35.237 14.914 1.00 0.00 ATOM 93 CG ASN A 12 41.711 35.318 13.962 1.00 0.00 ATOM 94 ND2 ASN A 12 42.432 36.433 14.011 1.00 0.00 ATOM 95 OD1 ASN A 12 41.967 34.392 13.196 1.00 0.00 ATOM 96 O ASN A 12 40.402 32.328 15.392 1.00 0.00 ATOM 97 C ASN A 12 39.992 32.877 14.368 1.00 0.00 ATOM 98 N VAL A 13 39.998 32.277 13.206 1.00 0.00 ATOM 99 CA VAL A 13 40.510 30.928 12.977 1.00 0.00 ATOM 100 CB VAL A 13 39.957 30.389 11.631 1.00 0.00 ATOM 101 CG1 VAL A 13 38.428 30.340 11.663 1.00 0.00 ATOM 102 CG2 VAL A 13 40.411 31.288 10.477 1.00 0.00 ATOM 103 O VAL A 13 42.648 32.010 13.159 1.00 0.00 ATOM 104 C VAL A 13 42.031 30.945 13.118 1.00 0.00 ATOM 105 N GLY A 14 42.669 29.796 13.258 1.00 0.00 ATOM 106 CA GLY A 14 44.113 29.697 13.370 1.00 0.00 ATOM 107 O GLY A 14 45.971 30.737 12.305 1.00 0.00 ATOM 108 C GLY A 14 44.803 30.278 12.169 1.00 0.00 ATOM 109 N GLY A 15 44.169 30.375 10.914 1.00 0.00 ATOM 110 CA GLY A 15 44.846 30.863 9.703 1.00 0.00 ATOM 111 O GLY A 15 44.865 32.918 8.449 1.00 0.00 ATOM 112 C GLY A 15 44.533 32.347 9.491 1.00 0.00 ATOM 113 N LYS A 16 43.893 32.964 10.480 1.00 0.00 ATOM 114 CA LYS A 16 43.579 34.380 10.395 1.00 0.00 ATOM 115 CB LYS A 16 44.797 35.079 9.653 1.00 0.00 ATOM 116 CG LYS A 16 46.148 34.849 10.304 1.00 0.00 ATOM 117 CD LYS A 16 47.261 35.510 9.520 1.00 0.00 ATOM 118 CE LYS A 16 48.622 35.167 10.102 1.00 0.00 ATOM 119 NZ LYS A 16 48.680 35.471 11.558 1.00 0.00 ATOM 120 O LYS A 16 41.778 35.896 9.999 1.00 0.00 ATOM 121 C LYS A 16 42.206 34.747 9.865 1.00 0.00 ATOM 122 N ASN A 17 41.516 33.786 9.260 1.00 0.00 ATOM 123 CA ASN A 17 40.187 34.033 8.722 1.00 0.00 ATOM 124 CB ASN A 17 39.695 32.819 7.932 1.00 0.00 ATOM 125 CG ASN A 17 38.369 33.070 7.243 1.00 0.00 ATOM 126 ND2 ASN A 17 38.396 33.146 5.918 1.00 0.00 ATOM 127 OD1 ASN A 17 37.333 33.194 7.896 1.00 0.00 ATOM 128 O ASN A 17 39.137 33.570 10.827 1.00 0.00 ATOM 129 C ASN A 17 39.191 34.309 9.844 1.00 0.00 ATOM 130 N LYS A 18 38.343 35.401 9.610 1.00 0.00 ATOM 131 CA LYS A 18 37.339 35.747 10.616 1.00 0.00 ATOM 132 CB LYS A 18 37.124 37.261 10.661 1.00 0.00 ATOM 133 CG LYS A 18 38.311 38.041 11.203 1.00 0.00 ATOM 134 CD LYS A 18 38.427 37.896 12.711 1.00 0.00 ATOM 135 CE LYS A 18 39.529 38.782 13.268 1.00 0.00 ATOM 136 NZ LYS A 18 39.212 40.229 13.108 1.00 0.00 ATOM 137 O LYS A 18 35.444 35.289 9.218 1.00 0.00 ATOM 138 C LYS A 18 36.002 35.081 10.295 1.00 0.00 ATOM 139 N VAL A 19 35.478 34.301 11.238 1.00 0.00 ATOM 140 CA VAL A 19 34.204 33.607 11.049 1.00 0.00 ATOM 141 CB VAL A 19 34.340 32.096 11.311 1.00 0.00 ATOM 142 CG1 VAL A 19 32.996 31.403 11.144 1.00 0.00 ATOM 143 CG2 VAL A 19 35.327 31.472 10.335 1.00 0.00 ATOM 144 O VAL A 19 33.292 34.099 13.212 1.00 0.00 ATOM 145 C VAL A 19 33.128 34.139 11.996 1.00 0.00 ATOM 146 N VAL A 20 32.019 34.666 11.448 1.00 0.00 ATOM 147 CA VAL A 20 30.938 35.196 12.291 1.00 0.00 ATOM 148 CB VAL A 20 29.667 35.540 11.473 1.00 0.00 ATOM 149 CG1 VAL A 20 28.575 36.013 12.396 1.00 0.00 ATOM 150 CG2 VAL A 20 29.968 36.620 10.452 1.00 0.00 ATOM 151 O VAL A 20 30.344 32.984 13.001 1.00 0.00 ATOM 152 C VAL A 20 30.501 34.158 13.326 1.00 0.00 ATOM 153 N MET A 21 30.297 34.606 14.563 1.00 0.00 ATOM 154 CA MET A 21 29.913 33.730 15.665 1.00 0.00 ATOM 155 CB MET A 21 29.980 34.483 16.996 1.00 0.00 ATOM 156 CG MET A 21 31.393 34.801 17.458 1.00 0.00 ATOM 157 SD MET A 21 31.426 35.766 18.980 1.00 0.00 ATOM 158 CE MET A 21 30.864 34.548 20.167 1.00 0.00 ATOM 159 O MET A 21 28.287 32.012 16.075 1.00 0.00 ATOM 160 C MET A 21 28.541 33.074 15.512 1.00 0.00 ATOM 161 N ALA A 22 27.676 33.859 14.684 1.00 0.00 ATOM 162 CA ALA A 22 26.341 33.313 14.435 1.00 0.00 ATOM 163 CB ALA A 22 25.369 34.287 15.085 1.00 0.00 ATOM 164 O ALA A 22 26.981 33.757 12.172 1.00 0.00 ATOM 165 C ALA A 22 26.243 33.136 12.933 1.00 0.00 ATOM 166 N GLU A 23 25.310 32.271 12.555 1.00 0.00 ATOM 167 CA GLU A 23 25.054 32.029 11.137 1.00 0.00 ATOM 168 CB GLU A 23 26.084 31.134 10.447 1.00 0.00 ATOM 169 CG GLU A 23 26.137 29.715 10.988 1.00 0.00 ATOM 170 CD GLU A 23 27.244 28.891 10.359 1.00 0.00 ATOM 171 OE1 GLU A 23 28.007 29.448 9.542 1.00 0.00 ATOM 172 OE2 GLU A 23 27.348 27.689 10.684 1.00 0.00 ATOM 173 O GLU A 23 23.080 30.934 11.927 1.00 0.00 ATOM 174 C GLU A 23 23.693 31.406 10.965 1.00 0.00 ATOM 175 N LEU A 24 23.209 31.420 9.734 1.00 0.00 ATOM 176 CA LEU A 24 21.921 30.830 9.427 1.00 0.00 ATOM 177 CB LEU A 24 21.256 31.570 8.263 1.00 0.00 ATOM 178 CG LEU A 24 19.895 31.037 7.810 1.00 0.00 ATOM 179 CD1 LEU A 24 18.860 31.197 8.914 1.00 0.00 ATOM 180 CD2 LEU A 24 19.404 31.791 6.584 1.00 0.00 ATOM 181 O LEU A 24 22.832 29.070 8.075 1.00 0.00 ATOM 182 C LEU A 24 22.118 29.374 9.034 1.00 0.00 ATOM 183 N ARG A 25 21.513 28.474 9.801 1.00 0.00 ATOM 184 CA ARG A 25 21.601 27.059 9.494 1.00 0.00 ATOM 185 CB ARG A 25 21.706 26.119 10.372 1.00 0.00 ATOM 186 CG ARG A 25 21.506 24.769 9.702 1.00 0.00 ATOM 187 CD ARG A 25 21.503 23.661 10.729 1.00 0.00 ATOM 188 NE ARG A 25 20.261 23.673 11.496 1.00 0.00 ATOM 189 CZ ARG A 25 20.175 23.390 12.791 1.00 0.00 ATOM 190 NH1 ARG A 25 21.264 23.074 13.483 1.00 0.00 ATOM 191 NH2 ARG A 25 18.995 23.414 13.390 1.00 0.00 ATOM 192 O ARG A 25 19.317 27.058 8.816 1.00 0.00 ATOM 193 C ARG A 25 20.477 26.761 8.522 1.00 0.00 ATOM 194 N GLN A 26 20.800 26.184 7.369 1.00 0.00 ATOM 195 CA GLN A 26 19.779 25.903 6.362 1.00 0.00 ATOM 196 CB GLN A 26 20.270 26.314 4.972 1.00 0.00 ATOM 197 CG GLN A 26 20.637 27.784 4.854 1.00 0.00 ATOM 198 CD GLN A 26 19.457 28.702 5.108 1.00 0.00 ATOM 199 OE1 GLN A 26 18.367 28.490 4.574 1.00 0.00 ATOM 200 NE2 GLN A 26 19.671 29.726 5.926 1.00 0.00 ATOM 201 O GLN A 26 18.315 24.261 5.400 1.00 0.00 ATOM 202 C GLN A 26 19.186 24.503 6.238 1.00 0.00 ATOM 203 N GLU A 27 19.858 23.539 6.984 1.00 0.00 ATOM 204 CA GLU A 27 19.455 22.139 6.909 1.00 0.00 ATOM 205 CB GLU A 27 20.083 21.313 8.033 1.00 0.00 ATOM 206 CG GLU A 27 21.591 21.155 7.920 1.00 0.00 ATOM 207 CD GLU A 27 22.189 20.409 9.096 1.00 0.00 ATOM 208 OE1 GLU A 27 21.437 20.091 10.041 1.00 0.00 ATOM 209 OE2 GLU A 27 23.408 20.140 9.071 1.00 0.00 ATOM 210 O GLU A 27 17.460 20.943 6.291 1.00 0.00 ATOM 211 C GLU A 27 17.938 21.917 6.869 1.00 0.00 ATOM 212 N LEU A 28 17.175 22.773 7.479 1.00 0.00 ATOM 213 CA LEU A 28 15.716 22.628 7.555 1.00 0.00 ATOM 214 CB LEU A 28 15.235 22.900 8.983 1.00 0.00 ATOM 215 CG LEU A 28 15.789 21.978 10.072 1.00 0.00 ATOM 216 CD1 LEU A 28 15.322 22.430 11.446 1.00 0.00 ATOM 217 CD2 LEU A 28 15.320 20.548 9.855 1.00 0.00 ATOM 218 O LEU A 28 13.822 23.798 6.755 1.00 0.00 ATOM 219 C LEU A 28 15.056 23.664 6.703 1.00 0.00 ATOM 220 N THR A 29 15.728 24.564 5.755 1.00 0.00 ATOM 221 CA THR A 29 15.105 25.523 4.868 1.00 0.00 ATOM 222 CB THR A 29 15.879 26.854 4.825 1.00 0.00 ATOM 223 CG2 THR A 29 15.246 27.805 3.820 1.00 0.00 ATOM 224 OG1 THR A 29 15.855 27.465 6.121 1.00 0.00 ATOM 225 O THR A 29 16.118 24.519 2.940 1.00 0.00 ATOM 226 C THR A 29 15.098 24.988 3.444 1.00 0.00 ATOM 227 N ASN A 30 13.940 25.060 2.799 1.00 0.00 ATOM 228 CA ASN A 30 13.807 24.610 1.418 1.00 0.00 ATOM 229 CB ASN A 30 12.342 24.319 1.088 1.00 0.00 ATOM 230 CG ASN A 30 11.482 25.569 1.097 1.00 0.00 ATOM 231 ND2 ASN A 30 10.171 25.384 1.000 1.00 0.00 ATOM 232 OD1 ASN A 30 11.995 26.684 1.191 1.00 0.00 ATOM 233 O ASN A 30 14.512 26.866 1.004 1.00 0.00 ATOM 234 C ASN A 30 14.337 25.742 0.536 1.00 0.00 ATOM 235 N LEU A 31 14.556 25.498 -0.820 1.00 0.00 ATOM 236 CA LEU A 31 15.048 26.533 -1.735 1.00 0.00 ATOM 237 CB LEU A 31 15.016 26.030 -3.180 1.00 0.00 ATOM 238 CG LEU A 31 15.895 24.818 -3.496 1.00 0.00 ATOM 239 CD1 LEU A 31 15.667 24.346 -4.924 1.00 0.00 ATOM 240 CD2 LEU A 31 17.367 25.166 -3.340 1.00 0.00 ATOM 241 O LEU A 31 14.792 28.926 -1.700 1.00 0.00 ATOM 242 C LEU A 31 14.232 27.829 -1.688 1.00 0.00 ATOM 243 N GLY A 32 12.908 27.702 -1.624 1.00 0.00 ATOM 244 CA GLY A 32 12.049 28.875 -1.585 1.00 0.00 ATOM 245 O GLY A 32 12.052 30.975 -0.436 1.00 0.00 ATOM 246 C GLY A 32 12.209 29.759 -0.352 1.00 0.00 ATOM 247 N LEU A 33 12.516 29.162 0.792 1.00 0.00 ATOM 248 CA LEU A 33 12.689 29.965 1.994 1.00 0.00 ATOM 249 CB LEU A 33 12.946 29.219 3.253 1.00 0.00 ATOM 250 CG LEU A 33 11.738 28.412 3.751 1.00 0.00 ATOM 251 CD1 LEU A 33 12.104 27.372 4.784 1.00 0.00 ATOM 252 CD2 LEU A 33 10.660 29.341 4.328 1.00 0.00 ATOM 253 O LEU A 33 13.743 32.148 2.044 1.00 0.00 ATOM 254 C LEU A 33 13.849 30.937 1.812 1.00 0.00 ATOM 255 N GLU A 34 13.615 34.118 1.777 1.00 0.00 ATOM 256 CA GLU A 34 13.095 35.147 2.669 1.00 0.00 ATOM 257 CB GLU A 34 11.612 34.936 2.977 1.00 0.00 ATOM 258 CG GLU A 34 10.686 35.234 1.809 1.00 0.00 ATOM 259 CD GLU A 34 9.239 34.898 2.111 1.00 0.00 ATOM 260 OE1 GLU A 34 8.971 34.363 3.207 1.00 0.00 ATOM 261 OE2 GLU A 34 8.374 35.169 1.252 1.00 0.00 ATOM 262 O GLU A 34 14.180 36.143 4.568 1.00 0.00 ATOM 263 C GLU A 34 13.872 35.105 3.983 1.00 0.00 ATOM 264 N LYS A 35 14.184 33.896 4.441 1.00 0.00 ATOM 265 CA LYS A 35 14.920 33.719 5.685 1.00 0.00 ATOM 266 CB LYS A 35 15.032 32.234 6.034 1.00 0.00 ATOM 267 CG LYS A 35 13.719 31.593 6.447 1.00 0.00 ATOM 268 CD LYS A 35 13.901 30.117 6.770 1.00 0.00 ATOM 269 CE LYS A 35 12.578 29.465 7.135 1.00 0.00 ATOM 270 NZ LYS A 35 12.739 28.015 7.436 1.00 0.00 ATOM 271 O LYS A 35 16.772 34.973 6.521 1.00 0.00 ATOM 272 C LYS A 35 16.328 34.298 5.595 1.00 0.00 ATOM 273 N VAL A 36 17.014 34.006 4.495 1.00 0.00 ATOM 274 CA VAL A 36 18.378 34.488 4.302 1.00 0.00 ATOM 275 CB VAL A 36 18.992 33.962 2.991 1.00 0.00 ATOM 276 CG1 VAL A 36 20.331 34.632 2.723 1.00 0.00 ATOM 277 CG2 VAL A 36 19.212 32.459 3.072 1.00 0.00 ATOM 278 O VAL A 36 19.227 36.636 4.945 1.00 0.00 ATOM 279 C VAL A 36 18.425 36.011 4.251 1.00 0.00 ATOM 280 N GLU A 37 17.412 36.628 3.480 1.00 0.00 ATOM 281 CA GLU A 37 17.369 38.086 3.396 1.00 0.00 ATOM 282 CB GLU A 37 16.281 38.536 2.419 1.00 0.00 ATOM 283 CG GLU A 37 16.206 40.041 2.221 1.00 0.00 ATOM 284 CD GLU A 37 15.157 40.444 1.204 1.00 0.00 ATOM 285 OE1 GLU A 37 14.500 39.543 0.640 1.00 0.00 ATOM 286 OE2 GLU A 37 14.990 41.660 0.973 1.00 0.00 ATOM 287 O GLU A 37 17.680 39.747 5.116 1.00 0.00 ATOM 288 C GLU A 37 17.058 38.749 4.715 1.00 0.00 ATOM 289 N SER A 38 16.124 38.166 5.491 1.00 0.00 ATOM 290 CA SER A 38 15.805 38.675 6.809 1.00 0.00 ATOM 291 CB SER A 38 14.666 37.867 7.432 1.00 0.00 ATOM 292 OG SER A 38 13.467 38.021 6.692 1.00 0.00 ATOM 293 O SER A 38 17.321 39.557 8.459 1.00 0.00 ATOM 294 C SER A 38 17.017 38.605 7.732 1.00 0.00 ATOM 295 N TYR A 39 17.713 37.474 7.692 1.00 0.00 ATOM 296 CA TYR A 39 18.885 37.268 8.534 1.00 0.00 ATOM 297 CB TYR A 39 19.524 35.936 8.426 1.00 0.00 ATOM 298 CG TYR A 39 19.014 35.085 9.543 1.00 0.00 ATOM 299 CD1 TYR A 39 19.760 34.859 10.702 1.00 0.00 ATOM 300 CD2 TYR A 39 17.724 34.600 9.490 1.00 0.00 ATOM 301 CE1 TYR A 39 19.200 34.158 11.786 1.00 0.00 ATOM 302 CE2 TYR A 39 17.166 33.922 10.544 1.00 0.00 ATOM 303 CZ TYR A 39 17.904 33.699 11.689 1.00 0.00 ATOM 304 OH TYR A 39 17.276 32.984 12.686 1.00 0.00 ATOM 305 O TYR A 39 20.584 38.869 9.095 1.00 0.00 ATOM 306 C TYR A 39 20.000 38.250 8.202 1.00 0.00 ATOM 307 N ILE A 40 20.635 38.536 6.729 1.00 0.00 ATOM 308 CA ILE A 40 21.731 39.423 6.360 1.00 0.00 ATOM 309 CB ILE A 40 22.015 39.372 4.847 1.00 0.00 ATOM 310 CG1 ILE A 40 22.576 38.005 4.456 1.00 0.00 ATOM 311 CG2 ILE A 40 23.027 40.439 4.459 1.00 0.00 ATOM 312 CD1 ILE A 40 22.635 37.772 2.963 1.00 0.00 ATOM 313 O ILE A 40 22.237 41.503 7.377 1.00 0.00 ATOM 314 C ILE A 40 21.402 40.846 6.769 1.00 0.00 ATOM 315 N ASN A 41 20.182 41.305 6.459 1.00 0.00 ATOM 316 CA ASN A 41 19.823 42.678 6.822 1.00 0.00 ATOM 317 CB ASN A 41 18.428 43.010 6.290 1.00 0.00 ATOM 318 CG ASN A 41 18.399 43.158 4.781 1.00 0.00 ATOM 319 ND2 ASN A 41 17.214 43.026 4.198 1.00 0.00 ATOM 320 OD1 ASN A 41 19.431 43.390 4.151 1.00 0.00 ATOM 321 O ASN A 41 20.038 43.999 8.810 1.00 0.00 ATOM 322 C ASN A 41 19.825 42.881 8.333 1.00 0.00 ATOM 323 N SER A 42 19.611 41.702 9.080 1.00 0.00 ATOM 324 CA SER A 42 19.589 41.784 10.539 1.00 0.00 ATOM 325 CB SER A 42 18.898 40.550 11.125 1.00 0.00 ATOM 326 OG SER A 42 17.535 40.500 10.744 1.00 0.00 ATOM 327 O SER A 42 21.181 42.301 12.258 1.00 0.00 ATOM 328 C SER A 42 20.996 41.845 11.127 1.00 0.00 ATOM 329 N GLY A 43 21.987 41.386 10.367 1.00 0.00 ATOM 330 CA GLY A 43 23.354 41.419 10.855 1.00 0.00 ATOM 331 O GLY A 43 25.346 40.106 10.849 1.00 0.00 ATOM 332 C GLY A 43 24.128 40.127 10.668 1.00 0.00 ATOM 333 N ASN A 44 23.347 39.005 10.257 1.00 0.00 ATOM 334 CA ASN A 44 24.036 37.725 10.068 1.00 0.00 ATOM 335 CB ASN A 44 23.030 36.614 9.766 1.00 0.00 ATOM 336 CG ASN A 44 23.656 35.234 9.797 1.00 0.00 ATOM 337 ND2 ASN A 44 23.072 34.302 9.053 1.00 0.00 ATOM 338 OD1 ASN A 44 24.654 35.012 10.482 1.00 0.00 ATOM 339 O ASN A 44 24.531 37.987 7.738 1.00 0.00 ATOM 340 C ASN A 44 24.964 37.702 8.855 1.00 0.00 ATOM 341 N ILE A 45 26.236 37.423 9.103 1.00 0.00 ATOM 342 CA ILE A 45 27.195 37.370 8.005 1.00 0.00 ATOM 343 CB ILE A 45 27.727 38.911 8.097 1.00 0.00 ATOM 344 CG1 ILE A 45 26.562 39.852 7.757 1.00 0.00 ATOM 345 CG2 ILE A 45 28.915 39.160 7.191 1.00 0.00 ATOM 346 CD1 ILE A 45 26.772 41.274 8.163 1.00 0.00 ATOM 347 O ILE A 45 27.876 35.771 6.329 1.00 0.00 ATOM 348 C ILE A 45 27.439 35.937 7.462 1.00 0.00 ATOM 349 N PHE A 46 27.221 34.924 8.186 1.00 0.00 ATOM 350 CA PHE A 46 27.470 33.523 7.819 1.00 0.00 ATOM 351 CB PHE A 46 27.741 32.709 8.933 1.00 0.00 ATOM 352 CG PHE A 46 29.201 32.453 8.686 1.00 0.00 ATOM 353 CD1 PHE A 46 29.606 31.445 7.823 1.00 0.00 ATOM 354 CD2 PHE A 46 30.170 33.245 9.295 1.00 0.00 ATOM 355 CE1 PHE A 46 30.965 31.214 7.582 1.00 0.00 ATOM 356 CE2 PHE A 46 31.519 33.025 9.053 1.00 0.00 ATOM 357 CZ PHE A 46 31.912 32.012 8.188 1.00 0.00 ATOM 358 O PHE A 46 25.193 32.818 8.138 1.00 0.00 ATOM 359 C PHE A 46 26.198 32.776 7.425 1.00 0.00 ATOM 360 N PHE A 47 26.268 32.085 6.293 1.00 0.00 ATOM 361 CA PHE A 47 25.162 31.282 5.781 1.00 0.00 ATOM 362 CB PHE A 47 24.670 31.844 4.456 1.00 0.00 ATOM 363 CG PHE A 47 24.108 33.221 4.588 1.00 0.00 ATOM 364 CD1 PHE A 47 22.797 33.393 4.975 1.00 0.00 ATOM 365 CD2 PHE A 47 24.906 34.345 4.395 1.00 0.00 ATOM 366 CE1 PHE A 47 22.269 34.662 5.131 1.00 0.00 ATOM 367 CE2 PHE A 47 24.394 35.610 4.558 1.00 0.00 ATOM 368 CZ PHE A 47 23.070 35.783 4.924 1.00 0.00 ATOM 369 O PHE A 47 26.698 29.635 4.948 1.00 0.00 ATOM 370 C PHE A 47 25.690 29.859 5.623 1.00 0.00 ATOM 371 N THR A 48 25.011 28.904 6.250 1.00 0.00 ATOM 372 CA THR A 48 25.419 27.503 6.199 1.00 0.00 ATOM 373 CB THR A 48 25.456 26.878 7.606 1.00 0.00 ATOM 374 CG2 THR A 48 25.867 25.415 7.527 1.00 0.00 ATOM 375 OG1 THR A 48 26.402 27.582 8.420 1.00 0.00 ATOM 376 O THR A 48 23.255 26.641 5.639 1.00 0.00 ATOM 377 C THR A 48 24.451 26.688 5.354 1.00 0.00 ATOM 378 N SER A 49 24.977 26.018 4.337 1.00 0.00 ATOM 379 CA SER A 49 24.154 25.207 3.460 1.00 0.00 ATOM 380 CB SER A 49 23.930 25.919 2.125 1.00 0.00 ATOM 381 OG SER A 49 22.949 25.252 1.349 1.00 0.00 ATOM 382 O SER A 49 26.093 23.827 3.271 1.00 0.00 ATOM 383 C SER A 49 24.899 23.966 3.024 1.00 0.00 ATOM 384 N ILE A 50 24.198 23.036 2.337 1.00 0.00 ATOM 385 CA ILE A 50 24.823 21.819 1.861 1.00 0.00 ATOM 386 CB ILE A 50 24.648 20.626 2.855 1.00 0.00 ATOM 387 CG1 ILE A 50 23.162 20.280 3.028 1.00 0.00 ATOM 388 CG2 ILE A 50 25.323 20.919 4.208 1.00 0.00 ATOM 389 CD1 ILE A 50 22.904 19.067 3.870 1.00 0.00 ATOM 390 O ILE A 50 23.087 21.732 0.221 1.00 0.00 ATOM 391 C ILE A 50 24.236 21.407 0.524 1.00 0.00 ATOM 392 N ASP A 51 25.015 20.692 -0.276 1.00 0.00 ATOM 393 CA ASP A 51 24.522 20.264 -1.575 1.00 0.00 ATOM 394 CB ASP A 51 25.617 19.389 -2.281 1.00 0.00 ATOM 395 CG ASP A 51 26.100 20.386 -3.364 1.00 0.00 ATOM 396 OD1 ASP A 51 25.327 20.536 -4.343 1.00 0.00 ATOM 397 OD2 ASP A 51 27.154 20.984 -3.024 1.00 0.00 ATOM 398 O ASP A 51 22.328 19.552 -2.242 1.00 0.00 ATOM 399 C ASP A 51 23.245 19.437 -1.428 1.00 0.00 ATOM 400 N SER A 52 20.171 23.614 -1.094 1.00 0.00 ATOM 401 CA SER A 52 19.664 24.982 -1.131 1.00 0.00 ATOM 402 CB SER A 52 19.208 25.422 0.262 1.00 0.00 ATOM 403 OG SER A 52 20.303 25.484 1.161 1.00 0.00 ATOM 404 O SER A 52 20.488 27.198 -1.522 1.00 0.00 ATOM 405 C SER A 52 20.709 25.990 -1.603 1.00 0.00 ATOM 406 N LYS A 53 21.841 25.499 -2.104 1.00 0.00 ATOM 407 CA LYS A 53 22.903 26.387 -2.575 1.00 0.00 ATOM 408 CB LYS A 53 24.129 25.633 -3.095 1.00 0.00 ATOM 409 CG LYS A 53 24.396 24.241 -2.503 1.00 0.00 ATOM 410 CD LYS A 53 24.198 23.125 -3.543 1.00 0.00 ATOM 411 CE LYS A 53 22.748 22.988 -4.017 1.00 0.00 ATOM 412 NZ LYS A 53 21.830 22.538 -2.938 1.00 0.00 ATOM 413 O LYS A 53 22.816 28.404 -3.869 1.00 0.00 ATOM 414 C LYS A 53 22.457 27.233 -3.767 1.00 0.00 ATOM 415 N ALA A 54 21.673 26.644 -4.663 1.00 0.00 ATOM 416 CA ALA A 54 21.204 27.372 -5.837 1.00 0.00 ATOM 417 CB ALA A 54 20.385 26.535 -6.743 1.00 0.00 ATOM 418 O ALA A 54 20.467 29.666 -5.943 1.00 0.00 ATOM 419 C ALA A 54 20.335 28.560 -5.411 1.00 0.00 ATOM 420 N GLN A 55 19.439 28.379 -4.489 1.00 0.00 ATOM 421 CA GLN A 55 18.562 29.431 -3.992 1.00 0.00 ATOM 422 CB GLN A 55 17.553 28.861 -2.994 1.00 0.00 ATOM 423 CG GLN A 55 16.518 29.866 -2.516 1.00 0.00 ATOM 424 CD GLN A 55 15.644 30.382 -3.642 1.00 0.00 ATOM 425 OE1 GLN A 55 15.162 29.611 -4.471 1.00 0.00 ATOM 426 NE2 GLN A 55 15.435 31.694 -3.674 1.00 0.00 ATOM 427 O GLN A 55 19.111 31.714 -3.475 1.00 0.00 ATOM 428 C GLN A 55 19.373 30.524 -3.299 1.00 0.00 ATOM 429 N LEU A 56 20.344 30.108 -2.496 1.00 0.00 ATOM 430 CA LEU A 56 21.201 31.043 -1.778 1.00 0.00 ATOM 431 CB LEU A 56 22.161 30.240 -0.855 1.00 0.00 ATOM 432 CG LEU A 56 21.455 29.652 0.383 1.00 0.00 ATOM 433 CD1 LEU A 56 22.391 28.677 1.099 1.00 0.00 ATOM 434 CD2 LEU A 56 21.033 30.805 1.319 1.00 0.00 ATOM 435 O LEU A 56 22.203 33.073 -2.572 1.00 0.00 ATOM 436 C LEU A 56 21.987 31.881 -2.784 1.00 0.00 ATOM 437 N VAL A 57 22.401 31.256 -3.869 1.00 0.00 ATOM 438 CA VAL A 57 23.129 31.969 -4.910 1.00 0.00 ATOM 439 CB VAL A 57 23.553 31.031 -6.055 1.00 0.00 ATOM 440 CG1 VAL A 57 24.132 31.831 -7.212 1.00 0.00 ATOM 441 CG2 VAL A 57 24.609 30.048 -5.576 1.00 0.00 ATOM 442 O VAL A 57 22.712 34.171 -5.767 1.00 0.00 ATOM 443 C VAL A 57 22.252 33.061 -5.488 1.00 0.00 ATOM 444 N GLU A 58 20.973 32.747 -5.660 1.00 0.00 ATOM 445 CA GLU A 58 20.019 33.708 -6.196 1.00 0.00 ATOM 446 CB GLU A 58 18.668 33.038 -6.452 1.00 0.00 ATOM 447 CG GLU A 58 18.673 32.053 -7.608 1.00 0.00 ATOM 448 CD GLU A 58 17.355 31.318 -7.754 1.00 0.00 ATOM 449 OE1 GLU A 58 16.461 31.528 -6.907 1.00 0.00 ATOM 450 OE2 GLU A 58 17.215 30.533 -8.715 1.00 0.00 ATOM 451 O GLU A 58 19.775 36.016 -5.569 1.00 0.00 ATOM 452 C GLU A 58 19.829 34.846 -5.193 1.00 0.00 ATOM 453 N LYS A 59 19.730 34.494 -3.915 1.00 0.00 ATOM 454 CA LYS A 59 19.555 35.492 -2.869 1.00 0.00 ATOM 455 CB LYS A 59 19.397 34.797 -1.508 1.00 0.00 ATOM 456 CG LYS A 59 18.078 34.045 -1.365 1.00 0.00 ATOM 457 CD LYS A 59 17.995 33.363 -0.022 1.00 0.00 ATOM 458 CE LYS A 59 16.659 32.651 0.151 1.00 0.00 ATOM 459 NZ LYS A 59 16.645 31.890 1.458 1.00 0.00 ATOM 460 O LYS A 59 20.549 37.679 -2.778 1.00 0.00 ATOM 461 C LYS A 59 20.732 36.463 -2.850 1.00 0.00 ATOM 462 N LEU A 60 21.945 35.921 -2.908 1.00 0.00 ATOM 463 CA LEU A 60 23.145 36.749 -2.896 1.00 0.00 ATOM 464 CB LEU A 60 24.400 35.874 -2.905 1.00 0.00 ATOM 465 CG LEU A 60 24.678 35.075 -1.631 1.00 0.00 ATOM 466 CD1 LEU A 60 25.842 34.117 -1.840 1.00 0.00 ATOM 467 CD2 LEU A 60 25.028 36.005 -0.479 1.00 0.00 ATOM 468 O LEU A 60 23.480 38.843 -4.022 1.00 0.00 ATOM 469 C LEU A 60 23.162 37.658 -4.121 1.00 0.00 ATOM 470 N GLU A 61 22.809 37.095 -5.271 1.00 0.00 ATOM 471 CA GLU A 61 22.782 37.858 -6.510 1.00 0.00 ATOM 472 CB GLU A 61 22.261 36.995 -7.661 1.00 0.00 ATOM 473 CG GLU A 61 22.253 37.697 -9.009 1.00 0.00 ATOM 474 CD GLU A 61 21.765 36.801 -10.130 1.00 0.00 ATOM 475 OE1 GLU A 61 21.445 35.626 -9.854 1.00 0.00 ATOM 476 OE2 GLU A 61 21.701 37.274 -11.285 1.00 0.00 ATOM 477 O GLU A 61 22.249 40.195 -6.699 1.00 0.00 ATOM 478 C GLU A 61 21.869 39.077 -6.354 1.00 0.00 ATOM 479 N THR A 62 20.669 38.857 -5.824 1.00 0.00 ATOM 480 CA THR A 62 19.710 39.939 -5.619 1.00 0.00 ATOM 481 CB THR A 62 18.384 39.414 -5.040 1.00 0.00 ATOM 482 CG2 THR A 62 17.417 40.562 -4.798 1.00 0.00 ATOM 483 OG1 THR A 62 17.788 38.492 -5.961 1.00 0.00 ATOM 484 O THR A 62 20.077 42.190 -4.863 1.00 0.00 ATOM 485 C THR A 62 20.248 40.987 -4.648 1.00 0.00 ATOM 486 N PHE A 63 20.895 40.534 -3.578 1.00 0.00 ATOM 487 CA PHE A 63 21.462 41.446 -2.592 1.00 0.00 ATOM 488 CB PHE A 63 22.046 40.651 -1.373 1.00 0.00 ATOM 489 CG PHE A 63 21.046 39.849 -0.600 1.00 0.00 ATOM 490 CD1 PHE A 63 19.961 40.453 0.006 1.00 0.00 ATOM 491 CD2 PHE A 63 21.156 38.457 -0.517 1.00 0.00 ATOM 492 CE1 PHE A 63 19.002 39.744 0.682 1.00 0.00 ATOM 493 CE2 PHE A 63 20.237 37.733 0.196 1.00 0.00 ATOM 494 CZ PHE A 63 19.122 38.391 0.789 1.00 0.00 ATOM 495 O PHE A 63 22.593 43.539 -2.908 1.00 0.00 ATOM 496 C PHE A 63 22.517 42.350 -3.224 1.00 0.00 ATOM 497 N PHE A 64 23.320 41.780 -4.082 1.00 0.00 ATOM 498 CA PHE A 64 24.376 42.541 -4.742 1.00 0.00 ATOM 499 CB PHE A 64 25.436 41.639 -5.348 1.00 0.00 ATOM 500 CG PHE A 64 26.624 42.406 -5.830 1.00 0.00 ATOM 501 CD1 PHE A 64 27.453 43.057 -4.921 1.00 0.00 ATOM 502 CD2 PHE A 64 26.873 42.549 -7.191 1.00 0.00 ATOM 503 CE1 PHE A 64 28.502 43.843 -5.355 1.00 0.00 ATOM 504 CE2 PHE A 64 27.925 43.336 -7.635 1.00 0.00 ATOM 505 CZ PHE A 64 28.739 43.984 -6.713 1.00 0.00 ATOM 506 O PHE A 64 24.238 44.712 -5.753 1.00 0.00 ATOM 507 C PHE A 64 23.792 43.566 -5.712 1.00 0.00 ATOM 508 N ALA A 65 22.788 43.156 -6.481 1.00 0.00 ATOM 509 CA ALA A 65 22.153 44.049 -7.445 1.00 0.00 ATOM 510 CB ALA A 65 21.143 43.286 -8.289 1.00 0.00 ATOM 511 O ALA A 65 21.333 46.301 -7.269 1.00 0.00 ATOM 512 C ALA A 65 21.417 45.190 -6.743 1.00 0.00 ATOM 513 N VAL A 66 20.875 44.907 -5.561 1.00 0.00 ATOM 514 CA VAL A 66 20.152 45.910 -4.786 1.00 0.00 ATOM 515 CB VAL A 66 19.052 45.256 -3.877 1.00 0.00 ATOM 516 CG1 VAL A 66 18.105 44.429 -4.729 1.00 0.00 ATOM 517 CG2 VAL A 66 19.686 44.399 -2.794 1.00 0.00 ATOM 518 O VAL A 66 20.706 47.905 -3.571 1.00 0.00 ATOM 519 C VAL A 66 21.115 46.864 -4.088 1.00 0.00 ATOM 520 N HIS A 67 22.442 46.185 -3.728 1.00 0.00 ATOM 521 CA HIS A 67 23.467 46.968 -3.064 1.00 0.00 ATOM 522 CB HIS A 67 23.283 48.456 -3.364 1.00 0.00 ATOM 523 CG HIS A 67 23.298 48.785 -4.825 1.00 0.00 ATOM 524 CD2 HIS A 67 22.315 49.242 -5.796 1.00 0.00 ATOM 525 ND1 HIS A 67 24.435 48.689 -5.597 1.00 0.00 ATOM 526 CE1 HIS A 67 24.139 49.048 -6.859 1.00 0.00 ATOM 527 NE2 HIS A 67 22.869 49.381 -6.985 1.00 0.00 ATOM 528 O HIS A 67 24.096 47.610 -0.850 1.00 0.00 ATOM 529 C HIS A 67 23.465 46.823 -1.554 1.00 0.00 ATOM 530 N TYR A 68 22.816 45.776 -1.056 1.00 0.00 ATOM 531 CA TYR A 68 22.747 45.538 0.379 1.00 0.00 ATOM 532 CB TYR A 68 21.806 44.370 0.684 1.00 0.00 ATOM 533 CG TYR A 68 20.350 44.667 0.402 1.00 0.00 ATOM 534 CD1 TYR A 68 19.913 45.971 0.214 1.00 0.00 ATOM 535 CD2 TYR A 68 19.417 43.641 0.327 1.00 0.00 ATOM 536 CE1 TYR A 68 18.586 46.251 -0.044 1.00 0.00 ATOM 537 CE2 TYR A 68 18.085 43.902 0.070 1.00 0.00 ATOM 538 CZ TYR A 68 17.674 45.222 -0.114 1.00 0.00 ATOM 539 OH TYR A 68 16.350 45.498 -0.372 1.00 0.00 ATOM 540 O TYR A 68 24.532 45.716 1.971 1.00 0.00 ATOM 541 C TYR A 68 24.127 45.202 0.931 1.00 0.00 ATOM 542 N PRO A 69 24.865 44.209 0.178 1.00 0.00 ATOM 543 CA PRO A 69 26.209 43.814 0.582 1.00 0.00 ATOM 544 CB PRO A 69 26.004 42.440 1.278 1.00 0.00 ATOM 545 CG PRO A 69 24.684 41.897 0.676 1.00 0.00 ATOM 546 CD PRO A 69 23.811 43.221 0.593 1.00 0.00 ATOM 547 O PRO A 69 26.521 43.325 -1.747 1.00 0.00 ATOM 548 C PRO A 69 27.039 43.437 -0.636 1.00 0.00 ATOM 549 N PHE A 70 28.337 43.263 -0.415 1.00 0.00 ATOM 550 CA PHE A 70 29.257 42.853 -1.464 1.00 0.00 ATOM 551 CB PHE A 70 30.519 43.665 -1.433 1.00 0.00 ATOM 552 CG PHE A 70 31.473 43.365 -2.595 1.00 0.00 ATOM 553 CD1 PHE A 70 31.111 43.651 -3.903 1.00 0.00 ATOM 554 CD2 PHE A 70 32.712 42.801 -2.339 1.00 0.00 ATOM 555 CE1 PHE A 70 31.969 43.426 -4.977 1.00 0.00 ATOM 556 CE2 PHE A 70 33.587 42.579 -3.396 1.00 0.00 ATOM 557 CZ PHE A 70 33.217 42.866 -4.702 1.00 0.00 ATOM 558 O PHE A 70 29.605 41.081 0.117 1.00 0.00 ATOM 559 C PHE A 70 29.679 41.435 -1.053 1.00 0.00 ATOM 560 N ILE A 71 30.050 40.642 -2.147 1.00 0.00 ATOM 561 CA ILE A 71 30.581 39.309 -1.907 1.00 0.00 ATOM 562 CB ILE A 71 31.274 38.740 -3.159 1.00 0.00 ATOM 563 CG1 ILE A 71 30.267 38.584 -4.301 1.00 0.00 ATOM 564 CG2 ILE A 71 31.878 37.376 -2.860 1.00 0.00 ATOM 565 CD1 ILE A 71 30.905 38.291 -5.642 1.00 0.00 ATOM 566 O ILE A 71 31.446 38.291 0.082 1.00 0.00 ATOM 567 C ILE A 71 31.539 39.215 -0.723 1.00 0.00 ATOM 568 N GLN A 72 32.446 40.213 -0.534 1.00 0.00 ATOM 569 CA GLN A 72 33.393 40.170 0.571 1.00 0.00 ATOM 570 CB GLN A 72 34.379 41.323 0.375 1.00 0.00 ATOM 571 CG GLN A 72 35.248 41.193 -0.866 1.00 0.00 ATOM 572 CD GLN A 72 36.184 42.370 -1.047 1.00 0.00 ATOM 573 OE1 GLN A 72 36.224 43.279 -0.217 1.00 0.00 ATOM 574 NE2 GLN A 72 36.944 42.359 -2.137 1.00 0.00 ATOM 575 O GLN A 72 33.554 39.836 2.935 1.00 0.00 ATOM 576 C GLN A 72 32.878 40.267 2.002 1.00 0.00 ATOM 577 N SER A 73 31.687 40.831 2.175 1.00 0.00 ATOM 578 CA SER A 73 31.104 40.994 3.504 1.00 0.00 ATOM 579 CB SER A 73 30.115 42.160 3.517 1.00 0.00 ATOM 580 OG SER A 73 30.772 43.389 3.259 1.00 0.00 ATOM 581 O SER A 73 29.972 39.671 5.147 1.00 0.00 ATOM 582 C SER A 73 30.345 39.760 3.979 1.00 0.00 ATOM 583 N PHE A 74 30.113 38.822 3.069 1.00 0.00 ATOM 584 CA PHE A 74 29.387 37.603 3.400 1.00 0.00 ATOM 585 CB PHE A 74 28.161 37.407 2.446 1.00 0.00 ATOM 586 CG PHE A 74 28.560 37.157 1.013 1.00 0.00 ATOM 587 CD1 PHE A 74 29.073 35.924 0.613 1.00 0.00 ATOM 588 CD2 PHE A 74 28.334 38.127 0.040 1.00 0.00 ATOM 589 CE1 PHE A 74 29.373 35.661 -0.737 1.00 0.00 ATOM 590 CE2 PHE A 74 28.628 37.876 -1.310 1.00 0.00 ATOM 591 CZ PHE A 74 29.140 36.639 -1.698 1.00 0.00 ATOM 592 O PHE A 74 31.249 36.249 2.729 1.00 0.00 ATOM 593 C PHE A 74 30.301 36.391 3.500 1.00 0.00 ATOM 594 N SER A 75 30.010 35.526 4.466 1.00 0.00 ATOM 595 CA SER A 75 30.775 34.306 4.679 1.00 0.00 ATOM 596 CB SER A 75 31.120 34.161 6.152 1.00 0.00 ATOM 597 OG SER A 75 32.074 35.141 6.520 1.00 0.00 ATOM 598 O SER A 75 28.849 32.910 5.009 1.00 0.00 ATOM 599 C SER A 75 29.843 33.155 4.318 1.00 0.00 ATOM 600 N LEU A 76 30.166 32.444 3.243 1.00 0.00 ATOM 601 CA LEU A 76 29.344 31.327 2.785 1.00 0.00 ATOM 602 CB LEU A 76 29.100 31.436 1.278 1.00 0.00 ATOM 603 CG LEU A 76 28.385 32.701 0.797 1.00 0.00 ATOM 604 CD1 LEU A 76 28.286 32.717 -0.720 1.00 0.00 ATOM 605 CD2 LEU A 76 26.976 32.772 1.366 1.00 0.00 ATOM 606 O LEU A 76 31.221 29.834 2.837 1.00 0.00 ATOM 607 C LEU A 76 30.028 30.013 3.108 1.00 0.00 ATOM 608 N LEU A 77 29.272 29.086 3.718 1.00 0.00 ATOM 609 CA LEU A 77 29.766 27.755 4.054 1.00 0.00 ATOM 610 CB LEU A 77 29.811 27.576 5.559 1.00 0.00 ATOM 611 CG LEU A 77 30.529 26.314 6.044 1.00 0.00 ATOM 612 CD1 LEU A 77 31.041 26.508 7.458 1.00 0.00 ATOM 613 CD2 LEU A 77 29.633 25.107 5.929 1.00 0.00 ATOM 614 O LEU A 77 27.665 26.680 3.650 1.00 0.00 ATOM 615 C LEU A 77 28.882 26.670 3.468 1.00 0.00 ATOM 616 N SER A 78 29.500 25.740 2.737 1.00 0.00 ATOM 617 CA SER A 78 28.756 24.651 2.141 1.00 0.00 ATOM 618 CB SER A 78 28.633 24.823 0.626 1.00 0.00 ATOM 619 OG SER A 78 29.896 24.695 -0.005 1.00 0.00 ATOM 620 O SER A 78 30.622 23.367 2.930 1.00 0.00 ATOM 621 C SER A 78 29.478 23.352 2.461 1.00 0.00 ATOM 622 N LEU A 79 28.359 22.121 2.780 1.00 0.00 ATOM 623 CA LEU A 79 28.982 20.863 3.163 1.00 0.00 ATOM 624 CB LEU A 79 28.311 20.323 4.440 1.00 0.00 ATOM 625 CG LEU A 79 28.561 21.093 5.735 1.00 0.00 ATOM 626 CD1 LEU A 79 28.154 22.524 5.590 1.00 0.00 ATOM 627 CD2 LEU A 79 27.775 20.411 6.854 1.00 0.00 ATOM 628 O LEU A 79 27.859 19.639 1.431 1.00 0.00 ATOM 629 C LEU A 79 28.877 19.765 2.120 1.00 0.00 ATOM 630 N GLU A 80 29.928 18.959 2.021 1.00 0.00 ATOM 631 CA GLU A 80 29.952 17.845 1.075 1.00 0.00 ATOM 632 CB GLU A 80 31.317 17.222 1.244 1.00 0.00 ATOM 633 CG GLU A 80 32.234 17.771 0.154 1.00 0.00 ATOM 634 CD GLU A 80 33.398 18.587 0.675 1.00 0.00 ATOM 635 OE1 GLU A 80 33.849 18.375 1.821 1.00 0.00 ATOM 636 OE2 GLU A 80 33.904 19.433 -0.085 1.00 0.00 ATOM 637 O GLU A 80 29.521 16.330 2.874 1.00 0.00 ATOM 638 C GLU A 80 29.265 16.644 1.715 1.00 0.00 ATOM 639 N ASP A 81 28.387 15.982 0.965 1.00 0.00 ATOM 640 CA ASP A 81 27.671 14.817 1.477 1.00 0.00 ATOM 641 CB ASP A 81 26.386 14.585 0.679 1.00 0.00 ATOM 642 CG ASP A 81 26.655 14.178 -0.756 1.00 0.00 ATOM 643 OD1 ASP A 81 27.792 13.753 -1.048 1.00 0.00 ATOM 644 OD2 ASP A 81 25.730 14.285 -1.587 1.00 0.00 ATOM 645 O ASP A 81 29.647 13.608 0.813 1.00 0.00 ATOM 646 C ASP A 81 28.551 13.562 1.372 1.00 0.00 ATOM 647 N PHE A 82 28.063 12.444 1.906 1.00 0.00 ATOM 648 CA PHE A 82 28.826 11.196 1.934 1.00 0.00 ATOM 649 CB PHE A 82 27.954 10.048 2.445 1.00 0.00 ATOM 650 CG PHE A 82 27.769 10.043 3.936 1.00 0.00 ATOM 651 CD1 PHE A 82 26.592 10.499 4.504 1.00 0.00 ATOM 652 CD2 PHE A 82 28.773 9.585 4.771 1.00 0.00 ATOM 653 CE1 PHE A 82 26.421 10.494 5.875 1.00 0.00 ATOM 654 CE2 PHE A 82 28.603 9.580 6.142 1.00 0.00 ATOM 655 CZ PHE A 82 27.434 10.033 6.695 1.00 0.00 ATOM 656 O PHE A 82 30.502 10.105 0.617 1.00 0.00 ATOM 657 C PHE A 82 29.408 10.666 0.620 1.00 0.00 ATOM 658 N GLU A 83 28.571 10.792 -0.503 1.00 0.00 ATOM 659 CA GLU A 83 28.996 10.239 -1.782 1.00 0.00 ATOM 660 CB GLU A 83 27.821 10.183 -2.759 1.00 0.00 ATOM 661 CG GLU A 83 27.301 11.549 -3.182 1.00 0.00 ATOM 662 CD GLU A 83 26.081 11.455 -4.077 1.00 0.00 ATOM 663 OE1 GLU A 83 25.634 10.323 -4.357 1.00 0.00 ATOM 664 OE2 GLU A 83 25.571 12.515 -4.498 1.00 0.00 ATOM 665 O GLU A 83 30.824 10.616 -3.301 1.00 0.00 ATOM 666 C GLU A 83 30.101 11.084 -2.421 1.00 0.00 ATOM 667 N ALA A 84 30.226 12.326 -1.995 1.00 0.00 ATOM 668 CA ALA A 84 31.245 13.241 -2.524 1.00 0.00 ATOM 669 CB ALA A 84 31.261 14.528 -1.706 1.00 0.00 ATOM 670 O ALA A 84 33.419 12.815 -3.433 1.00 0.00 ATOM 671 C ALA A 84 32.636 12.618 -2.504 1.00 0.00 ATOM 672 N GLU A 85 32.963 11.891 -1.454 1.00 0.00 ATOM 673 CA GLU A 85 34.307 11.362 -1.269 1.00 0.00 ATOM 674 CB GLU A 85 34.808 11.648 0.231 1.00 0.00 ATOM 675 CG GLU A 85 34.947 13.100 0.594 1.00 0.00 ATOM 676 CD GLU A 85 35.908 13.872 -0.301 1.00 0.00 ATOM 677 OE1 GLU A 85 36.910 13.296 -0.760 1.00 0.00 ATOM 678 OE2 GLU A 85 35.675 15.067 -0.567 1.00 0.00 ATOM 679 O GLU A 85 35.439 9.361 -1.976 1.00 0.00 ATOM 680 C GLU A 85 34.370 9.967 -1.888 1.00 0.00 ATOM 681 N LEU A 86 33.106 9.448 -2.235 1.00 0.00 ATOM 682 CA LEU A 86 33.009 8.093 -2.769 1.00 0.00 ATOM 683 CB LEU A 86 31.547 7.751 -3.064 1.00 0.00 ATOM 684 CG LEU A 86 31.269 6.331 -3.560 1.00 0.00 ATOM 685 CD1 LEU A 86 31.568 5.314 -2.470 1.00 0.00 ATOM 686 CD2 LEU A 86 29.812 6.178 -3.966 1.00 0.00 ATOM 687 O LEU A 86 34.049 9.038 -4.719 1.00 0.00 ATOM 688 C LEU A 86 33.771 8.020 -4.088 1.00 0.00 ATOM 689 N GLU A 87 34.146 6.805 -4.462 1.00 0.00 ATOM 690 CA GLU A 87 34.866 6.572 -5.715 1.00 0.00 ATOM 691 CB GLU A 87 34.889 5.079 -6.050 1.00 0.00 ATOM 692 CG GLU A 87 35.655 4.737 -7.317 1.00 0.00 ATOM 693 CD GLU A 87 35.681 3.250 -7.601 1.00 0.00 ATOM 694 OE1 GLU A 87 35.148 2.479 -6.776 1.00 0.00 ATOM 695 OE2 GLU A 87 36.235 2.853 -8.648 1.00 0.00 ATOM 696 O GLU A 87 33.065 7.135 -7.210 1.00 0.00 ATOM 697 C GLU A 87 34.257 7.279 -6.923 1.00 0.00 ATOM 698 N ASN A 88 35.089 8.057 -7.610 1.00 0.00 ATOM 699 CA ASN A 88 34.664 8.784 -8.798 1.00 0.00 ATOM 700 CB ASN A 88 33.983 7.837 -9.790 1.00 0.00 ATOM 701 CG ASN A 88 34.951 6.844 -10.403 1.00 0.00 ATOM 702 ND2 ASN A 88 34.447 5.663 -10.745 1.00 0.00 ATOM 703 OD1 ASN A 88 36.136 7.134 -10.567 1.00 0.00 ATOM 704 O ASN A 88 33.208 10.487 -9.595 1.00 0.00 ATOM 705 C ASN A 88 33.684 9.925 -8.609 1.00 0.00 ATOM 706 N LEU A 89 33.422 10.314 -7.365 1.00 0.00 ATOM 707 CA LEU A 89 32.466 11.388 -7.102 1.00 0.00 ATOM 708 CB LEU A 89 31.475 11.022 -6.013 1.00 0.00 ATOM 709 CG LEU A 89 30.536 9.872 -6.331 1.00 0.00 ATOM 710 CD1 LEU A 89 29.605 9.627 -5.176 1.00 0.00 ATOM 711 CD2 LEU A 89 29.719 10.154 -7.587 1.00 0.00 ATOM 712 O LEU A 89 32.366 13.760 -6.782 1.00 0.00 ATOM 713 C LEU A 89 33.074 12.751 -6.765 1.00 0.00 ATOM 714 N PRO A 90 34.556 12.536 -6.481 1.00 0.00 ATOM 715 CA PRO A 90 35.187 13.762 -6.000 1.00 0.00 ATOM 716 CB PRO A 90 36.592 13.318 -5.586 1.00 0.00 ATOM 717 CG PRO A 90 36.427 11.890 -5.182 1.00 0.00 ATOM 718 CD PRO A 90 35.459 11.289 -6.160 1.00 0.00 ATOM 719 O PRO A 90 34.923 16.040 -6.700 1.00 0.00 ATOM 720 C PRO A 90 35.302 14.907 -7.003 1.00 0.00 ATOM 721 N ALA A 91 35.826 14.626 -8.191 1.00 0.00 ATOM 722 CA ALA A 91 35.990 15.683 -9.179 1.00 0.00 ATOM 723 CB ALA A 91 36.534 15.112 -10.479 1.00 0.00 ATOM 724 O ALA A 91 34.592 17.598 -9.549 1.00 0.00 ATOM 725 C ALA A 91 34.664 16.369 -9.486 1.00 0.00 ATOM 726 N TRP A 92 33.618 15.573 -9.682 1.00 0.00 ATOM 727 CA TRP A 92 32.309 16.134 -9.963 1.00 0.00 ATOM 728 CB TRP A 92 31.272 15.021 -10.125 1.00 0.00 ATOM 729 CG TRP A 92 29.890 15.525 -10.411 1.00 0.00 ATOM 730 CD1 TRP A 92 28.825 15.525 -9.557 1.00 0.00 ATOM 731 CD2 TRP A 92 29.425 16.103 -11.635 1.00 0.00 ATOM 732 CE2 TRP A 92 28.066 16.430 -11.451 1.00 0.00 ATOM 733 CE3 TRP A 92 30.022 16.377 -12.869 1.00 0.00 ATOM 734 NE1 TRP A 92 27.723 16.068 -10.173 1.00 0.00 ATOM 735 CZ2 TRP A 92 27.297 17.017 -12.455 1.00 0.00 ATOM 736 CZ3 TRP A 92 29.255 16.958 -13.861 1.00 0.00 ATOM 737 CH2 TRP A 92 27.908 17.272 -13.652 1.00 0.00 ATOM 738 O TRP A 92 31.294 18.121 -9.081 1.00 0.00 ATOM 739 C TRP A 92 31.848 17.046 -8.841 1.00 0.00 ATOM 740 N TRP A 93 32.080 16.621 -7.600 1.00 0.00 ATOM 741 CA TRP A 93 31.689 17.414 -6.447 1.00 0.00 ATOM 742 CB TRP A 93 31.933 16.582 -5.147 1.00 0.00 ATOM 743 CG TRP A 93 31.365 17.270 -3.949 1.00 0.00 ATOM 744 CD1 TRP A 93 32.037 18.038 -3.029 1.00 0.00 ATOM 745 CD2 TRP A 93 29.984 17.331 -3.592 1.00 0.00 ATOM 746 CE2 TRP A 93 29.880 18.154 -2.450 1.00 0.00 ATOM 747 CE3 TRP A 93 28.812 16.770 -4.133 1.00 0.00 ATOM 748 NE1 TRP A 93 31.146 18.574 -2.125 1.00 0.00 ATOM 749 CZ2 TRP A 93 28.649 18.431 -1.834 1.00 0.00 ATOM 750 CZ3 TRP A 93 27.593 17.044 -3.518 1.00 0.00 ATOM 751 CH2 TRP A 93 27.523 17.866 -2.381 1.00 0.00 ATOM 752 O TRP A 93 31.795 19.787 -6.144 1.00 0.00 ATOM 753 C TRP A 93 32.403 18.755 -6.416 1.00 0.00 ATOM 754 N SER A 94 33.727 18.753 -6.698 1.00 0.00 ATOM 755 CA SER A 94 34.491 19.989 -6.745 1.00 0.00 ATOM 756 CB SER A 94 35.965 19.697 -7.030 1.00 0.00 ATOM 757 OG SER A 94 36.561 18.984 -5.961 1.00 0.00 ATOM 758 O SER A 94 33.850 22.126 -7.624 1.00 0.00 ATOM 759 C SER A 94 33.974 20.920 -7.837 1.00 0.00 ATOM 760 N ARG A 95 33.670 20.370 -9.008 1.00 0.00 ATOM 761 CA ARG A 95 33.170 21.204 -10.092 1.00 0.00 ATOM 762 CB ARG A 95 32.973 20.373 -11.362 1.00 0.00 ATOM 763 CG ARG A 95 34.267 19.927 -12.019 1.00 0.00 ATOM 764 CD ARG A 95 33.998 19.037 -13.221 1.00 0.00 ATOM 765 NE ARG A 95 35.234 18.580 -13.853 1.00 0.00 ATOM 766 CZ ARG A 95 35.284 17.705 -14.852 1.00 0.00 ATOM 767 NH1 ARG A 95 36.454 17.349 -15.363 1.00 0.00 ATOM 768 NH2 ARG A 95 34.163 17.191 -15.339 1.00 0.00 ATOM 769 O ARG A 95 31.573 22.994 -10.042 1.00 0.00 ATOM 770 C ARG A 95 31.840 21.836 -9.708 1.00 0.00 ATOM 771 N ASP A 96 31.032 21.111 -8.943 1.00 0.00 ATOM 772 CA ASP A 96 29.753 21.657 -8.507 1.00 0.00 ATOM 773 CB ASP A 96 28.917 20.575 -7.819 1.00 0.00 ATOM 774 CG ASP A 96 28.370 19.553 -8.796 1.00 0.00 ATOM 775 OD1 ASP A 96 28.424 19.809 -10.017 1.00 0.00 ATOM 776 OD2 ASP A 96 27.885 18.495 -8.340 1.00 0.00 ATOM 777 O ASP A 96 29.325 23.834 -7.585 1.00 0.00 ATOM 778 C ASP A 96 29.998 22.805 -7.524 1.00 0.00 ATOM 779 N LEU A 97 30.950 22.629 -6.610 1.00 0.00 ATOM 780 CA LEU A 97 31.275 23.673 -5.652 1.00 0.00 ATOM 781 CB LEU A 97 32.305 23.177 -4.647 1.00 0.00 ATOM 782 CG LEU A 97 31.791 22.061 -3.732 1.00 0.00 ATOM 783 CD1 LEU A 97 32.951 21.424 -2.984 1.00 0.00 ATOM 784 CD2 LEU A 97 30.773 22.621 -2.766 1.00 0.00 ATOM 785 O LEU A 97 31.407 26.042 -6.003 1.00 0.00 ATOM 786 C LEU A 97 31.802 24.927 -6.340 1.00 0.00 ATOM 787 N ALA A 98 32.693 24.736 -7.308 1.00 0.00 ATOM 788 CA ALA A 98 33.275 25.856 -8.041 1.00 0.00 ATOM 789 CB ALA A 98 34.273 25.338 -9.076 1.00 0.00 ATOM 790 O ALA A 98 32.225 27.920 -8.667 1.00 0.00 ATOM 791 C ALA A 98 32.191 26.693 -8.719 1.00 0.00 ATOM 792 N ARG A 99 31.221 26.030 -9.341 1.00 0.00 ATOM 793 CA ARG A 99 30.134 26.743 -10.012 1.00 0.00 ATOM 794 CB ARG A 99 29.234 25.759 -10.757 1.00 0.00 ATOM 795 CG ARG A 99 29.874 25.175 -11.998 1.00 0.00 ATOM 796 CD ARG A 99 28.964 24.169 -12.677 1.00 0.00 ATOM 797 NE ARG A 99 29.558 23.673 -13.912 1.00 0.00 ATOM 798 CZ ARG A 99 29.076 22.653 -14.617 1.00 0.00 ATOM 799 NH1 ARG A 99 27.989 22.015 -14.209 1.00 0.00 ATOM 800 NH2 ARG A 99 29.682 22.275 -15.732 1.00 0.00 ATOM 801 O ARG A 99 28.938 28.701 -9.306 1.00 0.00 ATOM 802 C ARG A 99 29.306 27.558 -9.025 1.00 0.00 ATOM 803 N LYS A 100 29.016 26.973 -7.868 1.00 0.00 ATOM 804 CA LYS A 100 28.238 27.661 -6.844 1.00 0.00 ATOM 805 CB LYS A 100 27.198 26.628 -6.271 1.00 0.00 ATOM 806 CG LYS A 100 26.150 26.143 -7.249 1.00 0.00 ATOM 807 CD LYS A 100 25.259 27.318 -7.717 1.00 0.00 ATOM 808 CE LYS A 100 23.910 26.909 -8.227 1.00 0.00 ATOM 809 NZ LYS A 100 23.133 28.128 -8.675 1.00 0.00 ATOM 810 O LYS A 100 28.414 29.143 -4.958 1.00 0.00 ATOM 811 C LYS A 100 28.985 28.629 -5.928 1.00 0.00 ATOM 812 N ASP A 101 30.303 28.714 -6.137 1.00 0.00 ATOM 813 CA ASP A 101 31.136 29.649 -5.391 1.00 0.00 ATOM 814 CB ASP A 101 30.640 31.014 -5.390 1.00 0.00 ATOM 815 CG ASP A 101 31.387 31.693 -6.534 1.00 0.00 ATOM 816 OD1 ASP A 101 32.551 32.053 -6.472 1.00 0.00 ATOM 817 OD2 ASP A 101 30.669 31.830 -7.631 1.00 0.00 ATOM 818 O ASP A 101 30.201 29.208 -3.194 1.00 0.00 ATOM 819 C ASP A 101 31.244 29.404 -3.855 1.00 0.00 ATOM 820 N PHE A 102 32.428 29.173 -3.032 1.00 0.00 ATOM 821 CA PHE A 102 32.587 28.908 -1.597 1.00 0.00 ATOM 822 CB PHE A 102 31.965 27.598 -1.113 1.00 0.00 ATOM 823 CG PHE A 102 30.730 27.197 -1.868 1.00 0.00 ATOM 824 CD1 PHE A 102 30.789 26.234 -2.859 1.00 0.00 ATOM 825 CD2 PHE A 102 29.508 27.785 -1.588 1.00 0.00 ATOM 826 CE1 PHE A 102 29.652 25.865 -3.555 1.00 0.00 ATOM 827 CE2 PHE A 102 28.372 27.417 -2.284 1.00 0.00 ATOM 828 CZ PHE A 102 28.441 26.462 -3.263 1.00 0.00 ATOM 829 O PHE A 102 34.796 29.811 -1.422 1.00 0.00 ATOM 830 C PHE A 102 33.735 29.640 -0.858 1.00 0.00 ATOM 831 N LEU A 103 33.327 30.064 0.349 1.00 0.00 ATOM 832 CA LEU A 103 34.317 30.574 1.328 1.00 0.00 ATOM 833 CB LEU A 103 33.719 31.674 2.207 1.00 0.00 ATOM 834 CG LEU A 103 33.306 32.962 1.493 1.00 0.00 ATOM 835 CD1 LEU A 103 32.635 33.923 2.464 1.00 0.00 ATOM 836 CD2 LEU A 103 34.519 33.659 0.896 1.00 0.00 ATOM 837 O LEU A 103 35.971 29.038 2.130 1.00 0.00 ATOM 838 C LEU A 103 34.792 29.399 2.171 1.00 0.00 ATOM 839 N PHE A 104 33.792 28.696 2.978 1.00 0.00 ATOM 840 CA PHE A 104 34.175 27.619 3.884 1.00 0.00 ATOM 841 CB PHE A 104 33.696 27.905 5.311 1.00 0.00 ATOM 842 CG PHE A 104 34.248 29.173 5.865 1.00 0.00 ATOM 843 CD1 PHE A 104 33.518 30.348 5.798 1.00 0.00 ATOM 844 CD2 PHE A 104 35.528 29.207 6.398 1.00 0.00 ATOM 845 CE1 PHE A 104 34.044 31.529 6.280 1.00 0.00 ATOM 846 CE2 PHE A 104 36.058 30.388 6.878 1.00 0.00 ATOM 847 CZ PHE A 104 35.311 31.550 6.820 1.00 0.00 ATOM 848 O PHE A 104 32.349 26.347 2.990 1.00 0.00 ATOM 849 C PHE A 104 33.532 26.350 3.332 1.00 0.00 ATOM 850 N TYR A 105 34.319 25.280 3.231 1.00 0.00 ATOM 851 CA TYR A 105 33.824 24.001 2.729 1.00 0.00 ATOM 852 CB TYR A 105 34.833 23.487 1.740 1.00 0.00 ATOM 853 CG TYR A 105 34.495 24.008 0.357 1.00 0.00 ATOM 854 CD1 TYR A 105 33.576 23.350 -0.459 1.00 0.00 ATOM 855 CD2 TYR A 105 35.116 25.142 -0.172 1.00 0.00 ATOM 856 CE1 TYR A 105 33.274 23.806 -1.735 1.00 0.00 ATOM 857 CE2 TYR A 105 34.829 25.607 -1.440 1.00 0.00 ATOM 858 CZ TYR A 105 33.907 24.936 -2.241 1.00 0.00 ATOM 859 OH TYR A 105 33.680 25.411 -3.500 1.00 0.00 ATOM 860 O TYR A 105 35.085 23.095 4.568 1.00 0.00 ATOM 861 C TYR A 105 34.028 23.072 3.931 1.00 0.00 ATOM 862 N THR A 106 33.033 22.214 4.220 1.00 0.00 ATOM 863 CA THR A 106 33.208 21.239 5.282 1.00 0.00 ATOM 864 CB THR A 106 32.232 21.546 6.430 1.00 0.00 ATOM 865 CG2 THR A 106 30.784 21.607 5.957 1.00 0.00 ATOM 866 OG1 THR A 106 32.351 20.520 7.414 1.00 0.00 ATOM 867 O THR A 106 32.040 19.610 3.982 1.00 0.00 ATOM 868 C THR A 106 32.840 19.823 4.889 1.00 0.00 ATOM 869 N GLU A 107 33.461 18.849 5.545 1.00 0.00 ATOM 870 CA GLU A 107 33.087 17.458 5.329 1.00 0.00 ATOM 871 CB GLU A 107 33.996 16.583 5.965 1.00 0.00 ATOM 872 CG GLU A 107 34.846 16.088 4.802 1.00 0.00 ATOM 873 CD GLU A 107 34.127 15.086 3.926 1.00 0.00 ATOM 874 OE1 GLU A 107 33.074 15.442 3.355 1.00 0.00 ATOM 875 OE2 GLU A 107 34.613 13.942 3.805 1.00 0.00 ATOM 876 O GLU A 107 32.028 17.549 7.484 1.00 0.00 ATOM 877 C GLU A 107 31.876 17.382 6.276 1.00 0.00 ATOM 878 N GLY A 108 30.683 17.137 5.739 1.00 0.00 ATOM 879 CA GLY A 108 29.458 17.103 6.547 1.00 0.00 ATOM 880 O GLY A 108 28.819 16.131 8.644 1.00 0.00 ATOM 881 C GLY A 108 29.500 16.031 7.625 1.00 0.00 ATOM 882 N LEU A 109 30.295 14.917 7.291 1.00 0.00 ATOM 883 CA LEU A 109 30.471 13.784 8.200 1.00 0.00 ATOM 884 CB LEU A 109 29.435 12.696 7.910 1.00 0.00 ATOM 885 CG LEU A 109 27.968 13.088 8.100 1.00 0.00 ATOM 886 CD1 LEU A 109 27.048 12.049 7.479 1.00 0.00 ATOM 887 CD2 LEU A 109 27.630 13.201 9.579 1.00 0.00 ATOM 888 O LEU A 109 32.568 13.669 7.040 1.00 0.00 ATOM 889 C LEU A 109 31.879 13.249 7.969 1.00 0.00 ATOM 890 N ASP A 110 32.334 12.328 8.827 1.00 0.00 ATOM 891 CA ASP A 110 33.671 11.746 8.666 1.00 0.00 ATOM 892 CB ASP A 110 34.329 11.528 10.031 1.00 0.00 ATOM 893 CG ASP A 110 33.542 10.576 10.909 1.00 0.00 ATOM 894 OD1 ASP A 110 32.439 10.160 10.499 1.00 0.00 ATOM 895 OD2 ASP A 110 34.032 10.244 12.010 1.00 0.00 ATOM 896 O ASP A 110 34.616 9.817 7.576 1.00 0.00 ATOM 897 C ASP A 110 33.592 10.394 7.949 1.00 0.00 ATOM 898 N VAL A 111 32.276 9.994 7.699 1.00 0.00 ATOM 899 CA VAL A 111 32.050 8.671 7.112 1.00 0.00 ATOM 900 CB VAL A 111 30.983 7.882 7.892 1.00 0.00 ATOM 901 CG1 VAL A 111 30.738 6.530 7.242 1.00 0.00 ATOM 902 CG2 VAL A 111 31.433 7.650 9.327 1.00 0.00 ATOM 903 O VAL A 111 30.731 9.480 5.275 1.00 0.00 ATOM 904 C VAL A 111 31.657 8.752 5.642 1.00 0.00 ATOM 905 N ASP A 112 32.360 7.938 4.807 1.00 0.00 ATOM 906 CA ASP A 112 32.084 7.919 3.377 1.00 0.00 ATOM 907 CB ASP A 112 33.356 7.616 2.585 1.00 0.00 ATOM 908 CG ASP A 112 34.437 8.614 2.884 1.00 0.00 ATOM 909 OD1 ASP A 112 34.199 9.813 2.643 1.00 0.00 ATOM 910 OD2 ASP A 112 35.544 8.302 3.382 1.00 0.00 ATOM 911 O ASP A 112 31.269 5.672 3.691 1.00 0.00 ATOM 912 C ASP A 112 31.164 6.733 3.074 1.00 0.00 ATOM 913 N GLN A 113 30.360 7.034 2.285 1.00 0.00 ATOM 914 CA GLN A 113 29.375 6.072 1.783 1.00 0.00 ATOM 915 CB GLN A 113 27.987 6.385 2.347 1.00 0.00 ATOM 916 CG GLN A 113 27.888 6.252 3.857 1.00 0.00 ATOM 917 CD GLN A 113 28.033 4.818 4.328 1.00 0.00 ATOM 918 OE1 GLN A 113 27.616 3.886 3.642 1.00 0.00 ATOM 919 NE2 GLN A 113 28.625 4.640 5.504 1.00 0.00 ATOM 920 O GLN A 113 29.559 7.329 -0.285 1.00 0.00 ATOM 921 C GLN A 113 29.260 6.235 0.263 1.00 0.00 ATOM 922 N VAL A 114 28.644 5.138 -0.428 1.00 0.00 ATOM 923 CA VAL A 114 28.339 5.130 -1.855 1.00 0.00 ATOM 924 CB VAL A 114 28.126 3.707 -2.404 1.00 0.00 ATOM 925 CG1 VAL A 114 29.332 2.831 -2.098 1.00 0.00 ATOM 926 CG2 VAL A 114 26.897 3.071 -1.772 1.00 0.00 ATOM 927 O VAL A 114 26.510 6.508 -1.153 1.00 0.00 ATOM 928 C VAL A 114 27.089 5.986 -2.100 1.00 0.00 ATOM 929 N ILE A 115 26.683 6.123 -3.360 1.00 0.00 ATOM 930 CA ILE A 115 25.531 6.942 -3.757 1.00 0.00 ATOM 931 CB ILE A 115 25.084 6.629 -5.196 1.00 0.00 ATOM 932 CG1 ILE A 115 26.150 7.080 -6.198 1.00 0.00 ATOM 933 CG2 ILE A 115 23.783 7.349 -5.520 1.00 0.00 ATOM 934 CD1 ILE A 115 25.923 6.570 -7.604 1.00 0.00 ATOM 935 O ILE A 115 23.871 7.807 -2.236 1.00 0.00 ATOM 936 C ILE A 115 24.312 6.820 -2.848 1.00 0.00 ATOM 937 N ALA A 116 23.707 5.684 -2.742 1.00 0.00 ATOM 938 CA ALA A 116 22.453 5.499 -2.034 1.00 0.00 ATOM 939 CB ALA A 116 21.577 4.433 -2.674 1.00 0.00 ATOM 940 O ALA A 116 21.745 4.688 0.114 1.00 0.00 ATOM 941 C ALA A 116 22.675 5.106 -0.582 1.00 0.00 ATOM 942 N THR A 117 23.915 5.256 -0.133 1.00 0.00 ATOM 943 CA THR A 117 24.286 4.932 1.234 1.00 0.00 ATOM 944 CB THR A 117 23.576 5.848 2.247 1.00 0.00 ATOM 945 CG2 THR A 117 23.947 7.303 2.000 1.00 0.00 ATOM 946 OG1 THR A 117 22.157 5.703 2.117 1.00 0.00 ATOM 947 O THR A 117 23.548 3.217 2.749 1.00 0.00 ATOM 948 C THR A 117 23.928 3.502 1.609 1.00 0.00 ATOM 949 N VAL A 118 24.047 2.600 0.641 1.00 0.00 ATOM 950 CA VAL A 118 23.754 1.193 0.887 1.00 0.00 ATOM 951 CB VAL A 118 23.118 0.525 -0.346 1.00 0.00 ATOM 952 CG1 VAL A 118 21.828 1.235 -0.730 1.00 0.00 ATOM 953 CG2 VAL A 118 24.068 0.580 -1.531 1.00 0.00 ATOM 954 O VAL A 118 24.976 -0.698 1.729 1.00 0.00 ATOM 955 C VAL A 118 25.033 0.429 1.231 1.00 0.00 ATOM 956 N GLU A 119 26.111 1.192 0.757 1.00 0.00 ATOM 957 CA GLU A 119 27.406 0.590 1.078 1.00 0.00 ATOM 958 CB GLU A 119 28.075 0.051 -0.188 1.00 0.00 ATOM 959 CG GLU A 119 27.286 -1.040 -0.892 1.00 0.00 ATOM 960 CD GLU A 119 27.999 -1.575 -2.119 1.00 0.00 ATOM 961 OE1 GLU A 119 29.099 -1.075 -2.432 1.00 0.00 ATOM 962 OE2 GLU A 119 27.457 -2.495 -2.766 1.00 0.00 ATOM 963 O GLU A 119 28.441 2.732 1.348 1.00 0.00 ATOM 964 C GLU A 119 28.372 1.564 1.728 1.00 0.00 ATOM 965 N SER A 120 29.104 1.078 2.723 1.00 0.00 ATOM 966 CA SER A 120 30.090 1.895 3.415 1.00 0.00 ATOM 967 CB SER A 120 30.410 1.302 4.789 1.00 0.00 ATOM 968 OG SER A 120 31.076 0.057 4.664 1.00 0.00 ATOM 969 O SER A 120 31.709 0.979 1.898 1.00 0.00 ATOM 970 C SER A 120 31.364 1.944 2.580 1.00 0.00 ATOM 971 N LEU A 121 32.048 3.079 2.618 1.00 0.00 ATOM 972 CA LEU A 121 33.323 3.210 1.927 1.00 0.00 ATOM 973 CB LEU A 121 33.328 4.222 0.781 1.00 0.00 ATOM 974 CG LEU A 121 34.701 4.680 0.258 1.00 0.00 ATOM 975 CD1 LEU A 121 35.346 3.561 -0.565 1.00 0.00 ATOM 976 CD2 LEU A 121 34.560 5.929 -0.606 1.00 0.00 ATOM 977 O LEU A 121 34.211 4.592 3.672 1.00 0.00 ATOM 978 C LEU A 121 34.290 3.529 3.055 1.00 0.00 ATOM 979 N GLU A 122 35.154 2.566 3.359 1.00 0.00 ATOM 980 CA GLU A 122 36.115 2.695 4.444 1.00 0.00 ATOM 981 CB GLU A 122 36.680 1.324 4.824 1.00 0.00 ATOM 982 CG GLU A 122 35.640 0.349 5.351 1.00 0.00 ATOM 983 CD GLU A 122 36.196 -1.049 5.539 1.00 0.00 ATOM 984 OE1 GLU A 122 37.378 -1.270 5.202 1.00 0.00 ATOM 985 OE2 GLU A 122 35.448 -1.925 6.024 1.00 0.00 ATOM 986 O GLU A 122 38.452 3.125 4.169 1.00 0.00 ATOM 987 C GLU A 122 37.308 3.577 4.121 1.00 0.00 ATOM 988 N LEU A 123 37.041 4.836 3.799 1.00 0.00 ATOM 989 CA LEU A 123 38.104 5.782 3.496 1.00 0.00 ATOM 990 CB LEU A 123 37.635 6.802 2.457 1.00 0.00 ATOM 991 CG LEU A 123 38.648 7.875 2.057 1.00 0.00 ATOM 992 CD1 LEU A 123 39.867 7.246 1.399 1.00 0.00 ATOM 993 CD2 LEU A 123 38.030 8.856 1.071 1.00 0.00 ATOM 994 O LEU A 123 37.665 7.225 5.365 1.00 0.00 ATOM 995 C LEU A 123 38.474 6.493 4.793 1.00 0.00 ATOM 996 N LYS A 124 39.697 6.271 5.296 1.00 0.00 ATOM 997 CA LYS A 124 40.110 6.921 6.545 1.00 0.00 ATOM 998 CB LYS A 124 41.571 6.599 6.860 1.00 0.00 ATOM 999 CG LYS A 124 41.828 5.136 7.182 1.00 0.00 ATOM 1000 CD LYS A 124 43.293 4.891 7.507 1.00 0.00 ATOM 1001 CE LYS A 124 43.554 3.424 7.808 1.00 0.00 ATOM 1002 NZ LYS A 124 44.983 3.172 8.145 1.00 0.00 ATOM 1003 O LYS A 124 40.131 9.041 5.424 1.00 0.00 ATOM 1004 C LYS A 124 39.985 8.439 6.489 1.00 0.00 ATOM 1005 N ASP A 125 39.697 9.056 7.630 1.00 0.00 ATOM 1006 CA ASP A 125 39.547 10.506 7.672 1.00 0.00 ATOM 1007 CB ASP A 125 39.279 10.977 9.103 1.00 0.00 ATOM 1008 CG ASP A 125 37.885 10.625 9.582 1.00 0.00 ATOM 1009 OD1 ASP A 125 37.052 10.225 8.742 1.00 0.00 ATOM 1010 OD2 ASP A 125 37.625 10.750 10.797 1.00 0.00 ATOM 1011 O ASP A 125 40.757 12.371 6.775 1.00 0.00 ATOM 1012 C ASP A 125 40.809 11.210 7.186 1.00 0.00 ATOM 1013 N GLU A 126 41.943 10.514 7.227 1.00 0.00 ATOM 1014 CA GLU A 126 43.184 11.116 6.755 1.00 0.00 ATOM 1015 CB GLU A 126 44.373 10.203 7.057 1.00 0.00 ATOM 1016 CG GLU A 126 44.725 10.111 8.534 1.00 0.00 ATOM 1017 CD GLU A 126 45.825 9.104 8.808 1.00 0.00 ATOM 1018 OE1 GLU A 126 46.263 8.427 7.855 1.00 0.00 ATOM 1019 OE2 GLU A 126 46.249 8.994 9.978 1.00 0.00 ATOM 1020 O GLU A 126 43.513 12.361 4.730 1.00 0.00 ATOM 1021 C GLU A 126 43.091 11.326 5.244 1.00 0.00 ATOM 1022 N VAL A 127 42.531 10.349 4.537 1.00 0.00 ATOM 1023 CA VAL A 127 42.389 10.454 3.089 1.00 0.00 ATOM 1024 CB VAL A 127 41.947 9.117 2.466 1.00 0.00 ATOM 1025 CG1 VAL A 127 41.630 9.297 0.990 1.00 0.00 ATOM 1026 CG2 VAL A 127 43.048 8.078 2.599 1.00 0.00 ATOM 1027 O VAL A 127 41.492 12.222 1.730 1.00 0.00 ATOM 1028 C VAL A 127 41.352 11.507 2.729 1.00 0.00 ATOM 1029 N LEU A 128 40.308 11.600 3.548 1.00 0.00 ATOM 1030 CA LEU A 128 39.254 12.583 3.331 1.00 0.00 ATOM 1031 CB LEU A 128 38.176 12.567 4.343 1.00 0.00 ATOM 1032 CG LEU A 128 37.259 11.370 4.177 1.00 0.00 ATOM 1033 CD1 LEU A 128 36.238 11.355 5.312 1.00 0.00 ATOM 1034 CD2 LEU A 128 36.542 11.341 2.812 1.00 0.00 ATOM 1035 O LEU A 128 39.603 14.851 2.647 1.00 0.00 ATOM 1036 C LEU A 128 39.843 13.980 3.468 1.00 0.00 ATOM 1037 N TYR A 129 40.545 14.198 4.541 1.00 0.00 ATOM 1038 CA TYR A 129 41.190 15.490 4.793 1.00 0.00 ATOM 1039 CB TYR A 129 41.879 15.386 6.250 1.00 0.00 ATOM 1040 CG TYR A 129 42.726 16.588 6.499 1.00 0.00 ATOM 1041 CD1 TYR A 129 42.172 17.857 6.705 1.00 0.00 ATOM 1042 CD2 TYR A 129 44.112 16.490 6.415 1.00 0.00 ATOM 1043 CE1 TYR A 129 42.983 18.982 6.862 1.00 0.00 ATOM 1044 CE2 TYR A 129 44.944 17.616 6.566 1.00 0.00 ATOM 1045 CZ TYR A 129 44.373 18.855 6.802 1.00 0.00 ATOM 1046 OH TYR A 129 45.180 19.951 6.965 1.00 0.00 ATOM 1047 O TYR A 129 42.244 17.115 3.371 1.00 0.00 ATOM 1048 C TYR A 129 42.167 15.928 3.696 1.00 0.00 ATOM 1049 N PHE A 130 42.914 14.989 3.122 1.00 0.00 ATOM 1050 CA PHE A 130 43.847 15.359 2.065 1.00 0.00 ATOM 1051 CB PHE A 130 44.569 14.121 1.529 1.00 0.00 ATOM 1052 CG PHE A 130 45.645 14.433 0.529 1.00 0.00 ATOM 1053 CD1 PHE A 130 46.851 14.977 0.935 1.00 0.00 ATOM 1054 CD2 PHE A 130 45.451 14.183 -0.819 1.00 0.00 ATOM 1055 CE1 PHE A 130 47.841 15.263 0.014 1.00 0.00 ATOM 1056 CE2 PHE A 130 46.441 14.469 -1.739 1.00 0.00 ATOM 1057 CZ PHE A 130 47.632 15.008 -1.328 1.00 0.00 ATOM 1058 O PHE A 130 43.651 16.907 0.237 1.00 0.00 ATOM 1059 C PHE A 130 43.103 16.029 0.905 1.00 0.00 ATOM 1060 N GLY A 131 41.867 15.609 0.643 1.00 0.00 ATOM 1061 CA GLY A 131 41.106 16.230 -0.439 1.00 0.00 ATOM 1062 O GLY A 131 40.617 18.533 -0.943 1.00 0.00 ATOM 1063 C GLY A 131 40.701 17.660 -0.076 1.00 0.00 ATOM 1064 N LYS A 132 40.441 17.897 1.206 1.00 0.00 ATOM 1065 CA LYS A 132 40.065 19.231 1.656 1.00 0.00 ATOM 1066 CB LYS A 132 39.583 19.192 3.107 1.00 0.00 ATOM 1067 CG LYS A 132 38.231 18.520 3.294 1.00 0.00 ATOM 1068 CD LYS A 132 37.749 18.643 4.730 1.00 0.00 ATOM 1069 CE LYS A 132 38.551 17.750 5.662 1.00 0.00 ATOM 1070 NZ LYS A 132 38.025 17.786 7.055 1.00 0.00 ATOM 1071 O LYS A 132 41.256 21.258 1.238 1.00 0.00 ATOM 1072 C LYS A 132 41.319 20.058 1.563 1.00 0.00 ATOM 1073 N LEU A 133 42.587 19.497 1.716 1.00 0.00 ATOM 1074 CA LEU A 133 43.841 20.243 1.579 1.00 0.00 ATOM 1075 CB LEU A 133 45.029 19.317 1.807 1.00 0.00 ATOM 1076 CG LEU A 133 46.416 19.988 1.726 1.00 0.00 ATOM 1077 CD1 LEU A 133 46.497 21.207 2.622 1.00 0.00 ATOM 1078 CD2 LEU A 133 47.537 19.025 2.095 1.00 0.00 ATOM 1079 O LEU A 133 44.306 21.864 -0.156 1.00 0.00 ATOM 1080 C LEU A 133 43.984 20.700 0.125 1.00 0.00 ATOM 1081 N GLY A 134 43.757 19.777 -0.810 1.00 0.00 ATOM 1082 CA GLY A 134 43.868 20.060 -2.231 1.00 0.00 ATOM 1083 O GLY A 134 43.431 22.121 -3.371 1.00 0.00 ATOM 1084 C GLY A 134 42.973 21.180 -2.720 1.00 0.00 ATOM 1085 N ILE A 135 41.680 21.111 -2.426 1.00 0.00 ATOM 1086 CA ILE A 135 40.722 22.133 -2.824 1.00 0.00 ATOM 1087 CB ILE A 135 39.273 21.784 -2.433 1.00 0.00 ATOM 1088 CG1 ILE A 135 38.797 20.551 -3.203 1.00 0.00 ATOM 1089 CG2 ILE A 135 38.342 22.943 -2.754 1.00 0.00 ATOM 1090 CD1 ILE A 135 37.489 19.983 -2.697 1.00 0.00 ATOM 1091 O ILE A 135 40.873 24.531 -2.853 1.00 0.00 ATOM 1092 C ILE A 135 41.057 23.494 -2.215 1.00 0.00 ATOM 1093 N PHE A 136 41.460 23.442 -0.882 1.00 0.00 ATOM 1094 CA PHE A 136 41.842 24.677 -0.203 1.00 0.00 ATOM 1095 CB PHE A 136 42.312 24.381 1.223 1.00 0.00 ATOM 1096 CG PHE A 136 42.749 25.600 1.983 1.00 0.00 ATOM 1097 CD1 PHE A 136 41.815 26.459 2.539 1.00 0.00 ATOM 1098 CD2 PHE A 136 44.092 25.891 2.141 1.00 0.00 ATOM 1099 CE1 PHE A 136 42.217 27.581 3.238 1.00 0.00 ATOM 1100 CE2 PHE A 136 44.495 27.013 2.840 1.00 0.00 ATOM 1101 CZ PHE A 136 43.564 27.856 3.387 1.00 0.00 ATOM 1102 O PHE A 136 42.933 26.525 -1.286 1.00 0.00 ATOM 1103 C PHE A 136 42.979 25.334 -0.984 1.00 0.00 ATOM 1104 N TRP A 137 43.995 24.548 -1.319 1.00 0.00 ATOM 1105 CA TRP A 137 45.138 25.076 -2.056 1.00 0.00 ATOM 1106 CB TRP A 137 46.221 24.005 -2.203 1.00 0.00 ATOM 1107 CG TRP A 137 47.476 24.505 -2.850 1.00 0.00 ATOM 1108 CD1 TRP A 137 47.961 24.154 -4.077 1.00 0.00 ATOM 1109 CD2 TRP A 137 48.405 25.450 -2.306 1.00 0.00 ATOM 1110 CE2 TRP A 137 49.430 25.624 -3.258 1.00 0.00 ATOM 1111 CE3 TRP A 137 48.471 26.167 -1.107 1.00 0.00 ATOM 1112 NE1 TRP A 137 49.135 24.820 -4.331 1.00 0.00 ATOM 1113 CZ2 TRP A 137 50.507 26.482 -3.047 1.00 0.00 ATOM 1114 CZ3 TRP A 137 49.542 27.017 -0.904 1.00 0.00 ATOM 1115 CH2 TRP A 137 50.546 27.171 -1.865 1.00 0.00 ATOM 1116 O TRP A 137 45.370 26.423 -4.023 1.00 0.00 ATOM 1117 C TRP A 137 44.738 25.533 -3.456 1.00 0.00 ATOM 1118 N GLY A 138 43.560 24.919 -4.012 1.00 0.00 ATOM 1119 CA GLY A 138 43.089 25.304 -5.341 1.00 0.00 ATOM 1120 O GLY A 138 42.015 27.204 -6.335 1.00 0.00 ATOM 1121 C GLY A 138 42.356 26.641 -5.295 1.00 0.00 ATOM 1122 N LYS A 139 42.103 27.135 -4.088 1.00 0.00 ATOM 1123 CA LYS A 139 41.416 28.404 -3.936 1.00 0.00 ATOM 1124 CB LYS A 139 42.369 29.513 -4.545 1.00 0.00 ATOM 1125 CG LYS A 139 43.684 29.687 -3.799 1.00 0.00 ATOM 1126 CD LYS A 139 44.517 30.807 -4.385 1.00 0.00 ATOM 1127 CE LYS A 139 45.776 31.034 -3.569 1.00 0.00 ATOM 1128 NZ LYS A 139 46.622 32.104 -4.167 1.00 0.00 ATOM 1129 O LYS A 139 39.259 29.414 -4.159 1.00 0.00 ATOM 1130 C LYS A 139 39.903 28.368 -4.054 1.00 0.00 ATOM 1131 N PHE A 140 39.329 27.170 -4.038 1.00 0.00 ATOM 1132 CA PHE A 140 37.881 27.003 -4.142 1.00 0.00 ATOM 1133 CB PHE A 140 37.533 25.570 -4.553 1.00 0.00 ATOM 1134 CG PHE A 140 37.862 25.254 -5.984 1.00 0.00 ATOM 1135 CD1 PHE A 140 39.027 24.582 -6.310 1.00 0.00 ATOM 1136 CD2 PHE A 140 37.006 25.629 -7.005 1.00 0.00 ATOM 1137 CE1 PHE A 140 39.330 24.291 -7.627 1.00 0.00 ATOM 1138 CE2 PHE A 140 37.308 25.338 -8.322 1.00 0.00 ATOM 1139 CZ PHE A 140 38.463 24.672 -8.635 1.00 0.00 ATOM 1140 O PHE A 140 35.975 27.372 -2.779 1.00 0.00 ATOM 1141 C PHE A 140 37.182 27.245 -2.819 1.00 0.00 ATOM 1142 N SER A 141 38.000 27.285 -1.691 1.00 0.00 ATOM 1143 CA SER A 141 37.404 27.477 -0.377 1.00 0.00 ATOM 1144 CB SER A 141 37.093 26.136 0.288 1.00 0.00 ATOM 1145 OG SER A 141 36.759 26.307 1.658 1.00 0.00 ATOM 1146 O SER A 141 39.627 27.939 0.380 1.00 0.00 ATOM 1147 C SER A 141 38.444 28.278 0.400 1.00 0.00 ATOM 1148 N GLU A 142 38.016 29.357 1.051 1.00 0.00 ATOM 1149 CA GLU A 142 38.934 30.205 1.812 1.00 0.00 ATOM 1150 CB GLU A 142 38.306 31.669 1.767 1.00 0.00 ATOM 1151 CG GLU A 142 39.015 32.711 2.603 1.00 0.00 ATOM 1152 CD GLU A 142 38.387 34.098 2.457 1.00 0.00 ATOM 1153 OE1 GLU A 142 37.343 34.244 1.758 1.00 0.00 ATOM 1154 OE2 GLU A 142 38.967 35.031 3.014 1.00 0.00 ATOM 1155 O GLU A 142 40.406 29.909 3.658 1.00 0.00 ATOM 1156 C GLU A 142 39.379 29.538 3.093 1.00 0.00 ATOM 1157 N GLU A 143 38.613 28.511 3.533 1.00 0.00 ATOM 1158 CA GLU A 143 38.937 27.804 4.772 1.00 0.00 ATOM 1159 CB GLU A 143 38.393 28.585 5.970 1.00 0.00 ATOM 1160 CG GLU A 143 38.584 27.886 7.305 1.00 0.00 ATOM 1161 CD GLU A 143 38.035 28.690 8.467 1.00 0.00 ATOM 1162 OE1 GLU A 143 38.447 29.858 8.630 1.00 0.00 ATOM 1163 OE2 GLU A 143 37.192 28.153 9.216 1.00 0.00 ATOM 1164 O GLU A 143 37.232 26.310 3.985 1.00 0.00 ATOM 1165 C GLU A 143 38.235 26.454 4.692 1.00 0.00 ATOM 1166 N SER A 144 38.772 25.454 5.384 1.00 0.00 ATOM 1167 CA SER A 144 38.180 24.126 5.367 1.00 0.00 ATOM 1168 CB SER A 144 39.068 23.173 4.566 1.00 0.00 ATOM 1169 OG SER A 144 39.174 23.588 3.215 1.00 0.00 ATOM 1170 O SER A 144 38.963 23.844 7.642 1.00 0.00 ATOM 1171 C SER A 144 38.079 23.599 6.795 1.00 0.00 ATOM 1172 N TYR A 145 37.064 22.732 6.964 1.00 0.00 ATOM 1173 CA TYR A 145 36.848 22.064 8.233 1.00 0.00 ATOM 1174 CB TYR A 145 36.128 23.052 9.233 1.00 0.00 ATOM 1175 CG TYR A 145 34.624 23.190 8.972 1.00 0.00 ATOM 1176 CD1 TYR A 145 34.139 23.805 7.809 1.00 0.00 ATOM 1177 CD2 TYR A 145 33.700 22.739 9.899 1.00 0.00 ATOM 1178 CE1 TYR A 145 32.786 23.945 7.599 1.00 0.00 ATOM 1179 CE2 TYR A 145 32.344 22.892 9.703 1.00 0.00 ATOM 1180 CZ TYR A 145 31.905 23.488 8.549 1.00 0.00 ATOM 1181 OH TYR A 145 30.547 23.596 8.367 1.00 0.00 ATOM 1182 O TYR A 145 35.625 20.363 7.085 1.00 0.00 ATOM 1183 C TYR A 145 36.030 20.786 8.138 1.00 0.00 ATOM 1184 N SER A 146 35.602 20.415 9.433 1.00 0.00 ATOM 1185 CA SER A 146 34.710 19.271 9.527 1.00 0.00 ATOM 1186 CB SER A 146 35.568 17.988 9.829 1.00 0.00 ATOM 1187 OG SER A 146 35.884 17.985 11.211 1.00 0.00 ATOM 1188 O SER A 146 33.595 20.195 11.391 1.00 0.00 ATOM 1189 C SER A 146 33.534 19.372 10.500 1.00 0.00 ATOM 1190 N LYS A 147 32.517 18.526 10.251 1.00 0.00 ATOM 1191 CA LYS A 147 31.353 18.518 11.133 1.00 0.00 ATOM 1192 CB LYS A 147 30.174 19.039 10.309 1.00 0.00 ATOM 1193 CG LYS A 147 28.885 19.197 11.099 1.00 0.00 ATOM 1194 CD LYS A 147 27.784 19.802 10.245 1.00 0.00 ATOM 1195 CE LYS A 147 26.496 19.964 11.038 1.00 0.00 ATOM 1196 NZ LYS A 147 25.404 20.545 10.209 1.00 0.00 ATOM 1197 O LYS A 147 31.234 16.132 10.859 1.00 0.00 ATOM 1198 C LYS A 147 31.043 17.091 11.602 1.00 0.00 ATOM 1199 N THR A 148 30.476 17.107 12.878 1.00 0.00 ATOM 1200 CA THR A 148 30.124 15.837 13.521 1.00 0.00 ATOM 1201 CB THR A 148 29.137 14.965 12.632 1.00 0.00 ATOM 1202 CG2 THR A 148 27.777 15.673 12.402 1.00 0.00 ATOM 1203 OG1 THR A 148 29.753 14.716 11.372 1.00 0.00 ATOM 1204 O THR A 148 31.044 13.772 14.302 1.00 0.00 ATOM 1205 C THR A 148 31.270 14.874 13.806 1.00 0.00 ATOM 1206 N ALA A 149 32.520 15.287 13.462 1.00 0.00 ATOM 1207 CA ALA A 149 33.662 14.422 13.737 1.00 0.00 ATOM 1208 CB ALA A 149 34.795 14.712 12.703 1.00 0.00 ATOM 1209 O ALA A 149 33.705 15.425 15.936 1.00 0.00 ATOM 1210 C ALA A 149 33.983 14.448 15.210 1.00 0.00 ATOM 1211 N TYR A 150 34.658 13.397 15.681 1.00 0.00 ATOM 1212 CA TYR A 150 35.087 13.287 17.078 1.00 0.00 ATOM 1213 CB TYR A 150 34.939 11.878 17.657 1.00 0.00 ATOM 1214 CG TYR A 150 33.508 11.396 17.736 1.00 0.00 ATOM 1215 CD1 TYR A 150 32.964 10.615 16.724 1.00 0.00 ATOM 1216 CD2 TYR A 150 32.707 11.724 18.822 1.00 0.00 ATOM 1217 CE1 TYR A 150 31.657 10.169 16.788 1.00 0.00 ATOM 1218 CE2 TYR A 150 31.397 11.288 18.903 1.00 0.00 ATOM 1219 CZ TYR A 150 30.877 10.505 17.874 1.00 0.00 ATOM 1220 OH TYR A 150 29.574 10.062 17.939 1.00 0.00 ATOM 1221 O TYR A 150 37.207 13.867 16.115 1.00 0.00 ATOM 1222 C TYR A 150 36.558 13.708 17.149 1.00 0.00 ATOM 1223 N HIS A 151 37.072 13.907 18.357 1.00 0.00 ATOM 1224 CA HIS A 151 38.452 14.346 18.542 1.00 0.00 ATOM 1225 CB HIS A 151 38.806 14.394 20.030 1.00 0.00 ATOM 1226 CG HIS A 151 40.206 14.843 20.305 1.00 0.00 ATOM 1227 CD2 HIS A 151 41.431 14.203 20.761 1.00 0.00 ATOM 1228 ND1 HIS A 151 40.615 16.149 20.140 1.00 0.00 ATOM 1229 CE1 HIS A 151 41.917 16.245 20.463 1.00 0.00 ATOM 1230 NE2 HIS A 151 42.413 15.082 20.836 1.00 0.00 ATOM 1231 O HIS A 151 40.499 13.950 17.371 1.00 0.00 ATOM 1232 C HIS A 151 39.496 13.452 17.881 1.00 0.00 ATOM 1233 N LYS A 152 39.277 12.068 18.134 1.00 0.00 ATOM 1234 CA LYS A 152 40.219 11.133 17.527 1.00 0.00 ATOM 1235 CB LYS A 152 39.814 9.689 17.836 1.00 0.00 ATOM 1236 CG LYS A 152 40.010 9.289 19.289 1.00 0.00 ATOM 1237 CD LYS A 152 39.593 7.845 19.524 1.00 0.00 ATOM 1238 CE LYS A 152 39.766 7.451 20.982 1.00 0.00 ATOM 1239 NZ LYS A 152 39.329 6.051 21.234 1.00 0.00 ATOM 1240 O LYS A 152 41.341 11.164 15.409 1.00 0.00 ATOM 1241 C LYS A 152 40.274 11.284 16.011 1.00 0.00 ATOM 1242 N TYR A 153 39.120 11.524 15.395 1.00 0.00 ATOM 1243 CA TYR A 153 39.061 11.693 13.947 1.00 0.00 ATOM 1244 CB TYR A 153 37.607 11.761 13.475 1.00 0.00 ATOM 1245 CG TYR A 153 36.895 10.428 13.491 1.00 0.00 ATOM 1246 CD1 TYR A 153 35.967 10.130 14.481 1.00 0.00 ATOM 1247 CD2 TYR A 153 37.153 9.471 12.519 1.00 0.00 ATOM 1248 CE1 TYR A 153 35.311 8.913 14.504 1.00 0.00 ATOM 1249 CE2 TYR A 153 36.507 8.249 12.526 1.00 0.00 ATOM 1250 CZ TYR A 153 35.578 7.976 13.529 1.00 0.00 ATOM 1251 OH TYR A 153 34.928 6.765 13.552 1.00 0.00 ATOM 1252 O TYR A 153 40.611 12.943 12.603 1.00 0.00 ATOM 1253 C TYR A 153 39.843 12.948 13.566 1.00 0.00 ATOM 1254 N LEU A 154 39.575 14.029 14.287 1.00 0.00 ATOM 1255 CA LEU A 154 40.231 15.304 14.019 1.00 0.00 ATOM 1256 CB LEU A 154 39.660 16.397 14.945 1.00 0.00 ATOM 1257 CG LEU A 154 38.149 16.627 14.892 1.00 0.00 ATOM 1258 CD1 LEU A 154 37.800 17.815 15.779 1.00 0.00 ATOM 1259 CD2 LEU A 154 37.704 16.885 13.462 1.00 0.00 ATOM 1260 O LEU A 154 42.541 15.637 13.411 1.00 0.00 ATOM 1261 C LEU A 154 41.734 15.147 14.232 1.00 0.00 ATOM 1262 N LEU A 155 42.165 14.473 15.350 1.00 0.00 ATOM 1263 CA LEU A 155 43.583 14.313 15.687 1.00 0.00 ATOM 1264 CB LEU A 155 43.747 13.511 16.979 1.00 0.00 ATOM 1265 CG LEU A 155 45.181 13.308 17.473 1.00 0.00 ATOM 1266 CD1 LEU A 155 45.839 14.646 17.776 1.00 0.00 ATOM 1267 CD2 LEU A 155 45.199 12.471 18.743 1.00 0.00 ATOM 1268 O LEU A 155 45.506 13.892 14.317 1.00 0.00 ATOM 1269 C LEU A 155 44.350 13.575 14.595 1.00 0.00 ATOM 1270 N LYS A 156 43.705 12.592 13.963 1.00 0.00 ATOM 1271 CA LYS A 156 44.359 11.848 12.892 1.00 0.00 ATOM 1272 CB LYS A 156 43.494 10.658 12.472 1.00 0.00 ATOM 1273 CG LYS A 156 43.423 9.547 13.507 1.00 0.00 ATOM 1274 CD LYS A 156 42.544 8.403 13.028 1.00 0.00 ATOM 1275 CE LYS A 156 42.474 7.291 14.063 1.00 0.00 ATOM 1276 NZ LYS A 156 41.594 6.175 13.620 1.00 0.00 ATOM 1277 O LYS A 156 45.677 12.727 11.087 1.00 0.00 ATOM 1278 C LYS A 156 44.616 12.774 11.712 1.00 0.00 ATOM 1279 N VAL A 157 43.640 13.600 11.382 1.00 0.00 ATOM 1280 CA VAL A 157 43.779 14.602 10.320 1.00 0.00 ATOM 1281 CB VAL A 157 42.415 15.279 10.140 1.00 0.00 ATOM 1282 CG1 VAL A 157 42.564 16.463 9.153 1.00 0.00 ATOM 1283 CG2 VAL A 157 41.407 14.270 9.607 1.00 0.00 ATOM 1284 O VAL A 157 45.695 15.929 9.730 1.00 0.00 ATOM 1285 C VAL A 157 44.886 15.616 10.607 1.00 0.00 ATOM 1286 N PRO A 158 44.943 16.202 11.895 1.00 0.00 ATOM 1287 CA PRO A 158 45.982 17.159 12.278 1.00 0.00 ATOM 1288 CB PRO A 158 45.559 17.523 13.717 1.00 0.00 ATOM 1289 CG PRO A 158 44.066 17.391 13.675 1.00 0.00 ATOM 1290 CD PRO A 158 43.877 16.109 12.892 1.00 0.00 ATOM 1291 O PRO A 158 48.316 17.252 11.752 1.00 0.00 ATOM 1292 C PRO A 158 47.381 16.574 12.178 1.00 0.00 ATOM 1293 N PHE A 159 47.511 15.307 12.563 1.00 0.00 ATOM 1294 CA PHE A 159 48.791 14.610 12.553 1.00 0.00 ATOM 1295 CB PHE A 159 48.618 13.166 13.031 1.00 0.00 ATOM 1296 CG PHE A 159 49.915 12.451 13.280 1.00 0.00 ATOM 1297 CD1 PHE A 159 50.694 12.760 14.382 1.00 0.00 ATOM 1298 CD2 PHE A 159 50.358 11.470 12.411 1.00 0.00 ATOM 1299 CE1 PHE A 159 51.887 12.102 14.610 1.00 0.00 ATOM 1300 CE2 PHE A 159 51.553 10.812 12.639 1.00 0.00 ATOM 1301 CZ PHE A 159 52.316 11.124 13.732 1.00 0.00 ATOM 1302 O PHE A 159 50.658 14.311 11.089 1.00 0.00 ATOM 1303 C PHE A 159 49.454 14.532 11.181 1.00 0.00 ATOM 1304 N TYR A 160 48.656 14.677 10.119 1.00 0.00 ATOM 1305 CA TYR A 160 49.189 14.613 8.761 1.00 0.00 ATOM 1306 CB TYR A 160 48.057 15.212 7.701 1.00 0.00 ATOM 1307 CG TYR A 160 47.764 14.430 6.445 1.00 0.00 ATOM 1308 CD1 TYR A 160 46.563 13.740 6.302 1.00 0.00 ATOM 1309 CD2 TYR A 160 48.740 14.288 5.434 1.00 0.00 ATOM 1310 CE1 TYR A 160 46.321 12.951 5.147 1.00 0.00 ATOM 1311 CE2 TYR A 160 48.496 13.509 4.300 1.00 0.00 ATOM 1312 CZ TYR A 160 47.295 12.853 4.186 1.00 0.00 ATOM 1313 OH TYR A 160 47.038 12.077 3.077 1.00 0.00 ATOM 1314 O TYR A 160 50.989 15.615 7.541 1.00 0.00 ATOM 1315 C TYR A 160 50.183 15.729 8.462 1.00 0.00 ATOM 1316 N ARG A 161 50.123 16.975 9.094 1.00 0.00 ATOM 1317 CA ARG A 161 51.019 18.091 8.865 1.00 0.00 ATOM 1318 CB ARG A 161 52.448 17.594 8.638 1.00 0.00 ATOM 1319 CG ARG A 161 53.054 16.880 9.836 1.00 0.00 ATOM 1320 CD ARG A 161 54.483 16.443 9.554 1.00 0.00 ATOM 1321 NE ARG A 161 55.065 15.716 10.678 1.00 0.00 ATOM 1322 CZ ARG A 161 56.279 15.178 10.671 1.00 0.00 ATOM 1323 NH1 ARG A 161 56.726 14.535 11.741 1.00 0.00 ATOM 1324 NH2 ARG A 161 57.046 15.284 9.594 1.00 0.00 ATOM 1325 O ARG A 161 51.487 19.623 7.090 1.00 0.00 ATOM 1326 C ARG A 161 50.645 18.925 7.654 1.00 0.00 ATOM 1327 N HIS A 162 49.385 18.847 7.241 1.00 0.00 ATOM 1328 CA HIS A 162 48.908 19.622 6.102 1.00 0.00 ATOM 1329 CB HIS A 162 47.969 18.779 5.237 1.00 0.00 ATOM 1330 CG HIS A 162 48.650 17.651 4.528 1.00 0.00 ATOM 1331 CD2 HIS A 162 50.030 17.276 4.259 1.00 0.00 ATOM 1332 ND1 HIS A 162 47.956 16.627 3.919 1.00 0.00 ATOM 1333 CE1 HIS A 162 48.834 15.769 3.371 1.00 0.00 ATOM 1334 NE2 HIS A 162 50.081 16.153 3.569 1.00 0.00 ATOM 1335 O HIS A 162 48.520 21.327 7.748 1.00 0.00 ATOM 1336 C HIS A 162 48.237 20.891 6.627 1.00 0.00 ATOM 1337 N ILE A 163 47.106 21.308 5.866 1.00 0.00 ATOM 1338 CA ILE A 163 46.463 22.557 6.278 1.00 0.00 ATOM 1339 CB ILE A 163 45.456 22.946 5.193 1.00 0.00 ATOM 1340 CG1 ILE A 163 46.202 23.483 3.942 1.00 0.00 ATOM 1341 CG2 ILE A 163 44.354 23.947 5.784 1.00 0.00 ATOM 1342 CD1 ILE A 163 45.318 23.677 2.781 1.00 0.00 ATOM 1343 O ILE A 163 45.126 21.103 7.645 1.00 0.00 ATOM 1344 C ILE A 163 45.735 22.169 7.565 1.00 0.00 ATOM 1345 N THR A 164 45.820 23.009 8.604 1.00 0.00 ATOM 1346 CA THR A 164 45.140 22.697 9.865 1.00 0.00 ATOM 1347 CB THR A 164 45.505 23.707 10.968 1.00 0.00 ATOM 1348 CG2 THR A 164 47.008 23.718 11.204 1.00 0.00 ATOM 1349 OG1 THR A 164 45.086 25.020 10.576 1.00 0.00 ATOM 1350 O THR A 164 43.094 23.346 8.784 1.00 0.00 ATOM 1351 C THR A 164 43.620 22.728 9.711 1.00 0.00 ATOM 1352 N ILE A 165 42.922 22.037 10.604 1.00 0.00 ATOM 1353 CA ILE A 165 41.465 22.056 10.588 1.00 0.00 ATOM 1354 CB ILE A 165 40.876 20.906 11.427 1.00 0.00 ATOM 1355 CG1 ILE A 165 41.292 19.554 10.845 1.00 0.00 ATOM 1356 CG2 ILE A 165 39.357 20.980 11.439 1.00 0.00 ATOM 1357 CD1 ILE A 165 40.954 18.377 11.733 1.00 0.00 ATOM 1358 O ILE A 165 41.521 23.719 12.315 1.00 0.00 ATOM 1359 C ILE A 165 41.129 23.426 11.188 1.00 0.00 ATOM 1360 N ARG A 166 40.405 24.263 10.446 1.00 0.00 ATOM 1361 CA ARG A 166 40.083 25.612 10.924 1.00 0.00 ATOM 1362 CB ARG A 166 39.897 26.569 9.744 1.00 0.00 ATOM 1363 CG ARG A 166 41.139 26.748 8.889 1.00 0.00 ATOM 1364 CD ARG A 166 42.231 27.486 9.648 1.00 0.00 ATOM 1365 NE ARG A 166 43.443 27.645 8.847 1.00 0.00 ATOM 1366 CZ ARG A 166 43.608 28.581 7.919 1.00 0.00 ATOM 1367 NH1 ARG A 166 44.745 28.649 7.240 1.00 0.00 ATOM 1368 NH2 ARG A 166 42.635 29.448 7.670 1.00 0.00 ATOM 1369 O ARG A 166 38.669 26.596 12.591 1.00 0.00 ATOM 1370 C ARG A 166 38.808 25.702 11.753 1.00 0.00 ATOM 1371 N ASN A 167 37.810 24.803 11.323 1.00 0.00 ATOM 1372 CA ASN A 167 36.548 24.821 12.057 1.00 0.00 ATOM 1373 CB ASN A 167 35.535 25.575 11.881 1.00 0.00 ATOM 1374 CG ASN A 167 35.487 26.437 13.123 1.00 0.00 ATOM 1375 ND2 ASN A 167 34.622 27.432 13.093 1.00 0.00 ATOM 1376 OD1 ASN A 167 36.212 26.215 14.100 1.00 0.00 ATOM 1377 O ASN A 167 36.170 22.531 11.427 1.00 0.00 ATOM 1378 C ASN A 167 35.949 23.429 12.241 1.00 0.00 ATOM 1379 N ALA A 168 35.211 23.258 13.334 1.00 0.00 ATOM 1380 CA ALA A 168 34.520 22.011 13.643 1.00 0.00 ATOM 1381 CB ALA A 168 35.198 21.303 14.805 1.00 0.00 ATOM 1382 O ALA A 168 32.875 23.187 14.932 1.00 0.00 ATOM 1383 C ALA A 168 33.092 22.402 14.008 1.00 0.00 ATOM 1384 N LYS A 169 32.126 21.872 13.265 1.00 0.00 ATOM 1385 CA LYS A 169 30.724 22.166 13.515 1.00 0.00 ATOM 1386 CB LYS A 169 30.190 22.863 12.244 1.00 0.00 ATOM 1387 CG LYS A 169 28.935 23.653 12.395 1.00 0.00 ATOM 1388 CD LYS A 169 29.117 25.032 13.023 1.00 0.00 ATOM 1389 CE LYS A 169 27.728 25.646 13.089 1.00 0.00 ATOM 1390 NZ LYS A 169 27.579 26.915 13.803 1.00 0.00 ATOM 1391 O LYS A 169 29.993 19.884 13.480 1.00 0.00 ATOM 1392 C LYS A 169 30.070 20.939 14.117 1.00 0.00 ATOM 1393 N THR A 170 29.561 21.083 15.337 1.00 0.00 ATOM 1394 CA THR A 170 28.928 19.965 16.025 1.00 0.00 ATOM 1395 CB THR A 170 29.889 19.306 17.032 1.00 0.00 ATOM 1396 CG2 THR A 170 31.174 18.877 16.340 1.00 0.00 ATOM 1397 OG1 THR A 170 30.210 20.237 18.073 1.00 0.00 ATOM 1398 O THR A 170 27.429 21.581 16.989 1.00 0.00 ATOM 1399 C THR A 170 27.693 20.391 16.807 1.00 0.00 ATOM 1400 N PHE A 171 26.919 19.399 17.247 1.00 0.00 ATOM 1401 CA PHE A 171 25.752 19.652 18.046 1.00 0.00 ATOM 1402 CB PHE A 171 25.031 18.318 18.355 1.00 0.00 ATOM 1403 CG PHE A 171 23.882 18.458 19.312 1.00 0.00 ATOM 1404 CD1 PHE A 171 22.707 19.096 18.925 1.00 0.00 ATOM 1405 CD2 PHE A 171 23.979 17.959 20.607 1.00 0.00 ATOM 1406 CE1 PHE A 171 21.639 19.238 19.816 1.00 0.00 ATOM 1407 CE2 PHE A 171 22.919 18.094 21.508 1.00 0.00 ATOM 1408 CZ PHE A 171 21.750 18.733 21.110 1.00 0.00 ATOM 1409 O PHE A 171 25.404 21.328 19.707 1.00 0.00 ATOM 1410 C PHE A 171 26.072 20.365 19.334 1.00 0.00 ATOM 1411 N ASP A 172 27.056 19.843 20.054 1.00 0.00 ATOM 1412 CA ASP A 172 27.267 20.421 21.387 1.00 0.00 ATOM 1413 CB ASP A 172 28.329 19.673 22.152 1.00 0.00 ATOM 1414 CG ASP A 172 27.870 18.339 22.731 1.00 0.00 ATOM 1415 OD1 ASP A 172 26.650 18.110 22.749 1.00 0.00 ATOM 1416 OD2 ASP A 172 28.733 17.548 23.171 1.00 0.00 ATOM 1417 O ASP A 172 27.184 22.677 22.124 1.00 0.00 ATOM 1418 C ASP A 172 27.656 21.897 21.323 1.00 0.00 ATOM 1419 N LYS A 173 28.523 22.230 20.375 1.00 0.00 ATOM 1420 CA LYS A 173 28.957 23.623 20.229 1.00 0.00 ATOM 1421 CB LYS A 173 30.041 23.703 19.148 1.00 0.00 ATOM 1422 CG LYS A 173 30.607 25.098 18.941 1.00 0.00 ATOM 1423 CD LYS A 173 31.679 25.098 17.862 1.00 0.00 ATOM 1424 CE LYS A 173 32.234 26.498 17.637 1.00 0.00 ATOM 1425 NZ LYS A 173 32.857 27.053 18.873 1.00 0.00 ATOM 1426 O LYS A 173 27.589 25.590 20.391 1.00 0.00 ATOM 1427 C LYS A 173 27.763 24.496 19.872 1.00 0.00 ATOM 1428 N ILE A 174 26.936 24.028 18.958 1.00 0.00 ATOM 1429 CA ILE A 174 25.779 24.796 18.538 1.00 0.00 ATOM 1430 CB ILE A 174 25.131 24.084 17.315 1.00 0.00 ATOM 1431 CG1 ILE A 174 26.087 24.172 16.115 1.00 0.00 ATOM 1432 CG2 ILE A 174 23.768 24.692 16.996 1.00 0.00 ATOM 1433 CD1 ILE A 174 25.633 23.303 14.928 1.00 0.00 ATOM 1434 O ILE A 174 24.243 26.063 19.892 1.00 0.00 ATOM 1435 C ILE A 174 24.774 24.977 19.655 1.00 0.00 ATOM 1436 N GLY A 175 24.491 23.906 20.384 1.00 0.00 ATOM 1437 CA GLY A 175 23.586 23.962 21.495 1.00 0.00 ATOM 1438 O GLY A 175 23.313 25.723 23.118 1.00 0.00 ATOM 1439 C GLY A 175 24.086 24.947 22.554 1.00 0.00 ATOM 1440 N GLN A 176 25.373 24.890 22.825 1.00 0.00 ATOM 1441 CA GLN A 176 25.955 25.768 23.830 1.00 0.00 ATOM 1442 CB GLN A 176 27.414 25.384 24.101 1.00 0.00 ATOM 1443 CG GLN A 176 27.554 24.041 24.812 1.00 0.00 ATOM 1444 CD GLN A 176 28.989 23.701 25.163 1.00 0.00 ATOM 1445 OE1 GLN A 176 29.845 23.582 24.286 1.00 0.00 ATOM 1446 NE2 GLN A 176 29.256 23.537 26.455 1.00 0.00 ATOM 1447 O GLN A 176 25.540 28.085 24.243 1.00 0.00 ATOM 1448 C GLN A 176 25.858 27.231 23.417 1.00 0.00 ATOM 1449 N MET A 177 26.087 27.512 22.138 1.00 0.00 ATOM 1450 CA MET A 177 26.001 28.883 21.639 1.00 0.00 ATOM 1451 CB MET A 177 26.521 28.978 20.200 1.00 0.00 ATOM 1452 CG MET A 177 28.028 28.842 20.066 1.00 0.00 ATOM 1453 SD MET A 177 28.632 29.220 18.264 1.00 0.00 ATOM 1454 CE MET A 177 28.474 27.438 17.538 1.00 0.00 ATOM 1455 O MET A 177 24.297 30.525 22.013 1.00 0.00 ATOM 1456 C MET A 177 24.561 29.374 21.679 1.00 0.00 ATOM 1457 N LEU A 178 23.631 28.495 21.314 1.00 0.00 ATOM 1458 CA LEU A 178 22.213 28.852 21.306 1.00 0.00 ATOM 1459 CB LEU A 178 21.377 27.704 20.707 1.00 0.00 ATOM 1460 CG LEU A 178 21.625 27.514 19.203 1.00 0.00 ATOM 1461 CD1 LEU A 178 21.063 26.181 18.723 1.00 0.00 ATOM 1462 CD2 LEU A 178 21.023 28.680 18.404 1.00 0.00 ATOM 1463 O LEU A 178 21.030 30.179 22.928 1.00 0.00 ATOM 1464 C LEU A 178 21.765 29.214 22.725 1.00 0.00 ATOM 1465 N LYS A 179 22.223 28.440 23.709 1.00 0.00 ATOM 1466 CA LYS A 179 21.855 28.720 25.098 1.00 0.00 ATOM 1467 CB LYS A 179 22.392 27.611 26.012 1.00 0.00 ATOM 1468 CG LYS A 179 21.677 26.280 25.852 1.00 0.00 ATOM 1469 CD LYS A 179 22.122 25.301 26.960 1.00 0.00 ATOM 1470 CE LYS A 179 21.275 24.019 26.961 1.00 0.00 ATOM 1471 NZ LYS A 179 21.600 23.084 28.092 1.00 0.00 ATOM 1472 O LYS A 179 21.895 30.861 26.205 1.00 0.00 ATOM 1473 C LYS A 179 22.479 30.063 25.461 1.00 0.00 ATOM 1474 N LYS A 180 23.681 30.289 24.939 1.00 0.00 ATOM 1475 CA LYS A 180 24.393 31.532 25.175 1.00 0.00 ATOM 1476 CB LYS A 180 25.854 31.359 24.629 1.00 0.00 ATOM 1477 CG LYS A 180 26.757 32.560 24.878 1.00 0.00 ATOM 1478 CD LYS A 180 28.144 32.355 24.284 1.00 0.00 ATOM 1479 CE LYS A 180 29.047 33.544 24.603 1.00 0.00 ATOM 1480 NZ LYS A 180 30.368 33.442 23.923 1.00 0.00 ATOM 1481 O LYS A 180 23.582 33.783 25.088 1.00 0.00 ATOM 1482 C LYS A 180 23.668 32.694 24.520 1.00 0.00 ENDMDL EXPDTA 2hiyA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hiyA ATOM 1 N MET A 1 10.421 22.904 2.342 1.00 0.00 ATOM 2 CA MET A 1 11.089 23.834 3.256 1.00 0.00 ATOM 3 CB MET A 1 10.202 24.200 4.446 1.00 0.00 ATOM 4 CG MET A 1 9.084 25.166 4.094 1.00 0.00 ATOM 5 SD MET A 1 9.657 27.034 4.205 1.00 0.00 ATOM 6 CE MET A 1 9.097 27.422 6.043 1.00 0.00 ATOM 7 O MET A 1 12.366 22.058 4.241 1.00 0.00 ATOM 8 C MET A 1 12.370 23.175 3.730 1.00 0.00 ATOM 9 N THR A 2 13.475 23.870 3.524 1.00 0.00 ATOM 10 CA THR A 2 14.793 23.299 3.746 1.00 0.00 ATOM 11 CB THR A 2 15.488 23.115 2.405 1.00 0.00 ATOM 12 CG2 THR A 2 16.903 22.564 2.572 1.00 0.00 ATOM 13 OG1 THR A 2 14.722 22.196 1.617 1.00 0.00 ATOM 14 O THR A 2 15.474 25.485 4.457 1.00 0.00 ATOM 15 C THR A 2 15.566 24.260 4.634 1.00 0.00 ATOM 16 N ARG A 3 16.308 23.699 5.584 1.00 0.00 ATOM 17 CA ARG A 3 17.149 24.485 6.468 1.00 0.00 ATOM 18 CB ARG A 3 17.169 23.862 7.867 1.00 0.00 ATOM 19 CG ARG A 3 17.790 24.715 8.963 1.00 0.00 ATOM 20 CD ARG A 3 16.884 25.823 9.415 1.00 0.00 ATOM 21 NE ARG A 3 17.451 26.583 10.522 1.00 0.00 ATOM 22 CZ ARG A 3 17.117 27.845 10.768 1.00 0.00 ATOM 23 NH1 ARG A 3 16.245 28.451 9.990 1.00 0.00 ATOM 24 NH2 ARG A 3 17.654 28.503 11.790 1.00 0.00 ATOM 25 O ARG A 3 19.083 23.431 5.460 1.00 0.00 ATOM 26 C ARG A 3 18.559 24.490 5.861 1.00 0.00 ATOM 27 N TYR A 4 19.140 25.688 5.790 1.00 0.00 ATOM 28 CA TYR A 4 20.460 25.916 5.186 1.00 0.00 ATOM 29 CB TYR A 4 20.345 26.874 3.994 1.00 0.00 ATOM 30 CG TYR A 4 19.628 26.300 2.807 1.00 0.00 ATOM 31 CD1 TYR A 4 20.303 25.566 1.834 1.00 0.00 ATOM 32 CD2 TYR A 4 18.263 26.521 2.646 1.00 0.00 ATOM 33 CE1 TYR A 4 19.614 25.036 0.735 1.00 0.00 ATOM 34 CE2 TYR A 4 17.584 26.003 1.575 1.00 0.00 ATOM 35 CZ TYR A 4 18.251 25.287 0.619 1.00 0.00 ATOM 36 OH TYR A 4 17.522 24.773 -0.438 1.00 0.00 ATOM 37 O TYR A 4 21.009 27.340 7.037 1.00 0.00 ATOM 38 C TYR A 4 21.424 26.564 6.148 1.00 0.00 ATOM 39 N ALA A 5 22.707 26.260 5.947 1.00 0.00 ATOM 40 CA ALA A 5 23.806 26.993 6.549 1.00 0.00 ATOM 41 CB ALA A 5 24.813 26.008 7.179 1.00 0.00 ATOM 42 O ALA A 5 24.765 27.244 4.364 1.00 0.00 ATOM 43 C ALA A 5 24.481 27.786 5.443 1.00 0.00 ATOM 44 N LEU A 6 24.717 29.061 5.735 1.00 0.00 ATOM 45 CA LEU A 6 25.369 29.999 4.832 1.00 0.00 ATOM 46 CB LEU A 6 24.433 31.199 4.601 1.00 0.00 ATOM 47 CG LEU A 6 25.028 32.438 3.926 1.00 0.00 ATOM 48 CD1 LEU A 6 25.557 32.154 2.547 1.00 0.00 ATOM 49 CD2 LEU A 6 23.972 33.548 3.859 1.00 0.00 ATOM 50 O LEU A 6 26.560 31.091 6.628 1.00 0.00 ATOM 51 C LEU A 6 26.635 30.444 5.573 1.00 0.00 ATOM 52 N LEU A 7 27.806 30.077 5.031 1.00 0.00 ATOM 53 CA LEU A 7 29.085 30.349 5.702 1.00 0.00 ATOM 54 CB LEU A 7 29.845 29.039 5.984 1.00 0.00 ATOM 55 CG LEU A 7 29.023 27.883 6.534 1.00 0.00 ATOM 56 CD1 LEU A 7 29.924 26.641 6.620 1.00 0.00 ATOM 57 CD2 LEU A 7 28.440 28.196 7.888 1.00 0.00 ATOM 58 O LEU A 7 29.998 31.025 3.612 1.00 0.00 ATOM 59 C LEU A 7 29.921 31.243 4.820 1.00 0.00 ATOM 60 N VAL A 8 30.521 32.258 5.420 1.00 0.00 ATOM 61 CA VAL A 8 31.318 33.230 4.654 1.00 0.00 ATOM 62 CB VAL A 8 30.617 34.614 4.530 1.00 0.00 ATOM 63 CG1 VAL A 8 29.278 34.471 3.802 1.00 0.00 ATOM 64 CG2 VAL A 8 30.422 35.273 5.873 1.00 0.00 ATOM 65 O VAL A 8 32.885 33.194 6.462 1.00 0.00 ATOM 66 C VAL A 8 32.702 33.347 5.266 1.00 0.00 ATOM 67 N ARG A 9 33.687 33.603 4.417 1.00 0.00 ATOM 68 CA ARG A 9 35.065 33.776 4.900 1.00 0.00 ATOM 69 CB ARG A 9 36.048 33.045 3.978 1.00 0.00 ATOM 70 CG ARG A 9 36.080 33.622 2.584 1.00 0.00 ATOM 71 CD ARG A 9 37.458 33.724 1.913 1.00 0.00 ATOM 72 NE ARG A 9 38.609 33.750 2.814 1.00 0.00 ATOM 73 CZ ARG A 9 39.376 34.812 3.080 1.00 0.00 ATOM 74 NH1 ARG A 9 40.393 34.692 3.922 1.00 0.00 ATOM 75 NH2 ARG A 9 39.142 35.972 2.514 1.00 0.00 ATOM 76 O ARG A 9 34.838 36.093 4.259 1.00 0.00 ATOM 77 C ARG A 9 35.435 35.253 4.957 1.00 0.00 ATOM 78 N GLY A 10 36.400 35.574 5.802 1.00 0.00 ATOM 79 CA GLY A 10 37.095 36.857 5.748 1.00 0.00 ATOM 80 O GLY A 10 36.905 39.191 6.249 1.00 0.00 ATOM 81 C GLY A 10 36.414 38.066 6.380 1.00 0.00 ATOM 82 N ILE A 11 35.325 37.854 7.111 1.00 0.00 ATOM 83 CA ILE A 11 34.614 38.968 7.710 1.00 0.00 ATOM 84 CB ILE A 11 33.079 38.827 7.554 1.00 0.00 ATOM 85 CG1 ILE A 11 32.526 37.738 8.480 1.00 0.00 ATOM 86 CG2 ILE A 11 32.706 38.647 6.091 1.00 0.00 ATOM 87 CD1 ILE A 11 30.995 37.831 8.629 1.00 0.00 ATOM 88 O ILE A 11 35.485 38.296 9.857 1.00 0.00 ATOM 89 C ILE A 11 35.001 39.213 9.164 1.00 0.00 ATOM 90 N ASN A 12 34.769 40.438 9.620 1.00 0.00 ATOM 91 CA ASN A 12 34.980 40.803 11.028 1.00 0.00 ATOM 92 CB ASN A 12 33.862 40.221 11.902 1.00 0.00 ATOM 93 CG ASN A 12 32.533 40.870 11.611 1.00 0.00 ATOM 94 ND2 ASN A 12 31.465 40.087 11.663 1.00 0.00 ATOM 95 OD1 ASN A 12 32.467 42.071 11.334 1.00 0.00 ATOM 96 O ASN A 12 36.539 39.802 12.576 1.00 0.00 ATOM 97 C ASN A 12 36.368 40.432 11.519 1.00 0.00 ATOM 98 N VAL A 13 37.349 40.792 10.698 1.00 0.00 ATOM 99 CA VAL A 13 38.770 40.628 11.034 1.00 0.00 ATOM 100 CB VAL A 13 39.325 39.245 10.544 1.00 0.00 ATOM 101 CG1 VAL A 13 38.869 38.906 9.142 1.00 0.00 ATOM 102 CG2 VAL A 13 40.861 39.133 10.674 1.00 0.00 ATOM 103 O VAL A 13 39.098 42.526 9.544 1.00 0.00 ATOM 104 C VAL A 13 39.547 41.847 10.489 1.00 0.00 ATOM 105 N GLY 14 40.665 42.159 11.137 1.00 0.00 ATOM 106 CA GLY 14 41.638 43.129 10.619 1.00 0.00 ATOM 107 C LYS 16 36.867 44.161 8.303 1.00 0.00 ATOM 108 N ASN A 17 36.034 44.632 6.991 1.00 0.00 ATOM 109 CA ASN A 17 35.050 43.680 6.474 1.00 0.00 ATOM 110 CB ASN A 17 35.702 42.370 6.015 1.00 0.00 ATOM 111 CG ASN A 17 36.536 42.547 4.755 1.00 0.00 ATOM 112 ND2 ASN A 17 37.089 41.453 4.244 1.00 0.00 ATOM 113 OD1 ASN A 17 36.644 43.658 4.224 1.00 0.00 ATOM 114 O ASN A 17 33.598 42.327 7.867 1.00 0.00 ATOM 115 C ASN A 17 33.954 43.466 7.515 1.00 0.00 ATOM 116 N LYS A 18 33.419 44.579 7.997 1.00 0.00 ATOM 117 CA LYS A 18 32.520 44.552 9.130 1.00 0.00 ATOM 118 CB LYS A 18 32.485 45.919 9.832 1.00 0.00 ATOM 119 CG LYS A 18 31.458 45.987 10.938 1.00 0.00 ATOM 120 CD LYS A 18 31.712 47.139 11.914 1.00 0.00 ATOM 121 CE LYS A 18 30.714 47.083 13.061 1.00 0.00 ATOM 122 NZ LYS A 18 31.066 45.977 14.010 1.00 0.00 ATOM 123 O LYS A 18 30.517 44.701 7.823 1.00 0.00 ATOM 124 C LYS A 18 31.115 44.142 8.744 1.00 0.00 ATOM 125 N VAL A 19 30.599 43.169 9.495 1.00 0.00 ATOM 126 CA VAL A 19 29.215 42.719 9.347 1.00 0.00 ATOM 127 CB VAL A 19 29.132 41.354 8.633 1.00 0.00 ATOM 128 CG1 VAL A 19 27.672 40.962 8.447 1.00 0.00 ATOM 129 CG2 VAL A 19 29.889 41.351 7.302 1.00 0.00 ATOM 130 O VAL A 19 29.152 41.847 11.584 1.00 0.00 ATOM 131 C VAL A 19 28.623 42.598 10.749 1.00 0.00 ATOM 132 N VAL A 20 27.553 43.346 11.009 1.00 0.00 ATOM 133 CA VAL A 20 26.860 43.253 12.296 1.00 0.00 ATOM 134 CB VAL A 20 26.218 44.615 12.678 1.00 0.00 ATOM 135 CG1 VAL A 20 25.452 44.506 13.996 1.00 0.00 ATOM 136 CG2 VAL A 20 27.296 45.687 12.751 1.00 0.00 ATOM 137 O VAL A 20 24.891 42.283 11.328 1.00 0.00 ATOM 138 C VAL A 20 25.800 42.159 12.149 1.00 0.00 ATOM 139 N MET A 21 25.894 41.110 12.958 1.00 0.00 ATOM 140 CA MET A 21 24.979 39.975 12.781 1.00 0.00 ATOM 141 CB MET A 21 25.274 38.859 13.786 1.00 0.00 ATOM 142 CG MET A 21 26.605 38.159 13.521 1.00 0.00 ATOM 143 SD MET A 21 26.695 37.313 11.739 1.00 0.00 ATOM 144 CE MET A 21 28.267 38.289 11.083 1.00 0.00 ATOM 145 O MET A 21 22.711 39.864 12.079 1.00 0.00 ATOM 146 C MET A 21 23.513 40.355 12.856 1.00 0.00 ATOM 147 N ALA A 22 23.136 41.202 13.805 1.00 0.00 ATOM 148 CA ALA A 22 21.727 41.565 13.925 1.00 0.00 ATOM 149 CB ALA A 22 21.535 42.455 15.105 1.00 0.00 ATOM 150 O ALA A 22 20.060 42.056 12.263 1.00 0.00 ATOM 151 C ALA A 22 21.222 42.250 12.668 1.00 0.00 ATOM 152 N GLU A 23 22.087 43.043 12.040 1.00 0.00 ATOM 153 CA GLU A 23 21.717 43.754 10.823 1.00 0.00 ATOM 154 CB GLU A 23 22.758 44.802 10.479 1.00 0.00 ATOM 155 CG GLU A 23 22.765 45.934 11.498 1.00 0.00 ATOM 156 CD GLU A 23 23.840 46.991 11.257 1.00 0.00 ATOM 157 OE1 GLU A 23 24.582 46.945 10.252 1.00 0.00 ATOM 158 OE2 GLU A 23 23.934 47.908 12.104 1.00 0.00 ATOM 159 O GLU A 23 20.621 42.775 8.941 1.00 0.00 ATOM 160 C GLU A 23 21.588 42.750 9.691 1.00 0.00 ATOM 161 N LEU A 24 22.561 41.847 9.565 1.00 0.00 ATOM 162 CA LEU A 24 22.517 40.882 8.491 1.00 0.00 ATOM 163 CB LEU A 24 23.801 40.052 8.504 1.00 0.00 ATOM 164 CG LEU A 24 23.857 38.939 7.470 1.00 0.00 ATOM 165 CD1 LEU A 24 23.838 39.520 6.057 1.00 0.00 ATOM 166 CD2 LEU A 24 25.129 38.131 7.687 1.00 0.00 ATOM 167 O LEU A 24 20.644 39.701 7.586 1.00 0.00 ATOM 168 C LEU A 24 21.288 40.006 8.608 1.00 0.00 ATOM 169 N ARG A 25 20.955 39.566 9.825 1.00 0.00 ATOM 170 CA ARG A 25 19.799 38.686 9.990 1.00 0.00 ATOM 171 CB ARG A 25 19.631 38.196 11.436 1.00 0.00 ATOM 172 CG ARG A 25 20.741 37.269 11.922 1.00 0.00 ATOM 173 CD ARG A 25 20.411 36.576 13.251 1.00 0.00 ATOM 174 NE ARG A 25 20.092 37.538 14.305 1.00 0.00 ATOM 175 CZ ARG A 25 20.973 38.024 15.189 1.00 0.00 ATOM 176 NH1 ARG A 25 22.241 37.639 15.184 1.00 0.00 ATOM 177 NH2 ARG A 25 20.569 38.898 16.103 1.00 0.00 ATOM 178 O ARG A 25 17.681 38.799 8.891 1.00 0.00 ATOM 179 C ARG A 25 18.529 39.404 9.550 1.00 0.00 ATOM 180 N GLN A 26 18.399 40.682 9.881 1.00 0.00 ATOM 181 CA GLN A 26 17.201 41.414 9.467 1.00 0.00 ATOM 182 CB GLN A 26 17.072 42.746 10.189 1.00 0.00 ATOM 183 CG GLN A 26 15.733 43.469 9.868 1.00 0.00 ATOM 184 CD GLN A 26 14.471 42.662 10.271 1.00 0.00 ATOM 185 OE1 GLN A 26 14.278 42.336 11.445 1.00 0.00 ATOM 186 NE2 GLN A 26 13.625 42.336 9.292 1.00 0.00 ATOM 187 O GLN A 26 16.118 41.534 7.304 1.00 0.00 ATOM 188 C GLN A 26 17.182 41.651 7.948 1.00 0.00 ATOM 189 N GLU A 27 18.341 41.956 7.363 1.00 0.00 ATOM 190 CA GLU A 27 18.422 42.151 5.913 1.00 0.00 ATOM 191 CB GLU A 27 19.820 42.669 5.501 1.00 0.00 ATOM 192 CG GLU A 27 20.123 44.042 6.132 1.00 0.00 ATOM 193 CD GLU A 27 21.597 44.389 6.282 1.00 0.00 ATOM 194 OE1 GLU A 27 22.470 43.546 6.011 1.00 0.00 ATOM 195 OE2 GLU A 27 21.897 45.525 6.751 1.00 0.00 ATOM 196 O GLU A 27 17.310 40.926 4.177 1.00 0.00 ATOM 197 C GLU A 27 18.049 40.881 5.165 1.00 0.00 ATOM 198 N LEU A 28 18.559 39.742 5.642 1.00 0.00 ATOM 199 CA LEU A 28 18.226 38.474 4.997 1.00 0.00 ATOM 200 CB LEU A 28 19.136 37.352 5.485 1.00 0.00 ATOM 201 CG LEU A 28 20.612 37.519 5.118 1.00 0.00 ATOM 202 CD1 LEU A 28 21.404 36.360 5.716 1.00 0.00 ATOM 203 CD2 LEU A 28 20.854 37.588 3.616 1.00 0.00 ATOM 204 O LEU A 28 16.153 37.504 4.298 1.00 0.00 ATOM 205 C LEU A 28 16.762 38.121 5.189 1.00 0.00 ATOM 206 N THR A 29 16.201 38.477 6.347 1.00 0.00 ATOM 207 CA THR A 29 14.759 38.302 6.563 1.00 0.00 ATOM 208 CB THR A 29 14.378 38.672 8.000 1.00 0.00 ATOM 209 CG2 THR A 29 12.889 38.480 8.256 1.00 0.00 ATOM 210 OG1 THR A 29 15.087 37.805 8.888 1.00 0.00 ATOM 211 O THR A 29 13.012 38.676 4.921 1.00 0.00 ATOM 212 C THR A 29 13.986 39.146 5.536 1.00 0.00 ATOM 213 N ASN A 30 14.418 40.394 5.351 1.00 0.00 ATOM 214 CA ASN A 30 13.798 41.278 4.346 1.00 0.00 ATOM 215 CB ASN A 30 14.387 42.673 4.444 1.00 0.00 ATOM 216 CG ASN A 30 13.957 43.407 5.686 1.00 0.00 ATOM 217 ND2 ASN A 30 14.603 44.538 5.958 1.00 0.00 ATOM 218 OD1 ASN A 30 13.050 42.977 6.394 1.00 0.00 ATOM 219 O ASN A 30 13.025 40.923 2.090 1.00 0.00 ATOM 220 C ASN A 30 13.925 40.735 2.924 1.00 0.00 ATOM 221 N LEU A 31 15.049 40.082 2.653 1.00 0.00 ATOM 222 CA LEU A 31 15.302 39.427 1.360 1.00 0.00 ATOM 223 CB LEU A 31 16.768 38.960 1.321 1.00 0.00 ATOM 224 CG LEU A 31 17.427 38.512 0.013 1.00 0.00 ATOM 225 CD1 LEU A 31 17.548 39.662 -0.978 1.00 0.00 ATOM 226 CD2 LEU A 31 18.787 37.944 0.355 1.00 0.00 ATOM 227 O LEU A 31 14.203 37.790 -0.039 1.00 0.00 ATOM 228 C LEU A 31 14.345 38.256 1.109 1.00 0.00 ATOM 229 N GLY A 32 13.721 37.749 2.170 1.00 0.00 ATOM 230 CA GLY A 32 12.724 36.687 2.067 1.00 0.00 ATOM 231 O GLY A 32 12.358 34.375 2.628 1.00 0.00 ATOM 232 C GLY A 32 13.107 35.350 2.721 1.00 0.00 ATOM 233 N LEU A 33 14.256 35.297 3.384 1.00 0.00 ATOM 234 CA LEU A 33 14.685 34.065 4.062 1.00 0.00 ATOM 235 CB LEU A 33 16.201 34.066 4.220 1.00 0.00 ATOM 236 CG LEU A 33 16.945 34.291 2.900 1.00 0.00 ATOM 237 CD1 LEU A 33 18.428 34.078 3.130 1.00 0.00 ATOM 238 CD2 LEU A 33 16.438 33.425 1.739 1.00 0.00 ATOM 239 O LEU A 33 13.744 35.050 6.020 1.00 0.00 ATOM 240 C LEU A 33 14.011 33.999 5.417 1.00 0.00 ATOM 241 N GLU A 34 13.754 32.793 5.925 1.00 0.00 ATOM 242 CA GLU A 34 12.962 32.643 7.158 1.00 0.00 ATOM 243 CB GLU A 34 11.742 31.754 6.910 1.00 0.00 ATOM 244 CG GLU A 34 10.822 32.313 5.844 1.00 0.00 ATOM 245 CD GLU A 34 9.602 31.446 5.639 1.00 0.00 ATOM 246 OE1 GLU A 34 8.780 31.345 6.577 1.00 0.00 ATOM 247 OE2 GLU A 34 9.471 30.864 4.540 1.00 0.00 ATOM 248 O GLU A 34 14.720 31.349 8.130 1.00 0.00 ATOM 249 C GLU A 34 13.751 32.089 8.323 1.00 0.00 ATOM 250 N LYS A 35 13.321 32.456 9.530 1.00 0.00 ATOM 251 CA LYS A 35 13.882 31.923 10.773 1.00 0.00 ATOM 252 CB LYS A 35 13.465 30.467 10.994 1.00 0.00 ATOM 253 CG LYS A 35 11.954 30.291 11.053 1.00 0.00 ATOM 254 CD LYS A 35 11.571 28.933 11.602 1.00 0.00 ATOM 255 CE LYS A 35 10.127 28.933 12.085 1.00 0.00 ATOM 256 NZ LYS A 35 9.151 29.151 10.975 1.00 0.00 ATOM 257 O LYS A 35 16.173 31.106 10.981 1.00 0.00 ATOM 258 C LYS A 35 15.410 32.065 10.749 1.00 0.00 ATOM 259 N VAL A 36 15.865 33.273 10.457 1.00 0.00 ATOM 260 CA VAL A 36 17.277 33.522 10.276 1.00 0.00 ATOM 261 CB VAL A 36 17.514 34.790 9.419 1.00 0.00 ATOM 262 CG1 VAL A 36 19.009 34.980 9.093 1.00 0.00 ATOM 263 CG2 VAL A 36 16.721 34.712 8.123 1.00 0.00 ATOM 264 O VAL A 36 17.603 34.402 12.512 1.00 0.00 ATOM 265 C VAL A 36 17.992 33.618 11.626 1.00 0.00 ATOM 266 N GLU A 37 19.050 32.808 11.779 1.00 0.00 ATOM 267 CA GLU A 37 19.838 32.746 13.012 1.00 0.00 ATOM 268 CB GLU A 37 19.576 31.420 13.741 1.00 0.00 ATOM 269 CG GLU A 37 18.113 31.234 14.167 1.00 0.00 ATOM 270 CD GLU A 37 17.891 29.976 14.977 1.00 0.00 ATOM 271 OE1 GLU A 37 18.883 29.391 15.466 1.00 0.00 ATOM 272 OE2 GLU A 37 16.719 29.580 15.133 1.00 0.00 ATOM 273 O GLU A 37 21.695 32.649 11.491 1.00 0.00 ATOM 274 C GLU A 37 21.318 32.858 12.641 1.00 0.00 ATOM 275 N SER A 38 22.147 33.233 13.600 1.00 0.00 ATOM 276 CA SER A 38 23.584 33.208 13.398 1.00 0.00 ATOM 277 CB SER A 38 24.120 34.611 13.072 1.00 0.00 ATOM 278 OG SER A 38 23.834 35.535 14.109 1.00 0.00 ATOM 279 O SER A 38 23.760 32.537 15.695 1.00 0.00 ATOM 280 C SER A 38 24.302 32.613 14.592 1.00 0.00 ATOM 281 N TYR A 39 25.534 32.187 14.343 1.00 0.00 ATOM 282 CA TYR A 39 26.391 31.628 15.390 1.00 0.00 ATOM 283 CB TYR A 39 26.594 30.129 15.160 1.00 0.00 ATOM 284 CG TYR A 39 27.607 29.535 16.109 1.00 0.00 ATOM 285 CD1 TYR A 39 27.360 29.497 17.483 1.00 0.00 ATOM 286 CD2 TYR A 39 28.832 29.055 15.635 1.00 0.00 ATOM 287 CE1 TYR A 39 28.299 28.953 18.362 1.00 0.00 ATOM 288 CE2 TYR A 39 29.772 28.510 16.511 1.00 0.00 ATOM 289 CZ TYR A 39 29.490 28.489 17.861 1.00 0.00 ATOM 290 OH TYR A 39 30.426 27.965 18.729 1.00 0.00 ATOM 291 O TYR A 39 28.344 32.511 14.299 1.00 0.00 ATOM 292 C TYR A 39 27.711 32.386 15.357 1.00 0.00 ATOM 293 N ILE A 40 28.086 32.904 16.527 1.00 0.00 ATOM 294 CA ILE A 40 29.264 33.773 16.685 1.00 0.00 ATOM 295 CB ILE A 40 30.584 32.977 16.952 1.00 0.00 ATOM 296 CG1 ILE A 40 31.004 32.094 15.785 1.00 0.00 ATOM 297 CG2 ILE A 40 30.414 32.161 18.265 1.00 0.00 ATOM 298 CD1 ILE A 40 32.348 31.340 16.022 1.00 0.00 ATOM 299 O ILE A 40 28.324 35.356 15.188 1.00 0.00 ATOM 300 C ILE A 40 29.358 34.874 15.637 1.00 0.00 ATOM 301 N ASN A 41 30.565 35.288 15.257 1.00 0.00 ATOM 302 CA ASN A 41 30.697 36.513 14.462 1.00 0.00 ATOM 303 CB ASN A 41 31.306 37.629 15.312 1.00 0.00 ATOM 304 CG ASN A 41 30.831 39.000 14.890 1.00 0.00 ATOM 305 ND2 ASN A 41 31.714 39.999 14.994 1.00 0.00 ATOM 306 OD1 ASN A 41 29.676 39.178 14.506 1.00 0.00 ATOM 307 O ASN A 41 31.744 37.313 12.459 1.00 0.00 ATOM 308 C ASN A 41 31.508 36.345 13.197 1.00 0.00 ATOM 309 N SER A 42 31.899 35.118 12.908 1.00 0.00 ATOM 310 CA SER A 42 32.748 34.863 11.755 1.00 0.00 ATOM 311 CB SER A 42 33.680 33.676 12.028 1.00 0.00 ATOM 312 OG SER A 42 32.925 32.512 12.383 1.00 0.00 ATOM 313 O SER A 42 32.621 34.430 9.429 1.00 0.00 ATOM 314 C SER A 42 32.000 34.602 10.477 1.00 0.00 ATOM 315 N GLY A 43 30.673 34.564 10.550 1.00 0.00 ATOM 316 CA GLY A 43 29.830 34.387 9.366 1.00 0.00 ATOM 317 O GLY A 43 29.565 32.268 8.286 1.00 0.00 ATOM 318 C GLY A 43 29.243 32.998 9.236 1.00 0.00 ATOM 319 N ASN A 44 28.399 32.632 10.197 1.00 0.00 ATOM 320 CA ASN A 44 27.670 31.372 10.204 1.00 0.00 ATOM 321 CB ASN A 44 28.167 30.514 11.367 1.00 0.00 ATOM 322 CG ASN A 44 29.676 30.449 11.400 1.00 0.00 ATOM 323 ND2 ASN A 44 30.281 31.118 12.371 1.00 0.00 ATOM 324 OD1 ASN A 44 30.285 29.861 10.506 1.00 0.00 ATOM 325 O ASN A 44 25.757 32.063 11.480 1.00 0.00 ATOM 326 C ASN A 44 26.206 31.707 10.376 1.00 0.00 ATOM 327 N ILE A 45 25.493 31.652 9.251 1.00 0.00 ATOM 328 CA ILE A 45 24.085 32.045 9.195 1.00 0.00 ATOM 329 CB ILE A 45 23.882 33.103 8.076 1.00 0.00 ATOM 330 CG1 ILE A 45 24.640 34.417 8.341 1.00 0.00 ATOM 331 CG2 ILE A 45 22.404 33.384 7.809 1.00 0.00 ATOM 332 CD1 ILE A 45 25.016 34.732 9.709 1.00 0.00 ATOM 333 O ILE A 45 23.684 29.965 8.079 1.00 0.00 ATOM 334 C ILE A 45 23.237 30.817 8.852 1.00 0.00 ATOM 335 N PHE A 46 22.043 30.712 9.436 1.00 0.00 ATOM 336 CA PHE A 46 21.160 29.583 9.214 1.00 0.00 ATOM 337 CB PHE A 46 21.106 28.704 10.469 1.00 0.00 ATOM 338 CG PHE A 46 22.468 28.275 10.908 1.00 0.00 ATOM 339 CD1 PHE A 46 23.010 27.089 10.413 1.00 0.00 ATOM 340 CD2 PHE A 46 23.247 29.116 11.703 1.00 0.00 ATOM 341 CE1 PHE A 46 24.322 26.740 10.743 1.00 0.00 ATOM 342 CE2 PHE A 46 24.558 28.766 12.030 1.00 0.00 ATOM 343 CZ PHE A 46 25.088 27.589 11.533 1.00 0.00 ATOM 344 O PHE A 46 19.374 31.145 9.472 1.00 0.00 ATOM 345 C PHE A 46 19.802 30.144 8.885 1.00 0.00 ATOM 346 N PHE A 47 19.158 29.551 7.884 1.00 0.00 ATOM 347 CA PHE A 47 17.825 30.030 7.484 1.00 0.00 ATOM 348 CB PHE A 47 17.936 31.243 6.543 1.00 0.00 ATOM 349 CG PHE A 47 18.495 30.919 5.191 1.00 0.00 ATOM 350 CD1 PHE A 47 17.663 30.460 4.168 1.00 0.00 ATOM 351 CD2 PHE A 47 19.873 31.026 4.944 1.00 0.00 ATOM 352 CE1 PHE A 47 18.169 30.145 2.932 1.00 0.00 ATOM 353 CE2 PHE A 47 20.379 30.718 3.676 1.00 0.00 ATOM 354 CZ PHE A 47 19.527 30.260 2.686 1.00 0.00 ATOM 355 O PHE A 47 17.591 27.889 6.467 1.00 0.00 ATOM 356 C PHE A 47 17.038 28.917 6.848 1.00 0.00 ATOM 357 N THR A 48 15.732 29.142 6.744 1.00 0.00 ATOM 358 CA THR A 48 14.840 28.194 6.097 1.00 0.00 ATOM 359 CB THR A 48 13.691 27.798 7.036 1.00 0.00 ATOM 360 CG2 THR A 48 12.741 26.808 6.353 1.00 0.00 ATOM 361 OG1 THR A 48 14.257 27.180 8.198 1.00 0.00 ATOM 362 O THR A 48 13.928 30.024 4.833 1.00 0.00 ATOM 363 C THR A 48 14.267 28.828 4.852 1.00 0.00 ATOM 364 N SER A 49 14.155 28.028 3.799 1.00 0.00 ATOM 365 CA SER A 49 13.539 28.487 2.560 1.00 0.00 ATOM 366 CB SER A 49 14.542 29.266 1.704 1.00 0.00 ATOM 367 OG SER A 49 13.929 29.796 0.542 1.00 0.00 ATOM 368 O SER A 49 13.571 26.213 1.792 1.00 0.00 ATOM 369 C SER A 49 13.002 27.309 1.755 1.00 0.00 ATOM 370 N ILE A 50 11.933 27.567 1.015 1.00 0.00 ATOM 371 CA ILE A 50 11.430 26.604 0.047 1.00 0.00 ATOM 372 CB ILE A 50 9.897 26.430 0.188 1.00 0.00 ATOM 373 CG1 ILE A 50 9.422 25.170 -0.545 1.00 0.00 ATOM 374 CG2 ILE A 50 9.168 27.686 -0.276 1.00 0.00 ATOM 375 CD1 ILE A 50 8.139 24.616 -0.005 1.00 0.00 ATOM 376 O ILE A 50 11.485 26.313 -2.350 1.00 0.00 ATOM 377 C ILE A 50 11.818 27.008 -1.378 1.00 0.00 ATOM 378 N ASP A 51 12.534 28.119 -1.522 1.00 0.00 ATOM 379 CA ASP A 51 12.995 28.553 -2.828 1.00 0.00 ATOM 380 CB ASP A 51 13.604 29.941 -2.709 1.00 0.00 ATOM 381 CG ASP A 51 13.459 30.761 -3.977 1.00 0.00 ATOM 382 OD1 ASP A 51 13.046 30.200 -5.031 1.00 0.00 ATOM 383 OD2 ASP A 51 13.763 31.966 -3.899 1.00 0.00 ATOM 384 O ASP A 51 14.664 26.839 -2.581 1.00 0.00 ATOM 385 C ASP A 51 14.024 27.556 -3.366 1.00 0.00 ATOM 386 N SER A 52 14.191 27.494 -4.685 1.00 0.00 ATOM 387 CA SER A 52 15.209 26.585 -5.252 1.00 0.00 ATOM 388 CB SER A 52 15.144 26.528 -6.781 1.00 0.00 ATOM 389 OG SER A 52 15.578 27.747 -7.373 1.00 0.00 ATOM 390 O SER A 52 16.878 28.224 -4.652 1.00 0.00 ATOM 391 C SER A 52 16.617 27.026 -4.832 1.00 0.00 ATOM 392 N LYS A 53 17.525 26.068 -4.686 1.00 0.00 ATOM 393 CA LYS A 53 18.870 26.456 -4.304 1.00 0.00 ATOM 394 CB LYS A 53 19.754 25.241 -4.107 1.00 0.00 ATOM 395 CG LYS A 53 21.045 25.633 -3.340 1.00 0.00 ATOM 396 CD LYS A 53 21.967 24.476 -3.121 1.00 0.00 ATOM 397 CE LYS A 53 23.276 24.999 -2.569 1.00 0.00 ATOM 398 NZ LYS A 53 24.148 23.862 -2.234 1.00 0.00 ATOM 399 O LYS A 53 20.151 28.347 -4.988 1.00 0.00 ATOM 400 C LYS A 53 19.470 27.402 -5.338 1.00 0.00 ATOM 401 N ALA A 54 19.214 27.173 -6.618 1.00 0.00 ATOM 402 CA ALA A 54 19.785 28.048 -7.634 1.00 0.00 ATOM 403 CB ALA A 54 19.481 27.527 -9.044 1.00 0.00 ATOM 404 O ALA A 54 20.099 30.439 -7.605 1.00 0.00 ATOM 405 C ALA A 54 19.304 29.495 -7.467 1.00 0.00 ATOM 406 N GLN A 55 18.024 29.687 -7.149 1.00 0.00 ATOM 407 CA GLN A 55 17.519 31.037 -6.910 1.00 0.00 ATOM 408 CB GLN A 55 15.987 31.083 -6.982 1.00 0.00 ATOM 409 CG GLN A 55 15.515 30.827 -8.423 1.00 0.00 ATOM 410 CD GLN A 55 14.038 31.108 -8.699 1.00 0.00 ATOM 411 OE1 GLN A 55 13.672 31.386 -9.841 1.00 0.00 ATOM 412 NE2 GLN A 55 13.188 31.026 -7.671 1.00 0.00 ATOM 413 O GLN A 55 18.257 32.857 -5.536 1.00 0.00 ATOM 414 C GLN A 55 18.045 31.643 -5.611 1.00 0.00 ATOM 415 N LEU A 56 18.258 30.806 -4.593 1.00 0.00 ATOM 416 CA LEU A 56 18.886 31.269 -3.365 1.00 0.00 ATOM 417 CB LEU A 56 18.904 30.168 -2.293 1.00 0.00 ATOM 418 CG LEU A 56 17.531 29.875 -1.710 1.00 0.00 ATOM 419 CD1 LEU A 56 17.548 28.597 -0.878 1.00 0.00 ATOM 420 CD2 LEU A 56 17.023 31.064 -0.880 1.00 0.00 ATOM 421 O LEU A 56 20.685 32.815 -3.117 1.00 0.00 ATOM 422 C LEU A 56 20.301 31.762 -3.633 1.00 0.00 ATOM 423 N VAL A 57 21.090 31.001 -4.391 1.00 0.00 ATOM 424 CA VAL A 57 22.453 31.402 -4.664 1.00 0.00 ATOM 425 CB VAL A 57 23.181 30.303 -5.467 1.00 0.00 ATOM 426 CG1 VAL A 57 24.523 30.800 -5.978 1.00 0.00 ATOM 427 CG2 VAL A 57 23.381 29.070 -4.605 1.00 0.00 ATOM 428 O VAL A 57 23.246 33.623 -5.100 1.00 0.00 ATOM 429 C VAL A 57 22.462 32.720 -5.424 1.00 0.00 ATOM 430 N GLU A 58 21.576 32.870 -6.407 1.00 0.00 ATOM 431 CA GLU A 58 21.531 34.109 -7.178 1.00 0.00 ATOM 432 CB GLU A 58 20.555 33.973 -8.348 1.00 0.00 ATOM 433 CG GLU A 58 20.633 35.131 -9.326 1.00 0.00 ATOM 434 CD GLU A 58 19.807 36.324 -8.884 1.00 0.00 ATOM 435 OE1 GLU A 58 18.672 36.128 -8.387 1.00 0.00 ATOM 436 OE2 GLU A 58 20.288 37.472 -9.031 1.00 0.00 ATOM 437 O GLU A 58 21.757 36.350 -6.367 1.00 0.00 ATOM 438 C GLU A 58 21.131 35.286 -6.295 1.00 0.00 ATOM 439 N LYS A 59 20.115 35.085 -5.456 1.00 0.00 ATOM 440 CA LYS A 59 19.669 36.148 -4.572 1.00 0.00 ATOM 441 CB LYS A 59 18.457 35.696 -3.773 1.00 0.00 ATOM 442 CG LYS A 59 17.157 35.782 -4.559 1.00 0.00 ATOM 443 CD LYS A 59 15.970 35.270 -3.751 1.00 0.00 ATOM 444 CE LYS A 59 15.525 36.327 -2.720 1.00 0.00 ATOM 445 NZ LYS A 59 14.241 35.959 -2.022 1.00 0.00 ATOM 446 O LYS A 59 20.966 37.746 -3.370 1.00 0.00 ATOM 447 C LYS A 59 20.772 36.560 -3.626 1.00 0.00 ATOM 448 N LEU A 60 21.489 35.575 -3.085 1.00 0.00 ATOM 449 CA LEU A 60 22.547 35.908 -2.131 1.00 0.00 ATOM 450 CB LEU A 60 22.961 34.665 -1.339 1.00 0.00 ATOM 451 CG LEU A 60 21.935 34.147 -0.339 1.00 0.00 ATOM 452 CD1 LEU A 60 22.293 32.735 0.098 1.00 0.00 ATOM 453 CD2 LEU A 60 21.881 35.076 0.876 1.00 0.00 ATOM 454 O LEU A 60 24.325 37.500 -2.245 1.00 0.00 ATOM 455 C LEU A 60 23.741 36.581 -2.792 1.00 0.00 ATOM 456 N GLU A 61 24.102 36.125 -3.994 1.00 0.00 ATOM 457 CA GLU A 61 25.200 36.797 -4.714 1.00 0.00 ATOM 458 CB GLU A 61 25.543 36.053 -6.010 1.00 0.00 ATOM 459 CG GLU A 61 26.298 34.768 -5.744 1.00 0.00 ATOM 460 CD GLU A 61 26.482 33.873 -6.969 1.00 0.00 ATOM 461 OE1 GLU A 61 25.854 34.139 -8.015 1.00 0.00 ATOM 462 OE2 GLU A 61 27.262 32.889 -6.835 1.00 0.00 ATOM 463 O GLU A 61 25.723 39.157 -4.833 1.00 0.00 ATOM 464 C GLU A 61 24.886 38.251 -5.016 1.00 0.00 ATOM 465 N THR A 62 23.667 38.475 -5.479 1.00 0.00 ATOM 466 CA THR A 62 23.222 39.831 -5.771 1.00 0.00 ATOM 467 CB THR A 62 21.864 39.789 -6.476 1.00 0.00 ATOM 468 CG2 THR A 62 21.342 41.196 -6.790 1.00 0.00 ATOM 469 OG1 THR A 62 22.019 39.065 -7.717 1.00 0.00 ATOM 470 O THR A 62 23.639 41.805 -4.443 1.00 0.00 ATOM 471 C THR A 62 23.175 40.661 -4.480 1.00 0.00 ATOM 472 N PHE A 63 22.679 40.056 -3.403 1.00 0.00 ATOM 473 CA PHE A 63 22.633 40.747 -2.122 1.00 0.00 ATOM 474 CB PHE A 63 21.946 39.873 -1.065 1.00 0.00 ATOM 475 CG PHE A 63 22.021 40.438 0.332 1.00 0.00 ATOM 476 CD1 PHE A 63 21.144 41.433 0.711 1.00 0.00 ATOM 477 CD2 PHE A 63 22.954 39.963 1.264 1.00 0.00 ATOM 478 CE1 PHE A 63 21.198 41.986 1.978 1.00 0.00 ATOM 479 CE2 PHE A 63 23.007 40.514 2.526 1.00 0.00 ATOM 480 CZ PHE A 63 22.125 41.514 2.873 1.00 0.00 ATOM 481 O PHE A 63 24.265 42.322 -1.270 1.00 0.00 ATOM 482 C PHE A 63 24.025 41.163 -1.632 1.00 0.00 ATOM 483 N PHE A 64 24.959 40.222 -1.591 1.00 0.00 ATOM 484 CA PHE A 64 26.293 40.582 -1.099 1.00 0.00 ATOM 485 CB PHE A 64 27.194 39.358 -0.925 1.00 0.00 ATOM 486 CG PHE A 64 26.764 38.423 0.171 1.00 0.00 ATOM 487 CD1 PHE A 64 26.500 38.908 1.442 1.00 0.00 ATOM 488 CD2 PHE A 64 26.613 37.050 -0.078 1.00 0.00 ATOM 489 CE1 PHE A 64 26.116 38.020 2.468 1.00 0.00 ATOM 490 CE2 PHE A 64 26.237 36.180 0.949 1.00 0.00 ATOM 491 CZ PHE A 64 25.991 36.676 2.211 1.00 0.00 ATOM 492 O PHE A 64 27.706 42.476 -1.481 1.00 0.00 ATOM 493 C PHE A 64 27.000 41.610 -1.991 1.00 0.00 ATOM 494 N ALA A 65 26.822 41.508 -3.304 1.00 0.00 ATOM 495 CA ALA A 65 27.505 42.430 -4.212 1.00 0.00 ATOM 496 CB ALA A 65 27.205 42.075 -5.648 1.00 0.00 ATOM 497 O ALA A 65 27.991 44.776 -4.136 1.00 0.00 ATOM 498 C ALA A 65 27.162 43.894 -3.924 1.00 0.00 ATOM 499 N VAL A 66 25.952 44.129 -3.425 1.00 0.00 ATOM 500 CA VAL A 66 25.501 45.478 -3.095 1.00 0.00 ATOM 501 CB VAL A 66 23.999 45.609 -3.351 1.00 0.00 ATOM 502 CG1 VAL A 66 23.413 46.892 -2.693 1.00 0.00 ATOM 503 CG2 VAL A 66 23.743 45.618 -4.868 1.00 0.00 ATOM 504 O VAL A 66 26.365 46.919 -1.381 1.00 0.00 ATOM 505 C VAL A 66 25.815 45.841 -1.647 1.00 0.00 ATOM 506 N HIS A 67 25.506 44.938 -0.712 1.00 0.00 ATOM 507 CA HIS A 67 25.507 45.282 0.704 1.00 0.00 ATOM 508 CB HIS A 67 24.340 44.594 1.415 1.00 0.00 ATOM 509 CG HIS A 67 23.002 45.039 0.930 1.00 0.00 ATOM 510 CD2 HIS A 67 22.189 46.031 1.364 1.00 0.00 ATOM 511 ND1 HIS A 67 22.346 44.433 -0.124 1.00 0.00 ATOM 512 CE1 HIS A 67 21.192 45.045 -0.327 1.00 0.00 ATOM 513 NE2 HIS A 67 21.076 46.013 0.556 1.00 0.00 ATOM 514 O HIS A 67 27.165 45.654 2.383 1.00 0.00 ATOM 515 C HIS A 67 26.826 44.973 1.427 1.00 0.00 ATOM 516 N TYR A 68 27.565 43.949 0.989 1.00 0.00 ATOM 517 CA TYR A 68 28.822 43.521 1.650 1.00 0.00 ATOM 518 CB TYR A 68 28.565 42.394 2.667 1.00 0.00 ATOM 519 CG TYR A 68 27.603 42.809 3.744 1.00 0.00 ATOM 520 CD1 TYR A 68 28.018 43.631 4.787 1.00 0.00 ATOM 521 CD2 TYR A 68 26.266 42.408 3.708 1.00 0.00 ATOM 522 CE1 TYR A 68 27.125 44.061 5.765 1.00 0.00 ATOM 523 CE2 TYR A 68 25.366 42.839 4.678 1.00 0.00 ATOM 524 CZ TYR A 68 25.807 43.654 5.699 1.00 0.00 ATOM 525 OH TYR A 68 24.928 44.077 6.693 1.00 0.00 ATOM 526 O TYR A 68 29.991 41.859 0.429 1.00 0.00 ATOM 527 C TYR A 68 29.760 43.048 0.560 1.00 0.00 ATOM 528 N PRO A 69 30.276 43.965 -0.276 1.00 0.00 ATOM 529 CA PRO A 69 30.985 43.543 -1.489 1.00 0.00 ATOM 530 CB PRO A 69 31.249 44.865 -2.251 1.00 0.00 ATOM 531 CG PRO A 69 30.433 45.879 -1.570 1.00 0.00 ATOM 532 CD PRO A 69 30.128 45.432 -0.189 1.00 0.00 ATOM 533 O PRO A 69 32.817 42.221 -2.194 1.00 0.00 ATOM 534 C PRO A 69 32.285 42.794 -1.244 1.00 0.00 ATOM 535 N PHE A 70 32.785 42.829 -0.005 1.00 0.00 ATOM 536 CA PHE A 70 33.963 42.036 0.344 1.00 0.00 ATOM 537 CB PHE A 70 34.636 42.583 1.597 1.00 0.00 ATOM 538 CG PHE A 70 33.664 42.907 2.701 1.00 0.00 ATOM 539 CD1 PHE A 70 33.225 41.912 3.565 1.00 0.00 ATOM 540 CD2 PHE A 70 33.186 44.214 2.870 1.00 0.00 ATOM 541 CE1 PHE A 70 32.325 42.213 4.575 1.00 0.00 ATOM 542 CE2 PHE A 70 32.275 44.508 3.871 1.00 0.00 ATOM 543 CZ PHE A 70 31.850 43.505 4.730 1.00 0.00 ATOM 544 O PHE A 70 34.575 39.744 0.614 1.00 0.00 ATOM 545 C PHE A 70 33.640 40.552 0.522 1.00 0.00 ATOM 546 N ILE A 71 32.352 40.186 0.604 1.00 0.00 ATOM 547 CA ILE A 71 31.931 38.761 0.632 1.00 0.00 ATOM 548 CB ILE A 71 30.609 38.599 1.401 1.00 0.00 ATOM 549 CG1 ILE A 71 30.830 39.038 2.860 1.00 0.00 ATOM 550 CG2 ILE A 71 30.106 37.146 1.342 1.00 0.00 ATOM 551 CD1 ILE A 71 29.584 39.065 3.745 1.00 0.00 ATOM 552 O ILE A 71 30.815 38.576 -1.510 1.00 0.00 ATOM 553 C ILE A 71 31.827 38.297 -0.817 1.00 0.00 ATOM 554 N GLN A 72 32.921 37.682 -1.281 1.00 0.00 ATOM 555 CA GLN A 72 33.107 37.325 -2.689 1.00 0.00 ATOM 556 CB GLN A 72 34.416 37.934 -3.205 1.00 0.00 ATOM 557 CG GLN A 72 34.245 39.452 -3.393 1.00 0.00 ATOM 558 CD GLN A 72 35.527 40.194 -3.666 1.00 0.00 ATOM 559 OE1 GLN A 72 36.535 39.606 -4.069 1.00 0.00 ATOM 560 NE2 GLN A 72 35.494 41.510 -3.442 1.00 0.00 ATOM 561 O GLN A 72 33.230 35.369 -4.049 1.00 0.00 ATOM 562 C GLN A 72 33.035 35.827 -2.932 1.00 0.00 ATOM 563 N SER A 73 32.764 35.069 -1.871 1.00 0.00 ATOM 564 CA SER A 73 32.461 33.646 -1.976 1.00 0.00 ATOM 565 CB SER A 73 33.759 32.799 -1.905 1.00 0.00 ATOM 566 OG SER A 73 34.384 32.812 -0.608 1.00 0.00 ATOM 567 O SER A 73 31.602 33.995 0.235 1.00 0.00 ATOM 568 C SER A 73 31.605 33.296 -0.782 1.00 0.00 ATOM 569 N PHE A 74 30.848 32.211 -0.918 1.00 0.00 ATOM 570 CA PHE A 74 30.162 31.693 0.264 1.00 0.00 ATOM 571 CB PHE A 74 28.849 32.489 0.576 1.00 0.00 ATOM 572 CG PHE A 74 27.842 32.543 -0.536 1.00 0.00 ATOM 573 CD1 PHE A 74 26.906 31.535 -0.717 1.00 0.00 ATOM 574 CD2 PHE A 74 27.763 33.657 -1.341 1.00 0.00 ATOM 575 CE1 PHE A 74 25.941 31.600 -1.739 1.00 0.00 ATOM 576 CE2 PHE A 74 26.788 33.748 -2.349 1.00 0.00 ATOM 577 CZ PHE A 74 25.881 32.708 -2.545 1.00 0.00 ATOM 578 O PHE A 74 29.735 29.748 -1.044 1.00 0.00 ATOM 579 C PHE A 74 29.850 30.228 0.101 1.00 0.00 ATOM 580 N SER A 75 29.720 29.525 1.228 1.00 0.00 ATOM 581 CA SER A 75 29.244 28.145 1.257 1.00 0.00 ATOM 582 CB SER A 75 29.992 27.372 2.350 1.00 0.00 ATOM 583 OG SER A 75 31.416 27.477 2.138 1.00 0.00 ATOM 584 O SER A 75 27.341 28.896 2.463 1.00 0.00 ATOM 585 C SER A 75 27.765 28.152 1.566 1.00 0.00 ATOM 586 N LEU A 76 26.991 27.337 0.855 1.00 0.00 ATOM 587 CA LEU A 76 25.549 27.220 1.141 1.00 0.00 ATOM 588 CB LEU A 76 24.717 28.009 0.125 1.00 0.00 ATOM 589 CG LEU A 76 23.200 27.982 0.369 1.00 0.00 ATOM 590 CD1 LEU A 76 22.841 28.706 1.695 1.00 0.00 ATOM 591 CD2 LEU A 76 22.460 28.623 -0.825 1.00 0.00 ATOM 592 O LEU A 76 25.402 25.107 0.043 1.00 0.00 ATOM 593 C LEU A 76 25.211 25.749 1.084 1.00 0.00 ATOM 594 N LEU A 77 24.766 25.210 2.213 1.00 0.00 ATOM 595 CA LEU A 77 24.507 23.769 2.277 1.00 0.00 ATOM 596 CB LEU A 77 25.757 23.038 2.780 1.00 0.00 ATOM 597 CG LEU A 77 26.212 23.495 4.163 1.00 0.00 ATOM 598 CD1 LEU A 77 25.887 22.495 5.251 1.00 0.00 ATOM 599 CD2 LEU A 77 27.726 23.702 4.162 1.00 0.00 ATOM 600 O LEU A 77 22.966 24.233 4.054 1.00 0.00 ATOM 601 C LEU A 77 23.307 23.475 3.146 1.00 0.00 ATOM 602 N SER A 78 22.648 22.363 2.859 1.00 0.00 ATOM 603 CA SER A 78 21.430 22.041 3.579 1.00 0.00 ATOM 604 CB SER A 78 20.460 21.373 2.628 1.00 0.00 ATOM 605 OG SER A 78 20.994 20.113 2.243 1.00 0.00 ATOM 606 O SER A 78 22.721 20.440 4.870 1.00 0.00 ATOM 607 C SER A 78 21.674 21.107 4.773 1.00 0.00 ATOM 608 N LEU A 79 20.660 20.965 5.626 1.00 0.00 ATOM 609 CA LEU A 79 20.712 19.983 6.698 1.00 0.00 ATOM 610 CB LEU A 79 19.383 20.001 7.485 1.00 0.00 ATOM 611 CG LEU A 79 19.179 18.854 8.474 1.00 0.00 ATOM 612 CD1 LEU A 79 20.202 18.879 9.574 1.00 0.00 ATOM 613 CD2 LEU A 79 17.761 18.920 9.057 1.00 0.00 ATOM 614 O LEU A 79 21.783 17.834 6.680 1.00 0.00 ATOM 615 C LEU A 79 20.961 18.589 6.139 1.00 0.00 ATOM 616 N GLU A 80 20.256 18.251 5.059 1.00 0.00 ATOM 617 CA GLU A 80 20.404 16.941 4.425 1.00 0.00 ATOM 618 CB GLU A 80 19.438 16.818 3.252 1.00 0.00 ATOM 619 CG GLU A 80 19.544 15.548 2.436 1.00 0.00 ATOM 620 CD GLU A 80 18.382 15.365 1.463 1.00 0.00 ATOM 621 OE1 GLU A 80 17.333 16.043 1.606 1.00 0.00 ATOM 622 OE2 GLU A 80 18.505 14.504 0.556 1.00 0.00 ATOM 623 O GLU A 80 22.423 15.651 4.147 1.00 0.00 ATOM 624 C GLU A 80 21.839 16.732 3.953 1.00 0.00 ATOM 625 N ASP A 81 22.420 17.764 3.343 1.00 0.00 ATOM 626 CA ASP A 81 23.832 17.684 2.947 1.00 0.00 ATOM 627 CB ASP A 81 24.326 19.033 2.411 1.00 0.00 ATOM 628 CG ASP A 81 23.711 19.443 1.076 1.00 0.00 ATOM 629 OD1 ASP A 81 23.186 18.578 0.345 1.00 0.00 ATOM 630 OD2 ASP A 81 23.814 20.663 0.741 1.00 0.00 ATOM 631 O ASP A 81 25.662 16.555 4.090 1.00 0.00 ATOM 632 C ASP A 81 24.730 17.378 4.156 1.00 0.00 ATOM 633 N PHE A 82 24.512 18.120 5.244 1.00 0.00 ATOM 634 CA PHE A 82 25.362 17.959 6.417 1.00 0.00 ATOM 635 CB PHE A 82 25.113 19.076 7.437 1.00 0.00 ATOM 636 CG PHE A 82 26.282 19.317 8.347 1.00 0.00 ATOM 637 CD1 PHE A 82 27.320 20.129 7.926 1.00 0.00 ATOM 638 CD2 PHE A 82 26.368 18.708 9.584 1.00 0.00 ATOM 639 CE1 PHE A 82 28.436 20.346 8.740 1.00 0.00 ATOM 640 CE2 PHE A 82 27.493 18.934 10.416 1.00 0.00 ATOM 641 CZ PHE A 82 28.498 19.755 9.988 1.00 0.00 ATOM 642 O PHE A 82 26.191 15.943 7.422 1.00 0.00 ATOM 643 C PHE A 82 25.202 16.590 7.060 1.00 0.00 ATOM 644 N GLU A 83 23.964 16.124 7.167 1.00 0.00 ATOM 645 CA GLU A 83 23.741 14.786 7.716 1.00 0.00 ATOM 646 CB GLU A 83 22.247 14.503 7.849 1.00 0.00 ATOM 647 CG GLU A 83 21.600 15.389 8.883 1.00 0.00 ATOM 648 CD GLU A 83 20.120 15.120 9.072 1.00 0.00 ATOM 649 OE1 GLU A 83 19.430 14.821 8.073 1.00 0.00 ATOM 650 OE2 GLU A 83 19.653 15.227 10.222 1.00 0.00 ATOM 651 O GLU A 83 24.949 12.729 7.426 1.00 0.00 ATOM 652 C GLU A 83 24.425 13.705 6.870 1.00 0.00 ATOM 653 N ALA A 84 24.444 13.870 5.546 1.00 0.00 ATOM 654 CA ALA A 84 25.137 12.913 4.683 1.00 0.00 ATOM 655 CB ALA A 84 24.876 13.215 3.199 1.00 0.00 ATOM 656 O ALA A 84 27.286 11.866 5.079 1.00 0.00 ATOM 657 C ALA A 84 26.637 12.927 4.996 1.00 0.00 ATOM 658 N GLU A 85 27.198 14.117 5.171 1.00 0.00 ATOM 659 CA GLU A 85 28.622 14.223 5.518 1.00 0.00 ATOM 660 CB GLU A 85 29.037 15.688 5.581 1.00 0.00 ATOM 661 CG GLU A 85 30.553 15.910 5.640 1.00 0.00 ATOM 662 CD GLU A 85 31.218 15.857 4.290 1.00 0.00 ATOM 663 OE1 GLU A 85 31.431 16.935 3.729 1.00 0.00 ATOM 664 OE2 GLU A 85 31.568 14.775 3.800 1.00 0.00 ATOM 665 O GLU A 85 29.954 12.873 6.997 1.00 0.00 ATOM 666 C GLU A 85 28.924 13.539 6.854 1.00 0.00 ATOM 667 N LEU A 86 27.993 13.643 7.807 1.00 0.00 ATOM 668 CA LEU A 86 28.181 13.072 9.148 1.00 0.00 ATOM 669 CB LEU A 86 27.136 13.605 10.146 1.00 0.00 ATOM 670 CG LEU A 86 27.280 15.061 10.615 1.00 0.00 ATOM 671 CD1 LEU A 86 26.136 15.464 11.560 1.00 0.00 ATOM 672 CD2 LEU A 86 28.656 15.368 11.245 1.00 0.00 ATOM 673 O LEU A 86 28.607 10.910 10.106 1.00 0.00 ATOM 674 C LEU A 86 28.183 11.546 9.127 1.00 0.00 ATOM 675 N GLU A 87 27.747 10.952 8.014 1.00 0.00 ATOM 676 CA GLU A 87 27.773 9.492 7.872 1.00 0.00 ATOM 677 CB GLU A 87 26.607 9.015 7.005 1.00 0.00 ATOM 678 CG GLU A 87 25.239 9.252 7.666 1.00 0.00 ATOM 679 CD GLU A 87 25.074 8.509 8.996 1.00 0.00 ATOM 680 OE1 GLU A 87 25.132 7.252 8.998 1.00 0.00 ATOM 681 OE2 GLU A 87 24.867 9.187 10.040 1.00 0.00 ATOM 682 O GLU A 87 29.287 7.738 7.271 1.00 0.00 ATOM 683 C GLU A 87 29.089 8.963 7.333 1.00 0.00 ATOM 684 N ASN A 88 29.995 9.868 6.957 1.00 0.00 ATOM 685 CA ASN A 88 31.302 9.440 6.453 1.00 0.00 ATOM 686 CB ASN A 88 31.366 9.464 4.925 1.00 0.00 ATOM 687 CG ASN A 88 32.586 8.711 4.376 1.00 0.00 ATOM 688 ND2 ASN A 88 33.093 9.152 3.221 1.00 0.00 ATOM 689 OD1 ASN A 88 33.051 7.733 4.977 1.00 0.00 ATOM 690 O ASN A 88 33.251 10.856 6.277 1.00 0.00 ATOM 691 C ASN A 88 32.426 10.291 7.017 1.00 0.00 ATOM 692 N LEU A 89 32.448 10.409 8.331 1.00 0.00 ATOM 693 CA LEU A 89 33.516 11.131 9.009 1.00 0.00 ATOM 694 CB LEU A 89 33.086 11.496 10.433 1.00 0.00 ATOM 695 CG LEU A 89 31.872 12.417 10.563 1.00 0.00 ATOM 696 CD1 LEU A 89 31.540 12.554 12.031 1.00 0.00 ATOM 697 CD2 LEU A 89 32.162 13.782 9.925 1.00 0.00 ATOM 698 O LEU A 89 34.593 9.048 9.484 1.00 0.00 ATOM 699 C LEU A 89 34.727 10.215 9.118 1.00 0.00 ATOM 700 N PRO A 90 35.926 10.743 8.849 1.00 0.00 ATOM 701 CA PRO A 90 37.132 9.921 9.069 1.00 0.00 ATOM 702 CB PRO A 90 38.274 10.874 8.697 1.00 0.00 ATOM 703 CG PRO A 90 37.646 11.868 7.768 1.00 0.00 ATOM 704 CD PRO A 90 36.242 12.060 8.277 1.00 0.00 ATOM 705 O PRO A 90 36.859 10.254 11.419 1.00 0.00 ATOM 706 C PRO A 90 37.231 9.492 10.533 1.00 0.00 ATOM 707 N ALA A 91 37.789 8.315 10.781 1.00 0.00 ATOM 708 CA ALA A 91 37.884 7.839 12.162 1.00 0.00 ATOM 709 CB ALA A 91 38.377 6.387 12.214 1.00 0.00 ATOM 710 O ALA A 91 38.549 8.993 14.176 1.00 0.00 ATOM 711 C ALA A 91 38.788 8.764 12.970 1.00 0.00 ATOM 712 N TRP A 92 39.780 9.364 12.320 1.00 0.00 ATOM 713 CA TRP A 92 40.694 10.248 13.015 1.00 0.00 ATOM 714 CB TRP A 92 42.010 10.404 12.237 1.00 0.00 ATOM 715 CG TRP A 92 41.842 10.823 10.796 1.00 0.00 ATOM 716 CD1 TRP A 92 41.885 9.992 9.704 1.00 0.00 ATOM 717 CD2 TRP A 92 41.632 12.152 10.289 1.00 0.00 ATOM 718 CE2 TRP A 92 41.553 12.043 8.877 1.00 0.00 ATOM 719 CE3 TRP A 92 41.522 13.420 10.881 1.00 0.00 ATOM 720 NE1 TRP A 92 41.704 10.726 8.541 1.00 0.00 ATOM 721 CZ2 TRP A 92 41.373 13.174 8.043 1.00 0.00 ATOM 722 CZ3 TRP A 92 41.332 14.511 10.062 1.00 0.00 ATOM 723 CH2 TRP A 92 41.275 14.381 8.659 1.00 0.00 ATOM 724 O TRP A 92 40.570 12.307 14.239 1.00 0.00 ATOM 725 C TRP A 92 40.060 11.582 13.387 1.00 0.00 ATOM 726 N TRP A 93 38.953 11.949 12.724 1.00 0.00 ATOM 727 CA TRP A 93 38.305 13.221 12.981 1.00 0.00 ATOM 728 CB TRP A 93 37.199 13.392 11.947 1.00 0.00 ATOM 729 CG TRP A 93 36.471 14.701 11.977 1.00 0.00 ATOM 730 CD1 TRP A 93 35.176 14.877 12.350 1.00 0.00 ATOM 731 CD2 TRP A 93 36.956 15.983 11.553 1.00 0.00 ATOM 732 CE2 TRP A 93 35.886 16.903 11.734 1.00 0.00 ATOM 733 CE3 TRP A 93 38.179 16.451 11.047 1.00 0.00 ATOM 734 NE1 TRP A 93 34.814 16.202 12.222 1.00 0.00 ATOM 735 CZ2 TRP A 93 36.001 18.248 11.400 1.00 0.00 ATOM 736 CZ3 TRP A 93 38.295 17.815 10.727 1.00 0.00 ATOM 737 CH2 TRP A 93 37.217 18.686 10.918 1.00 0.00 ATOM 738 O TRP A 93 37.644 14.482 14.893 1.00 0.00 ATOM 739 C TRP A 93 37.801 13.367 14.402 1.00 0.00 ATOM 740 N SER A 94 37.592 12.249 15.072 1.00 0.00 ATOM 741 CA SER A 94 37.102 12.238 16.458 1.00 0.00 ATOM 742 CB SER A 94 36.130 11.073 16.625 1.00 0.00 ATOM 743 OG SER A 94 35.040 11.243 15.734 1.00 0.00 ATOM 744 O SER A 94 37.889 12.161 18.739 1.00 0.00 ATOM 745 C SER A 94 38.193 12.169 17.542 1.00 0.00 ATOM 746 N ARG A 95 39.454 12.116 17.141 1.00 0.00 ATOM 747 CA ARG A 95 40.587 12.012 18.055 1.00 0.00 ATOM 748 CB ARG A 95 41.670 11.156 17.393 1.00 0.00 ATOM 749 CG ARG A 95 41.219 9.733 17.159 1.00 0.00 ATOM 750 CD ARG A 95 42.367 8.849 16.649 1.00 0.00 ATOM 751 NE ARG A 95 41.821 7.527 16.328 1.00 0.00 ATOM 752 CZ ARG A 95 41.857 6.943 15.126 1.00 0.00 ATOM 753 NH1 ARG A 95 42.513 7.504 14.103 1.00 0.00 ATOM 754 NH2 ARG A 95 41.247 5.786 14.950 1.00 0.00 ATOM 755 O ARG A 95 40.914 14.380 17.720 1.00 0.00 ATOM 756 C ARG A 95 41.169 13.391 18.414 1.00 0.00 ATOM 757 N ASP A 96 41.970 13.440 19.480 1.00 0.00 ATOM 758 CA ASP A 96 42.562 14.679 20.014 1.00 0.00 ATOM 759 CB ASP A 96 42.892 14.488 21.501 1.00 0.00 ATOM 760 CG ASP A 96 41.676 14.224 22.315 1.00 0.00 ATOM 761 OD1 ASP A 96 40.657 14.915 22.109 1.00 0.00 ATOM 762 OD2 ASP A 96 41.740 13.308 23.168 1.00 0.00 ATOM 763 O ASP A 96 44.873 15.352 19.884 1.00 0.00 ATOM 764 C ASP A 96 43.796 15.155 19.290 1.00 0.00 ATOM 765 N LEU A 97 43.653 15.342 17.986 1.00 0.00 ATOM 766 CA LEU A 97 44.729 15.880 17.211 1.00 0.00 ATOM 767 CB LEU A 97 44.363 15.850 15.738 1.00 0.00 ATOM 768 CG LEU A 97 44.679 14.577 14.974 1.00 0.00 ATOM 769 CD1 LEU A 97 43.832 13.428 15.480 1.00 0.00 ATOM 770 CD2 LEU A 97 44.448 14.803 13.484 1.00 0.00 ATOM 771 O LEU A 97 43.974 17.965 18.137 1.00 0.00 ATOM 772 C LEU A 97 44.929 17.307 17.656 1.00 0.00 ATOM 773 N ALA A 98 46.139 17.805 17.445 1.00 0.00 ATOM 774 CA ALA A 98 46.478 19.158 17.849 1.00 0.00 ATOM 775 CB ALA A 98 47.917 19.505 17.512 1.00 0.00 ATOM 776 O ALA A 98 45.053 21.063 17.850 1.00 0.00 ATOM 777 C ALA A 98 45.538 20.136 17.206 1.00 0.00 ATOM 778 N ARG A 99 45.278 19.954 15.914 1.00 0.00 ATOM 779 CA ARG A 99 44.381 20.855 15.183 1.00 0.00 ATOM 780 CB ARG A 99 45.200 21.898 14.465 1.00 0.00 ATOM 781 CG ARG A 99 46.056 22.684 15.430 1.00 0.00 ATOM 782 CD ARG A 99 46.276 24.075 14.966 1.00 0.00 ATOM 783 NE ARG A 99 47.437 24.669 15.614 1.00 0.00 ATOM 784 CZ ARG A 99 47.987 25.808 15.219 1.00 0.00 ATOM 785 NH1 ARG A 99 47.444 26.472 14.197 1.00 0.00 ATOM 786 NH2 ARG A 99 49.052 26.280 15.844 1.00 0.00 ATOM 787 O ARG A 99 44.056 19.208 13.467 1.00 0.00 ATOM 788 C ARG A 99 43.540 20.082 14.171 1.00 0.00 ATOM 789 N LYS A 100 42.252 20.395 14.089 1.00 0.00 ATOM 790 CA LYS A 100 41.359 19.817 13.095 1.00 0.00 ATOM 791 CB LYS A 100 40.432 18.781 13.714 1.00 0.00 ATOM 792 CG LYS A 100 41.160 17.598 14.316 1.00 0.00 ATOM 793 CD LYS A 100 40.175 16.615 14.871 1.00 0.00 ATOM 794 CE LYS A 100 39.610 17.109 16.175 1.00 0.00 ATOM 795 NZ LYS A 100 38.787 16.089 16.889 1.00 0.00 ATOM 796 O LYS A 100 39.919 21.687 13.210 1.00 0.00 ATOM 797 C LYS A 100 40.553 20.926 12.467 1.00 0.00 ATOM 798 N ASP A 101 40.597 21.016 11.147 1.00 0.00 ATOM 799 CA ASP A 101 39.877 22.022 10.401 1.00 0.00 ATOM 800 CB ASP A 101 40.883 23.015 9.835 1.00 0.00 ATOM 801 CG ASP A 101 41.653 23.712 10.941 1.00 0.00 ATOM 802 OD1 ASP A 101 40.993 24.466 11.699 1.00 0.00 ATOM 803 OD2 ASP A 101 42.889 23.464 11.111 1.00 0.00 ATOM 804 O ASP A 101 39.514 20.352 8.721 1.00 0.00 ATOM 805 C ASP A 101 39.101 21.385 9.283 1.00 0.00 ATOM 806 N PHE A 102 37.981 22.014 8.943 1.00 0.00 ATOM 807 CA PHE A 102 37.190 21.603 7.797 1.00 0.00 ATOM 808 CB PHE A 102 35.745 21.246 8.159 1.00 0.00 ATOM 809 CG PHE A 102 35.031 20.500 7.064 1.00 0.00 ATOM 810 CD1 PHE A 102 35.302 19.145 6.865 1.00 0.00 ATOM 811 CD2 PHE A 102 34.129 21.139 6.203 1.00 0.00 ATOM 812 CE1 PHE A 102 34.662 18.429 5.867 1.00 0.00 ATOM 813 CE2 PHE A 102 33.493 20.418 5.177 1.00 0.00 ATOM 814 CZ PHE A 102 33.755 19.069 4.995 1.00 0.00 ATOM 815 O PHE A 102 36.887 23.904 7.191 1.00 0.00 ATOM 816 C PHE A 102 37.215 22.763 6.817 1.00 0.00 ATOM 817 N LEU A 103 37.606 22.475 5.580 1.00 0.00 ATOM 818 CA LEU A 103 37.628 23.495 4.528 1.00 0.00 ATOM 819 CB LEU A 103 38.858 23.289 3.627 1.00 0.00 ATOM 820 CG LEU A 103 40.208 23.594 4.265 1.00 0.00 ATOM 821 CD1 LEU A 103 40.595 22.682 5.423 1.00 0.00 ATOM 822 CD2 LEU A 103 41.315 23.444 3.202 1.00 0.00 ATOM 823 O LEU A 103 36.299 22.423 2.840 1.00 0.00 ATOM 824 C LEU A 103 36.365 23.313 3.707 1.00 0.00 ATOM 825 N PHE A 104 35.342 24.147 3.961 1.00 0.00 ATOM 826 CA PHE A 104 34.089 24.002 3.232 1.00 0.00 ATOM 827 CB PHE A 104 32.958 24.808 3.919 1.00 0.00 ATOM 828 CG PHE A 104 32.415 24.196 5.176 1.00 0.00 ATOM 829 CD1 PHE A 104 31.349 23.309 5.092 1.00 0.00 ATOM 830 CD2 PHE A 104 32.864 24.597 6.438 1.00 0.00 ATOM 831 CE1 PHE A 104 30.804 22.752 6.251 1.00 0.00 ATOM 832 CE2 PHE A 104 32.302 24.042 7.601 1.00 0.00 ATOM 833 CZ PHE A 104 31.269 23.145 7.489 1.00 0.00 ATOM 834 O PHE A 104 34.691 25.684 1.610 1.00 0.00 ATOM 835 C PHE A 104 34.219 24.547 1.810 1.00 0.00 ATOM 836 N TYR A 105 33.765 23.775 0.835 1.00 0.00 ATOM 837 CA TYR A 105 33.690 24.261 -0.531 1.00 0.00 ATOM 838 CB TYR A 105 33.292 23.119 -1.455 1.00 0.00 ATOM 839 CG TYR A 105 34.270 21.955 -1.492 1.00 0.00 ATOM 840 CD1 TYR A 105 35.653 22.153 -1.409 1.00 0.00 ATOM 841 CD2 TYR A 105 33.788 20.675 -1.694 1.00 0.00 ATOM 842 CE1 TYR A 105 36.531 21.047 -1.524 1.00 0.00 ATOM 843 CE2 TYR A 105 34.673 19.584 -1.754 1.00 0.00 ATOM 844 CZ TYR A 105 36.016 19.795 -1.699 1.00 0.00 ATOM 845 OH TYR A 105 36.895 18.722 -1.786 1.00 0.00 ATOM 846 O TYR A 105 31.758 25.502 0.236 1.00 0.00 ATOM 847 C TYR A 105 32.664 25.384 -0.615 1.00 0.00 ATOM 848 N THR A 106 32.814 26.233 -1.631 1.00 0.00 ATOM 849 CA THR A 106 31.886 27.355 -1.836 1.00 0.00 ATOM 850 CB THR A 106 32.633 28.693 -1.889 1.00 0.00 ATOM 851 CG2 THR A 106 33.273 29.069 -0.534 1.00 0.00 ATOM 852 OG1 THR A 106 33.637 28.628 -2.905 1.00 0.00 ATOM 853 O THR A 106 31.501 26.377 -4.021 1.00 0.00 ATOM 854 C THR A 106 31.129 27.171 -3.141 1.00 0.00 ATOM 855 N GLU A 107 30.064 27.945 -3.294 1.00 0.00 ATOM 856 CA GLU A 107 29.285 27.878 -4.523 1.00 0.00 ATOM 857 CB GLU A 107 28.050 28.762 -4.412 1.00 0.00 ATOM 858 CG GLU A 107 27.021 28.199 -3.472 1.00 0.00 ATOM 859 CD GLU A 107 26.502 26.838 -3.950 1.00 0.00 ATOM 860 OE1 GLU A 107 26.068 26.733 -5.127 1.00 0.00 ATOM 861 OE2 GLU A 107 26.541 25.859 -3.155 1.00 0.00 ATOM 862 O GLU A 107 30.804 29.303 -5.689 1.00 0.00 ATOM 863 C GLU A 107 30.085 28.296 -5.728 1.00 0.00 ATOM 864 N GLY A 108 30.005 27.468 -6.759 1.00 0.00 ATOM 865 CA GLY A 108 30.743 27.725 -7.990 1.00 0.00 ATOM 866 O GLY A 108 32.863 27.351 -9.029 1.00 0.00 ATOM 867 C GLY A 108 32.172 27.223 -8.015 1.00 0.00 ATOM 868 N LEU A 109 32.649 26.651 -6.923 1.00 0.00 ATOM 869 CA LEU A 109 34.050 26.226 -6.854 1.00 0.00 ATOM 870 CB LEU A 109 34.346 25.811 -5.410 1.00 0.00 ATOM 871 CG LEU A 109 35.791 25.408 -5.117 1.00 0.00 ATOM 872 CD1 LEU A 109 36.723 26.582 -5.276 1.00 0.00 ATOM 873 CD2 LEU A 109 35.865 24.926 -3.692 1.00 0.00 ATOM 874 O LEU A 109 33.504 24.121 -7.887 1.00 0.00 ATOM 875 C LEU A 109 34.315 25.055 -7.798 1.00 0.00 ATOM 876 N ASP A 110 35.460 25.094 -8.492 1.00 0.00 ATOM 877 CA ASP A 110 35.906 23.974 -9.327 1.00 0.00 ATOM 878 CB ASP A 110 36.895 24.480 -10.390 1.00 0.00 ATOM 879 CG ASP A 110 37.307 23.404 -11.377 1.00 0.00 ATOM 880 OD1 ASP A 110 37.133 22.189 -11.109 1.00 0.00 ATOM 881 OD2 ASP A 110 37.856 23.805 -12.417 1.00 0.00 ATOM 882 O ASP A 110 37.742 22.960 -8.171 1.00 0.00 ATOM 883 C ASP A 110 36.554 22.944 -8.411 1.00 0.00 ATOM 884 N VAL A 111 35.724 22.089 -7.837 1.00 0.00 ATOM 885 CA VAL A 111 36.203 21.155 -6.838 1.00 0.00 ATOM 886 CB VAL A 111 35.017 20.384 -6.196 1.00 0.00 ATOM 887 CG1 VAL A 111 35.509 19.223 -5.332 1.00 0.00 ATOM 888 CG2 VAL A 111 34.143 21.376 -5.394 1.00 0.00 ATOM 889 O VAL A 111 38.211 19.857 -6.697 1.00 0.00 ATOM 890 C VAL A 111 37.255 20.205 -7.378 1.00 0.00 ATOM 891 N ASP A 112 37.089 19.765 -8.621 1.00 0.00 ATOM 892 CA ASP A 112 38.076 18.834 -9.132 1.00 0.00 ATOM 893 CB ASP A 112 37.640 18.234 -10.482 1.00 0.00 ATOM 894 CG ASP A 112 36.522 17.173 -10.332 1.00 0.00 ATOM 895 OD1 ASP A 112 36.306 16.654 -9.215 1.00 0.00 ATOM 896 OD2 ASP A 112 35.906 16.821 -11.360 1.00 0.00 ATOM 897 O ASP A 112 40.495 18.830 -8.999 1.00 0.00 ATOM 898 C ASP A 112 39.464 19.491 -9.210 1.00 0.00 ATOM 899 N GLN A 113 39.485 20.779 -9.543 1.00 0.00 ATOM 900 CA GLN A 113 40.781 21.437 -9.590 1.00 0.00 ATOM 901 CB GLN A 113 40.650 22.736 -10.396 1.00 0.00 ATOM 902 CG GLN A 113 41.974 23.545 -10.417 1.00 0.00 ATOM 903 CD GLN A 113 43.075 22.783 -11.114 1.00 0.00 ATOM 904 OE1 GLN A 113 42.894 22.324 -12.228 1.00 0.00 ATOM 905 NE2 GLN A 113 44.203 22.627 -10.462 1.00 0.00 ATOM 906 O GLN A 113 42.564 21.542 -7.989 1.00 0.00 ATOM 907 C GLN A 113 41.357 21.657 -8.194 1.00 0.00 ATOM 908 N VAL A 114 40.493 21.962 -7.223 1.00 0.00 ATOM 909 CA VAL A 114 40.951 22.051 -5.820 1.00 0.00 ATOM 910 CB VAL A 114 39.783 22.408 -4.883 1.00 0.00 ATOM 911 CG1 VAL A 114 40.191 22.279 -3.408 1.00 0.00 ATOM 912 CG2 VAL A 114 39.305 23.809 -5.176 1.00 0.00 ATOM 913 O VAL A 114 42.658 20.703 -4.825 1.00 0.00 ATOM 914 C VAL A 114 41.577 20.730 -5.397 1.00 0.00 ATOM 915 N ILE A 115 40.915 19.615 -5.718 1.00 0.00 ATOM 916 CA ILE A 115 41.444 18.312 -5.313 1.00 0.00 ATOM 917 CB ILE A 115 40.455 17.194 -5.701 1.00 0.00 ATOM 918 CG1 ILE A 115 39.217 17.305 -4.809 1.00 0.00 ATOM 919 CG2 ILE A 115 41.124 15.806 -5.581 1.00 0.00 ATOM 920 CD1 ILE A 115 38.093 16.420 -5.241 1.00 0.00 ATOM 921 O ILE A 115 43.755 17.657 -5.333 1.00 0.00 ATOM 922 C ILE A 115 42.805 18.096 -5.984 1.00 0.00 ATOM 923 N ALA A 116 42.927 18.422 -7.285 1.00 0.00 ATOM 924 CA ALA A 116 44.228 18.251 -7.940 1.00 0.00 ATOM 925 CB ALA A 116 44.116 18.575 -9.439 1.00 0.00 ATOM 926 O ALA A 116 46.442 18.659 -7.083 1.00 0.00 ATOM 927 C ALA A 116 45.307 19.114 -7.301 1.00 0.00 ATOM 928 N THR A 117 44.963 20.352 -6.974 1.00 0.00 ATOM 929 CA THR A 117 45.945 21.232 -6.325 1.00 0.00 ATOM 930 CB THR A 117 45.347 22.624 -6.201 1.00 0.00 ATOM 931 CG2 THR A 117 46.317 23.567 -5.452 1.00 0.00 ATOM 932 OG1 THR A 117 45.173 23.146 -7.530 1.00 0.00 ATOM 933 O THR A 117 47.553 20.587 -4.625 1.00 0.00 ATOM 934 C THR A 117 46.364 20.646 -4.953 1.00 0.00 ATOM 935 N VAL A 118 45.380 20.233 -4.159 1.00 0.00 ATOM 936 CA VAL A 118 45.713 19.708 -2.837 1.00 0.00 ATOM 937 CB VAL A 118 44.448 19.487 -2.023 1.00 0.00 ATOM 938 CG1 VAL A 118 44.748 18.745 -0.727 1.00 0.00 ATOM 939 CG2 VAL A 118 43.780 20.832 -1.646 1.00 0.00 ATOM 940 O VAL A 118 47.487 18.246 -2.195 1.00 0.00 ATOM 941 C VAL A 118 46.537 18.431 -2.956 1.00 0.00 ATOM 942 N GLU A 119 46.185 17.549 -3.895 1.00 0.00 ATOM 943 CA GLU A 119 46.949 16.297 -4.057 1.00 0.00 ATOM 944 CB GLU A 119 46.258 15.377 -5.054 1.00 0.00 ATOM 945 CG GLU A 119 44.988 14.795 -4.502 1.00 0.00 ATOM 946 CD GLU A 119 44.216 13.945 -5.501 1.00 0.00 ATOM 947 OE1 GLU A 119 44.328 14.184 -6.728 1.00 0.00 ATOM 948 OE2 GLU A 119 43.436 13.086 -5.046 1.00 0.00 ATOM 949 O GLU A 119 49.211 15.645 -4.278 1.00 0.00 ATOM 950 C GLU A 119 48.376 16.542 -4.477 1.00 0.00 ATOM 951 N SER A 120 48.686 17.704 -5.068 1.00 0.00 ATOM 952 CA SER A 120 50.053 18.036 -5.464 1.00 0.00 ATOM 953 CB SER A 120 50.056 19.168 -6.518 1.00 0.00 ATOM 954 OG SER A 120 49.818 20.427 -5.906 1.00 0.00 ATOM 955 O SER A 120 52.159 18.467 -4.417 1.00 0.00 ATOM 956 C SER A 120 50.933 18.427 -4.265 1.00 0.00 ATOM 957 N LEU A 121 50.331 18.727 -3.112 1.00 0.00 ATOM 958 CA LEU A 121 51.120 19.174 -1.954 1.00 0.00 ATOM 959 CB LEU A 121 50.230 19.942 -0.982 1.00 0.00 ATOM 960 CG LEU A 121 49.447 21.127 -1.537 1.00 0.00 ATOM 961 CD1 LEU A 121 48.544 21.711 -0.448 1.00 0.00 ATOM 962 CD2 LEU A 121 50.395 22.174 -2.047 1.00 0.00 ATOM 963 O LEU A 121 51.125 16.959 -1.054 1.00 0.00 ATOM 964 C LEU A 121 51.758 17.992 -1.225 1.00 0.00 ATOM 965 N GLU A 122 53.002 18.146 -0.791 1.00 0.00 ATOM 966 CA GLU A 122 53.631 17.074 -0.041 1.00 0.00 ATOM 967 CB GLU A 122 55.147 17.117 -0.201 1.00 0.00 ATOM 968 CG GLU A 122 55.803 15.834 0.379 1.00 0.00 ATOM 969 CD GLU A 122 57.320 15.868 0.478 1.00 0.00 ATOM 970 OE1 GLU A 122 57.952 16.882 0.113 1.00 0.00 ATOM 971 OE2 GLU A 122 57.894 14.853 0.921 1.00 0.00 ATOM 972 O GLU A 122 53.743 18.084 2.147 1.00 0.00 ATOM 973 C GLU A 122 53.266 17.192 1.442 1.00 0.00 ATOM 974 N LEU A 123 52.399 16.297 1.881 1.00 0.00 ATOM 975 CA LEU A 123 51.949 16.311 3.269 1.00 0.00 ATOM 976 CB LEU A 123 50.708 15.439 3.420 1.00 0.00 ATOM 977 CG LEU A 123 49.532 15.792 2.502 1.00 0.00 ATOM 978 CD1 LEU A 123 48.344 14.906 2.825 1.00 0.00 ATOM 979 CD2 LEU A 123 49.158 17.294 2.601 1.00 0.00 ATOM 980 O LEU A 123 53.836 14.913 3.822 1.00 0.00 ATOM 981 C LEU A 123 53.026 15.781 4.187 1.00 0.00 ATOM 982 N LYS A 124 53.033 16.315 5.399 1.00 0.00 ATOM 983 CA LYS A 124 53.961 15.884 6.439 1.00 0.00 ATOM 984 CB LYS A 124 54.919 17.011 6.790 1.00 0.00 ATOM 985 CG LYS A 124 55.869 17.403 5.627 1.00 0.00 ATOM 986 CD LYS A 124 56.879 16.275 5.357 1.00 0.00 ATOM 987 CE LYS A 124 58.003 16.663 4.439 1.00 0.00 ATOM 988 NZ LYS A 124 59.075 15.623 4.508 1.00 0.00 ATOM 989 O LYS A 124 52.447 14.365 7.505 1.00 0.00 ATOM 990 C LYS A 124 53.134 15.397 7.644 1.00 0.00 ATOM 991 N ASP A 125 53.147 16.077 8.790 1.00 0.00 ATOM 992 CA ASP A 125 52.562 15.457 9.995 1.00 0.00 ATOM 993 CB ASP A 125 53.335 15.885 11.235 1.00 0.00 ATOM 994 CG ASP A 125 52.980 15.040 12.460 1.00 0.00 ATOM 995 OD1 ASP A 125 52.494 13.896 12.256 1.00 0.00 ATOM 996 OD2 ASP A 125 53.179 15.544 13.583 1.00 0.00 ATOM 997 O ASP A 125 50.627 16.581 10.952 1.00 0.00 ATOM 998 C ASP A 125 51.070 15.828 10.087 1.00 0.00 ATOM 999 N GLU A 126 50.317 15.289 9.136 1.00 0.00 ATOM 1000 CA GLU A 126 48.937 15.714 8.911 1.00 0.00 ATOM 1001 CB GLU A 126 48.917 17.060 8.163 1.00 0.00 ATOM 1002 CG GLU A 126 49.448 16.952 6.745 1.00 0.00 ATOM 1003 CD GLU A 126 49.998 18.280 6.262 1.00 0.00 ATOM 1004 OE1 GLU A 126 49.198 19.258 6.225 1.00 0.00 ATOM 1005 OE2 GLU A 126 51.203 18.346 5.964 1.00 0.00 ATOM 1006 O GLU A 126 48.898 13.767 7.490 1.00 0.00 ATOM 1007 C GLU A 126 48.237 14.634 8.099 1.00 0.00 ATOM 1008 N VAL A 127 46.900 14.646 8.126 1.00 0.00 ATOM 1009 CA VAL A 127 46.082 13.786 7.268 1.00 0.00 ATOM 1010 CB VAL A 127 45.558 12.492 7.992 1.00 0.00 ATOM 1011 CG1 VAL A 127 46.638 11.434 8.123 1.00 0.00 ATOM 1012 CG2 VAL A 127 44.915 12.802 9.340 1.00 0.00 ATOM 1013 O VAL A 127 44.362 15.424 7.490 1.00 0.00 ATOM 1014 C VAL A 127 44.889 14.570 6.772 1.00 0.00 ATOM 1015 N LEU A 128 44.464 14.286 5.550 1.00 0.00 ATOM 1016 CA LEU A 128 43.294 14.961 5.019 1.00 0.00 ATOM 1017 CB LEU A 128 43.656 16.200 4.168 1.00 0.00 ATOM 1018 CG LEU A 128 44.362 15.922 2.841 1.00 0.00 ATOM 1019 CD1 LEU A 128 43.408 15.627 1.690 1.00 0.00 ATOM 1020 CD2 LEU A 128 45.267 17.123 2.462 1.00 0.00 ATOM 1021 O LEU A 128 42.902 12.922 3.798 1.00 0.00 ATOM 1022 C LEU A 128 42.421 13.959 4.286 1.00 0.00 ATOM 1023 N TYR A 129 41.142 14.272 4.184 1.00 0.00 ATOM 1024 CA TYR A 129 40.180 13.418 3.502 1.00 0.00 ATOM 1025 CB TYR A 129 39.421 12.567 4.547 1.00 0.00 ATOM 1026 CG TYR A 129 38.483 11.571 3.916 1.00 0.00 ATOM 1027 CD1 TYR A 129 38.952 10.321 3.515 1.00 0.00 ATOM 1028 CD2 TYR A 129 37.150 11.885 3.659 1.00 0.00 ATOM 1029 CE1 TYR A 129 38.092 9.383 2.896 1.00 0.00 ATOM 1030 CE2 TYR A 129 36.288 10.958 3.022 1.00 0.00 ATOM 1031 CZ TYR A 129 36.788 9.720 2.659 1.00 0.00 ATOM 1032 OH TYR A 129 35.936 8.798 2.042 1.00 0.00 ATOM 1033 O TYR A 129 38.705 15.283 3.287 1.00 0.00 ATOM 1034 C TYR A 129 39.234 14.318 2.736 1.00 0.00 ATOM 1035 N PHE A 130 39.008 13.994 1.464 1.00 0.00 ATOM 1036 CA PHE A 130 38.083 14.780 0.648 1.00 0.00 ATOM 1037 CB PHE A 130 38.456 14.602 -0.833 1.00 0.00 ATOM 1038 CG PHE A 130 39.814 15.175 -1.187 1.00 0.00 ATOM 1039 CD1 PHE A 130 39.997 16.551 -1.289 1.00 0.00 ATOM 1040 CD2 PHE A 130 40.905 14.344 -1.445 1.00 0.00 ATOM 1041 CE1 PHE A 130 41.246 17.086 -1.598 1.00 0.00 ATOM 1042 CE2 PHE A 130 42.177 14.881 -1.765 1.00 0.00 ATOM 1043 CZ PHE A 130 42.330 16.271 -1.844 1.00 0.00 ATOM 1044 O PHE A 130 36.285 13.175 0.468 1.00 0.00 ATOM 1045 C PHE A 130 36.662 14.286 0.886 1.00 0.00 ATOM 1046 N GLY A 131 35.880 15.109 1.583 1.00 0.00 ATOM 1047 CA GLY A 131 34.478 14.783 1.822 1.00 0.00 ATOM 1048 O GLY A 131 34.046 15.839 -0.274 1.00 0.00 ATOM 1049 C GLY A 131 33.579 15.349 0.739 1.00 0.00 ATOM 1050 N LYS A 132 32.271 15.292 0.933 1.00 0.00 ATOM 1051 CA LYS A 132 31.388 15.816 -0.097 1.00 0.00 ATOM 1052 CB LYS A 132 30.004 15.181 -0.036 1.00 0.00 ATOM 1053 CG LYS A 132 29.108 15.618 -1.195 1.00 0.00 ATOM 1054 CD LYS A 132 28.042 14.589 -1.542 1.00 0.00 ATOM 1055 CE LYS A 132 27.133 15.098 -2.664 1.00 0.00 ATOM 1056 NZ LYS A 132 27.887 15.519 -3.883 1.00 0.00 ATOM 1057 O LYS A 132 31.197 18.001 -1.092 1.00 0.00 ATOM 1058 C LYS A 132 31.271 17.339 -0.041 1.00 0.00 ATOM 1059 N LEU A 133 31.293 17.896 1.166 1.00 0.00 ATOM 1060 CA LEU A 133 31.106 19.338 1.348 1.00 0.00 ATOM 1061 CB LEU A 133 30.237 19.617 2.567 1.00 0.00 ATOM 1062 CG LEU A 133 28.807 19.088 2.459 1.00 0.00 ATOM 1063 CD1 LEU A 133 28.095 19.316 3.753 1.00 0.00 ATOM 1064 CD2 LEU A 133 28.066 19.803 1.324 1.00 0.00 ATOM 1065 O LEU A 133 32.409 21.323 1.548 1.00 0.00 ATOM 1066 C LEU A 133 32.415 20.097 1.487 1.00 0.00 ATOM 1067 N GLY A 134 33.530 19.383 1.542 1.00 0.00 ATOM 1068 CA GLY A 134 34.793 20.045 1.812 1.00 0.00 ATOM 1069 O GLY A 134 35.612 17.834 2.086 1.00 0.00 ATOM 1070 C GLY A 134 35.828 19.041 2.256 1.00 0.00 ATOM 1071 N ILE A 135 36.929 19.571 2.794 1.00 0.00 ATOM 1072 CA ILE A 135 38.100 18.761 3.098 1.00 0.00 ATOM 1073 CB ILE A 135 39.350 19.368 2.484 1.00 0.00 ATOM 1074 CG1 ILE A 135 39.153 19.512 0.978 1.00 0.00 ATOM 1075 CG2 ILE A 135 40.567 18.442 2.738 1.00 0.00 ATOM 1076 CD1 ILE A 135 40.274 20.318 0.324 1.00 0.00 ATOM 1077 O ILE A 135 38.405 19.756 5.266 1.00 0.00 ATOM 1078 C ILE A 135 38.290 18.704 4.608 1.00 0.00 ATOM 1079 N PHE A 136 38.343 17.487 5.173 1.00 0.00 ATOM 1080 CA PHE A 136 38.735 17.306 6.589 1.00 0.00 ATOM 1081 CB PHE A 136 38.312 15.931 7.110 1.00 0.00 ATOM 1082 CG PHE A 136 36.844 15.652 7.044 1.00 0.00 ATOM 1083 CD1 PHE A 136 36.036 15.936 8.137 1.00 0.00 ATOM 1084 CD2 PHE A 136 36.304 14.983 5.937 1.00 0.00 ATOM 1085 CE1 PHE A 136 34.666 15.642 8.104 1.00 0.00 ATOM 1086 CE2 PHE A 136 34.954 14.670 5.881 1.00 0.00 ATOM 1087 CZ PHE A 136 34.131 15.005 6.993 1.00 0.00 ATOM 1088 O PHE A 136 40.903 16.632 5.850 1.00 0.00 ATOM 1089 C PHE A 136 40.255 17.345 6.633 1.00 0.00 ATOM 1090 N TRP A 137 40.861 18.131 7.513 1.00 0.00 ATOM 1091 CA TRP A 137 42.320 18.245 7.497 1.00 0.00 ATOM 1092 CB TRP A 137 42.729 19.436 6.637 1.00 0.00 ATOM 1093 CG TRP A 137 44.163 19.441 6.138 1.00 0.00 ATOM 1094 CD1 TRP A 137 45.297 18.928 6.737 1.00 0.00 ATOM 1095 CD2 TRP A 137 44.586 20.047 4.940 1.00 0.00 ATOM 1096 CE2 TRP A 137 45.996 19.872 4.841 1.00 0.00 ATOM 1097 CE3 TRP A 137 43.908 20.715 3.912 1.00 0.00 ATOM 1098 NE1 TRP A 137 46.403 19.158 5.939 1.00 0.00 ATOM 1099 CZ2 TRP A 137 46.730 20.340 3.761 1.00 0.00 ATOM 1100 CZ3 TRP A 137 44.630 21.213 2.853 1.00 0.00 ATOM 1101 CH2 TRP A 137 46.033 21.001 2.774 1.00 0.00 ATOM 1102 O TRP A 137 42.595 19.360 9.643 1.00 0.00 ATOM 1103 C TRP A 137 42.821 18.344 8.930 1.00 0.00 ATOM 1104 N GLY A 138 43.481 17.276 9.369 1.00 0.00 ATOM 1105 CA GLY A 138 43.991 17.177 10.734 1.00 0.00 ATOM 1106 O GLY A 138 46.190 16.852 9.866 1.00 0.00 ATOM 1107 C GLY A 138 45.496 17.339 10.749 1.00 0.00 ATOM 1108 N LYS A 139 45.995 18.062 11.746 1.00 0.00 ATOM 1109 CA LYS A 139 47.433 18.228 11.964 1.00 0.00 ATOM 1110 CB LYS A 139 47.826 19.704 11.889 1.00 0.00 ATOM 1111 CG LYS A 139 47.882 20.283 10.485 1.00 0.00 ATOM 1112 CD LYS A 139 46.512 20.522 9.807 1.00 0.00 ATOM 1113 CE LYS A 139 45.556 21.407 10.575 1.00 0.00 ATOM 1114 NZ LYS A 139 44.309 21.701 9.752 1.00 0.00 ATOM 1115 O LYS A 139 47.113 18.007 14.364 1.00 0.00 ATOM 1116 C LYS A 139 47.730 17.632 13.350 1.00 0.00 ATOM 1117 N PHE A 140 48.701 16.726 13.443 1.00 0.00 ATOM 1118 CA PHE A 140 48.839 15.924 14.657 1.00 0.00 ATOM 1119 CB PHE A 140 49.603 14.632 14.346 1.00 0.00 ATOM 1120 CG PHE A 140 48.838 13.697 13.467 1.00 0.00 ATOM 1121 CD1 PHE A 140 47.706 13.041 13.962 1.00 0.00 ATOM 1122 CD2 PHE A 140 49.244 13.482 12.164 1.00 0.00 ATOM 1123 CE1 PHE A 140 46.986 12.175 13.124 1.00 0.00 ATOM 1124 CE2 PHE A 140 48.532 12.626 11.325 1.00 0.00 ATOM 1125 CZ PHE A 140 47.405 11.968 11.842 1.00 0.00 ATOM 1126 O PHE A 140 49.129 16.293 16.977 1.00 0.00 ATOM 1127 C PHE A 140 49.468 16.625 15.832 1.00 0.00 ATOM 1128 N SER A 141 50.382 17.565 15.593 1.00 0.00 ATOM 1129 CA SER A 141 51.221 18.075 16.699 1.00 0.00 ATOM 1130 CB SER A 141 52.503 17.234 16.754 1.00 0.00 ATOM 1131 OG SER A 141 53.458 17.762 17.660 1.00 0.00 ATOM 1132 O SER A 141 51.945 19.989 15.459 1.00 0.00 ATOM 1133 C SER A 141 51.577 19.535 16.548 1.00 0.00 ATOM 1134 N GLU A 142 51.520 20.272 17.650 1.00 0.00 ATOM 1135 CA GLU A 142 52.029 21.651 17.659 1.00 0.00 ATOM 1136 CB GLU A 142 51.725 22.357 18.991 1.00 0.00 ATOM 1137 CG GLU A 142 50.258 22.564 19.201 1.00 0.00 ATOM 1138 CD GLU A 142 49.612 23.557 18.228 1.00 0.00 ATOM 1139 OE1 GLU A 142 50.335 24.376 17.610 1.00 0.00 ATOM 1140 OE2 GLU A 142 48.374 23.532 18.088 1.00 0.00 ATOM 1141 O GLU A 142 53.968 22.663 16.695 1.00 0.00 ATOM 1142 C GLU A 142 53.517 21.702 17.338 1.00 0.00 ATOM 1143 N GLU A 143 54.280 20.703 17.760 1.00 0.00 ATOM 1144 CA GLU A 143 55.720 20.696 17.511 1.00 0.00 ATOM 1145 CB GLU A 143 56.389 19.494 18.195 1.00 0.00 ATOM 1146 CG GLU A 143 57.919 19.414 18.010 1.00 0.00 ATOM 1147 CD GLU A 143 58.580 18.243 18.740 1.00 0.00 ATOM 1148 OE1 GLU A 143 57.908 17.204 18.983 1.00 0.00 ATOM 1149 OE2 GLU A 143 59.792 18.355 19.062 1.00 0.00 ATOM 1150 O GLU A 143 57.023 21.270 15.585 1.00 0.00 ATOM 1151 C GLU A 143 56.039 20.675 16.022 1.00 0.00 ATOM 1152 N SER A 144 55.226 19.951 15.253 1.00 0.00 ATOM 1153 CA SER A 144 55.490 19.719 13.825 1.00 0.00 ATOM 1154 CB SER A 144 55.228 18.254 13.478 1.00 0.00 ATOM 1155 OG SER A 144 53.867 17.962 13.706 1.00 0.00 ATOM 1156 O SER A 144 54.718 20.529 11.686 1.00 0.00 ATOM 1157 C SER A 144 54.605 20.593 12.920 1.00 0.00 ATOM 1158 N TYR A 145 53.712 21.378 13.515 1.00 0.00 ATOM 1159 CA TYR A 145 52.719 22.122 12.775 1.00 0.00 ATOM 1160 CB TYR A 145 51.839 22.945 13.732 1.00 0.00 ATOM 1161 CG TYR A 145 50.813 23.740 12.995 1.00 0.00 ATOM 1162 CD1 TYR A 145 49.683 23.121 12.477 1.00 0.00 ATOM 1163 CD2 TYR A 145 51.007 25.100 12.723 1.00 0.00 ATOM 1164 CE1 TYR A 145 48.748 23.846 11.749 1.00 0.00 ATOM 1165 CE2 TYR A 145 50.067 25.830 12.013 1.00 0.00 ATOM 1166 CZ TYR A 145 48.939 25.197 11.528 1.00 0.00 ATOM 1167 OH TYR A 145 47.997 25.914 10.802 1.00 0.00 ATOM 1168 O TYR A 145 52.841 23.103 10.588 1.00 0.00 ATOM 1169 C TYR A 145 53.342 23.022 11.713 1.00 0.00 ATOM 1170 N SER A 146 54.443 23.697 12.062 1.00 0.00 ATOM 1171 CA SER A 146 54.995 24.649 11.093 1.00 0.00 ATOM 1172 CB SER A 146 56.027 25.584 11.751 1.00 0.00 ATOM 1173 OG SER A 146 57.171 24.854 12.110 1.00 0.00 ATOM 1174 O SER A 146 55.916 24.677 8.891 1.00 0.00 ATOM 1175 C SER A 146 55.616 23.971 9.883 1.00 0.00 ATOM 1176 N LYS A 147 55.785 22.643 9.927 1.00 0.00 ATOM 1177 CA LYS A 147 56.293 21.904 8.773 1.00 0.00 ATOM 1178 CB LYS A 147 57.291 20.822 9.211 1.00 0.00 ATOM 1179 CG LYS A 147 58.619 21.424 9.694 1.00 0.00 ATOM 1180 CD LYS A 147 59.592 20.331 10.099 1.00 0.00 ATOM 1181 CE LYS A 147 59.319 19.865 11.504 1.00 0.00 ATOM 1182 NZ LYS A 147 59.854 20.854 12.509 1.00 0.00 ATOM 1183 O LYS A 147 55.472 20.683 6.897 1.00 0.00 ATOM 1184 C LYS A 147 55.184 21.286 7.924 1.00 0.00 ATOM 1185 N THR A 148 53.918 21.479 8.308 1.00 0.00 ATOM 1186 CA THR A 148 52.836 20.869 7.563 1.00 0.00 ATOM 1187 CB THR A 148 51.531 20.813 8.367 1.00 0.00 ATOM 1188 CG2 THR A 148 51.673 19.918 9.595 1.00 0.00 ATOM 1189 OG1 THR A 148 51.075 22.135 8.717 1.00 0.00 ATOM 1190 O THR A 148 52.815 22.817 6.157 1.00 0.00 ATOM 1191 C THR A 148 52.554 21.607 6.267 1.00 0.00 ATOM 1192 N ALA A 149 52.023 20.884 5.299 1.00 0.00 ATOM 1193 CA ALA A 149 51.565 21.542 4.075 1.00 0.00 ATOM 1194 CB ALA A 149 51.101 20.480 3.094 1.00 0.00 ATOM 1195 O ALA A 149 50.306 23.563 3.742 1.00 0.00 ATOM 1196 C ALA A 149 50.442 22.512 4.398 1.00 0.00 ATOM 1197 N TYR A 150 49.570 22.168 5.347 1.00 0.00 ATOM 1198 CA TYR A 150 48.477 23.063 5.705 1.00 0.00 ATOM 1199 CB TYR A 150 47.705 22.493 6.909 1.00 0.00 ATOM 1200 CG TYR A 150 46.478 23.276 7.289 1.00 0.00 ATOM 1201 CD1 TYR A 150 45.275 23.038 6.653 1.00 0.00 ATOM 1202 CD2 TYR A 150 46.525 24.259 8.258 1.00 0.00 ATOM 1203 CE1 TYR A 150 44.125 23.784 6.985 1.00 0.00 ATOM 1204 CE2 TYR A 150 45.387 25.009 8.589 1.00 0.00 ATOM 1205 CZ TYR A 150 44.201 24.744 7.941 1.00 0.00 ATOM 1206 OH TYR A 150 43.059 25.456 8.247 1.00 0.00 ATOM 1207 O TYR A 150 48.555 25.473 5.545 1.00 0.00 ATOM 1208 C TYR A 150 49.046 24.437 6.057 1.00 0.00 ATOM 1209 N HIS A 151 50.053 24.485 6.911 1.00 0.00 ATOM 1210 CA HIS A 151 50.637 25.747 7.322 1.00 0.00 ATOM 1211 CB HIS A 151 51.552 25.518 8.523 1.00 0.00 ATOM 1212 CG HIS A 151 52.294 26.750 8.923 1.00 0.00 ATOM 1213 CD2 HIS A 151 53.599 27.074 8.807 1.00 0.00 ATOM 1214 ND1 HIS A 151 51.654 27.852 9.461 1.00 0.00 ATOM 1215 CE1 HIS A 151 52.558 28.795 9.688 1.00 0.00 ATOM 1216 NE2 HIS A 151 53.743 28.348 9.312 1.00 0.00 ATOM 1217 O HIS A 151 51.325 27.622 5.984 1.00 0.00 ATOM 1218 C HIS A 151 51.439 26.405 6.221 1.00 0.00 ATOM 1219 N LYS A 152 52.270 25.618 5.548 1.00 0.00 ATOM 1220 CA LYS A 152 53.230 26.201 4.627 1.00 0.00 ATOM 1221 CB LYS A 152 54.389 25.230 4.387 1.00 0.00 ATOM 1222 CG LYS A 152 55.233 24.987 5.632 1.00 0.00 ATOM 1223 CD LYS A 152 56.237 23.864 5.393 1.00 0.00 ATOM 1224 CE LYS A 152 57.177 24.192 4.240 1.00 0.00 ATOM 1225 NZ LYS A 152 58.260 23.172 4.141 1.00 0.00 ATOM 1226 O LYS A 152 53.134 27.527 2.674 1.00 0.00 ATOM 1227 C LYS A 152 52.628 26.595 3.317 1.00 0.00 ATOM 1228 N TYR A 153 51.575 25.908 2.869 1.00 0.00 ATOM 1229 CA TYR A 153 51.148 26.086 1.491 1.00 0.00 ATOM 1230 CB TYR A 153 51.316 24.776 0.669 1.00 0.00 ATOM 1231 CG TYR A 153 52.695 24.112 0.749 1.00 0.00 ATOM 1232 CD1 TYR A 153 53.879 24.836 0.648 1.00 0.00 ATOM 1233 CD2 TYR A 153 52.803 22.739 0.969 1.00 0.00 ATOM 1234 CE1 TYR A 153 55.149 24.197 0.741 1.00 0.00 ATOM 1235 CE2 TYR A 153 54.060 22.094 1.079 1.00 0.00 ATOM 1236 CZ TYR A 153 55.216 22.828 0.971 1.00 0.00 ATOM 1237 OH TYR A 153 56.443 22.180 1.061 1.00 0.00 ATOM 1238 O TYR A 153 49.432 27.050 0.155 1.00 0.00 ATOM 1239 C TYR A 153 49.753 26.640 1.284 1.00 0.00 ATOM 1240 N LEU A 154 48.898 26.666 2.302 1.00 0.00 ATOM 1241 CA LEU A 154 47.526 27.073 2.018 1.00 0.00 ATOM 1242 CB LEU A 154 46.592 26.803 3.184 1.00 0.00 ATOM 1243 CG LEU A 154 45.948 25.406 3.089 1.00 0.00 ATOM 1244 CD1 LEU A 154 45.063 25.171 4.312 1.00 0.00 ATOM 1245 CD2 LEU A 154 45.137 25.176 1.794 1.00 0.00 ATOM 1246 O LEU A 154 46.588 28.738 0.630 1.00 0.00 ATOM 1247 C LEU A 154 47.431 28.490 1.494 1.00 0.00 ATOM 1248 N LEU A 155 48.243 29.428 1.991 1.00 0.00 ATOM 1249 CA LEU A 155 48.191 30.784 1.432 1.00 0.00 ATOM 1250 CB LEU A 155 48.915 31.801 2.309 1.00 0.00 ATOM 1251 CG LEU A 155 48.248 32.098 3.652 1.00 0.00 ATOM 1252 CD1 LEU A 155 49.217 32.949 4.486 1.00 0.00 ATOM 1253 CD2 LEU A 155 46.942 32.851 3.463 1.00 0.00 ATOM 1254 O LEU A 155 48.535 31.892 -0.639 1.00 0.00 ATOM 1255 C LEU A 155 48.727 30.882 0.020 1.00 0.00 ATOM 1256 N LYS A 156 49.394 29.832 -0.443 1.00 0.00 ATOM 1257 CA LYS A 156 49.919 29.828 -1.801 1.00 0.00 ATOM 1258 CB LYS A 156 51.195 28.978 -1.873 1.00 0.00 ATOM 1259 CG LYS A 156 52.337 29.501 -1.041 1.00 0.00 ATOM 1260 CD LYS A 156 53.491 28.499 -1.075 1.00 0.00 ATOM 1261 CE LYS A 156 54.543 28.809 -0.044 1.00 0.00 ATOM 1262 NZ LYS A 156 55.321 29.972 -0.374 1.00 0.00 ATOM 1263 O LYS A 156 49.246 29.368 -4.027 1.00 0.00 ATOM 1264 C LYS A 156 48.931 29.303 -2.836 1.00 0.00 ATOM 1265 N VAL A 157 47.766 28.791 -2.428 1.00 0.00 ATOM 1266 CA VAL A 157 46.869 28.157 -3.405 1.00 0.00 ATOM 1267 CB VAL A 157 46.138 26.890 -2.862 1.00 0.00 ATOM 1268 CG1 VAL A 157 47.158 25.842 -2.449 1.00 0.00 ATOM 1269 CG2 VAL A 157 45.194 27.259 -1.714 1.00 0.00 ATOM 1270 O VAL A 157 45.383 30.056 -3.232 1.00 0.00 ATOM 1271 C VAL A 157 45.857 29.169 -3.948 1.00 0.00 ATOM 1272 N PRO A 158 45.475 29.043 -5.220 1.00 0.00 ATOM 1273 CA PRO A 158 44.516 29.947 -5.814 1.00 0.00 ATOM 1274 CB PRO A 158 44.483 29.496 -7.295 1.00 0.00 ATOM 1275 CG PRO A 158 45.706 28.783 -7.495 1.00 0.00 ATOM 1276 CD PRO A 158 46.064 28.130 -6.214 1.00 0.00 ATOM 1277 O PRO A 158 42.359 30.849 -5.364 1.00 0.00 ATOM 1278 C PRO A 158 43.117 29.894 -5.206 1.00 0.00 ATOM 1279 N PHE A 159 42.782 28.782 -4.569 1.00 0.00 ATOM 1280 CA PHE A 159 41.419 28.567 -4.085 1.00 0.00 ATOM 1281 CB PHE A 159 40.980 27.079 -4.207 1.00 0.00 ATOM 1282 CG PHE A 159 41.758 26.109 -3.330 1.00 0.00 ATOM 1283 CD1 PHE A 159 41.476 25.971 -1.977 1.00 0.00 ATOM 1284 CD2 PHE A 159 42.764 25.296 -3.877 1.00 0.00 ATOM 1285 CE1 PHE A 159 42.181 25.070 -1.167 1.00 0.00 ATOM 1286 CE2 PHE A 159 43.453 24.411 -3.092 1.00 0.00 ATOM 1287 CZ PHE A 159 43.175 24.290 -1.745 1.00 0.00 ATOM 1288 O PHE A 159 40.085 28.991 -2.184 1.00 0.00 ATOM 1289 C PHE A 159 41.188 29.073 -2.676 1.00 0.00 ATOM 1290 N TYR A 160 42.207 29.636 -2.023 1.00 0.00 ATOM 1291 CA TYR A 160 42.088 29.971 -0.625 1.00 0.00 ATOM 1292 CB TYR A 160 43.384 30.636 -0.177 1.00 0.00 ATOM 1293 CG TYR A 160 43.443 30.940 1.279 1.00 0.00 ATOM 1294 CD1 TYR A 160 43.706 29.914 2.183 1.00 0.00 ATOM 1295 CD2 TYR A 160 43.209 32.222 1.759 1.00 0.00 ATOM 1296 CE1 TYR A 160 43.747 30.133 3.516 1.00 0.00 ATOM 1297 CE2 TYR A 160 43.248 32.463 3.165 1.00 0.00 ATOM 1298 CZ TYR A 160 43.522 31.380 4.004 1.00 0.00 ATOM 1299 OH TYR A 160 43.603 31.515 5.384 1.00 0.00 ATOM 1300 O TYR A 160 40.209 30.656 0.700 1.00 0.00 ATOM 1301 C TYR A 160 40.904 30.893 -0.304 1.00 0.00 ATOM 1302 N ARG A 161 40.651 31.897 -1.125 1.00 0.00 ATOM 1303 CA ARG A 161 39.577 32.827 -0.802 1.00 0.00 ATOM 1304 CB ARG A 161 39.814 34.156 -1.506 1.00 0.00 ATOM 1305 CG ARG A 161 40.998 34.966 -0.867 1.00 0.00 ATOM 1306 CD ARG A 161 41.413 36.203 -1.676 1.00 0.00 ATOM 1307 NE ARG A 161 40.268 36.943 -2.159 1.00 0.00 ATOM 1308 CZ ARG A 161 39.622 37.888 -1.490 1.00 0.00 ATOM 1309 NH1 ARG A 161 40.055 38.291 -0.294 1.00 0.00 ATOM 1310 NH2 ARG A 161 38.552 38.469 -2.065 1.00 0.00 ATOM 1311 O ARG A 161 37.200 32.936 -1.060 1.00 0.00 ATOM 1312 C ARG A 161 38.220 32.253 -1.199 1.00 0.00 ATOM 1313 N HIS A 162 38.208 31.014 -1.690 1.00 0.00 ATOM 1314 CA HIS A 162 37.014 30.326 -2.210 1.00 0.00 ATOM 1315 CB HIS A 162 37.145 30.078 -3.708 1.00 0.00 ATOM 1316 CG HIS A 162 37.308 31.351 -4.456 1.00 0.00 ATOM 1317 CD2 HIS A 162 38.416 32.039 -4.824 1.00 0.00 ATOM 1318 ND1 HIS A 162 36.233 32.130 -4.800 1.00 0.00 ATOM 1319 CE1 HIS A 162 36.662 33.229 -5.399 1.00 0.00 ATOM 1320 NE2 HIS A 162 37.983 33.204 -5.414 1.00 0.00 ATOM 1321 O HIS A 162 36.032 28.169 -1.937 1.00 0.00 ATOM 1322 C HIS A 162 36.750 29.050 -1.447 1.00 0.00 ATOM 1323 N ILE A 163 37.253 28.989 -0.221 1.00 0.00 ATOM 1324 CA ILE A 163 36.843 27.973 0.724 1.00 0.00 ATOM 1325 CB ILE A 163 37.913 26.882 0.936 1.00 0.00 ATOM 1326 CG1 ILE A 163 39.259 27.514 1.275 1.00 0.00 ATOM 1327 CG2 ILE A 163 37.967 25.930 -0.257 1.00 0.00 ATOM 1328 CD1 ILE A 163 40.250 26.560 1.833 1.00 0.00 ATOM 1329 O ILE A 163 37.062 29.821 2.253 1.00 0.00 ATOM 1330 C ILE A 163 36.569 28.698 2.024 1.00 0.00 ATOM 1331 N THR A 164 35.791 28.045 2.884 1.00 0.00 ATOM 1332 CA THR A 164 35.426 28.638 4.177 1.00 0.00 ATOM 1333 CB THR A 164 33.890 28.822 4.273 1.00 0.00 ATOM 1334 CG2 THR A 164 33.553 29.686 5.434 1.00 0.00 ATOM 1335 OG1 THR A 164 33.393 29.411 3.055 1.00 0.00 ATOM 1336 O THR A 164 35.417 26.602 5.403 1.00 0.00 ATOM 1337 C THR A 164 35.927 27.707 5.262 1.00 0.00 ATOM 1338 N ILE A 165 36.903 28.168 6.026 1.00 0.00 ATOM 1339 CA ILE A 165 37.582 27.276 6.958 1.00 0.00 ATOM 1340 CB ILE A 165 39.074 27.602 7.041 1.00 0.00 ATOM 1341 CG1 ILE A 165 39.683 27.553 5.631 1.00 0.00 ATOM 1342 CG2 ILE A 165 39.755 26.599 7.993 1.00 0.00 ATOM 1343 CD1 ILE A 165 41.220 27.689 5.607 1.00 0.00 ATOM 1344 O ILE A 165 36.777 28.504 8.845 1.00 0.00 ATOM 1345 C ILE A 165 36.957 27.391 8.331 1.00 0.00 ATOM 1346 N ARG A 166 36.641 26.245 8.933 1.00 0.00 ATOM 1347 CA ARG A 166 36.135 26.260 10.306 1.00 0.00 ATOM 1348 CB ARG A 166 34.614 25.985 10.313 1.00 0.00 ATOM 1349 CG ARG A 166 33.769 27.039 9.591 1.00 0.00 ATOM 1350 CD ARG A 166 33.795 28.326 10.361 1.00 0.00 ATOM 1351 NE ARG A 166 32.913 29.356 9.785 1.00 0.00 ATOM 1352 CZ ARG A 166 33.321 30.343 8.986 1.00 0.00 ATOM 1353 NH1 ARG A 166 34.582 30.433 8.551 1.00 0.00 ATOM 1354 NH2 ARG A 166 32.431 31.248 8.592 1.00 0.00 ATOM 1355 O ARG A 166 37.103 24.094 10.535 1.00 0.00 ATOM 1356 C ARG A 166 36.827 25.164 11.064 1.00 0.00 ATOM 1357 N ASN A 167 37.070 25.393 12.346 1.00 0.00 ATOM 1358 CA ASN A 167 37.639 24.330 13.177 1.00 0.00 ATOM 1359 CB ASN A 167 38.352 24.872 14.422 1.00 0.00 ATOM 1360 CG ASN A 167 37.434 25.531 15.403 1.00 0.00 ATOM 1361 ND2 ASN A 167 37.995 26.460 16.164 1.00 0.00 ATOM 1362 OD1 ASN A 167 36.244 25.237 15.494 1.00 0.00 ATOM 1363 O ASN A 167 35.413 23.402 13.206 1.00 0.00 ATOM 1364 C ASN A 167 36.605 23.240 13.483 1.00 0.00 ATOM 1365 N ALA A 168 37.060 22.110 14.011 1.00 0.00 ATOM 1366 CA ALA A 168 36.151 21.003 14.235 1.00 0.00 ATOM 1367 CB ALA A 168 36.951 19.785 14.727 1.00 0.00 ATOM 1368 O ALA A 168 33.928 20.808 15.064 1.00 0.00 ATOM 1369 C ALA A 168 35.032 21.319 15.212 1.00 0.00 ATOM 1370 N LYS A 169 35.318 22.131 16.226 1.00 0.00 ATOM 1371 CA LYS A 169 34.254 22.481 17.190 1.00 0.00 ATOM 1372 CB LYS A 169 34.803 23.322 18.354 1.00 0.00 ATOM 1373 CG LYS A 169 35.732 22.564 19.303 1.00 0.00 ATOM 1374 CD LYS A 169 34.970 21.867 20.396 1.00 0.00 ATOM 1375 CE LYS A 169 35.930 21.157 21.366 1.00 0.00 ATOM 1376 NZ LYS A 169 35.204 20.468 22.458 1.00 0.00 ATOM 1377 O LYS A 169 31.958 23.048 16.747 1.00 0.00 ATOM 1378 C LYS A 169 33.150 23.250 16.488 1.00 0.00 ATOM 1379 N THR A 170 33.550 24.145 15.590 1.00 0.00 ATOM 1380 CA THR A 170 32.581 24.955 14.871 1.00 0.00 ATOM 1381 CB THR A 170 33.245 26.213 14.297 1.00 0.00 ATOM 1382 CG2 THR A 170 32.214 27.112 13.613 1.00 0.00 ATOM 1383 OG1 THR A 170 33.872 26.933 15.369 1.00 0.00 ATOM 1384 O THR A 170 30.634 24.325 13.567 1.00 0.00 ATOM 1385 C THR A 170 31.841 24.154 13.792 1.00 0.00 ATOM 1386 N PHE A 171 32.554 23.243 13.132 1.00 0.00 ATOM 1387 CA PHE A 171 31.900 22.276 12.259 1.00 0.00 ATOM 1388 CB PHE A 171 32.985 21.298 11.777 1.00 0.00 ATOM 1389 CG PHE A 171 32.493 20.151 10.938 1.00 0.00 ATOM 1390 CD1 PHE A 171 32.489 20.239 9.552 1.00 0.00 ATOM 1391 CD2 PHE A 171 32.095 18.952 11.537 1.00 0.00 ATOM 1392 CE1 PHE A 171 32.086 19.141 8.761 1.00 0.00 ATOM 1393 CE2 PHE A 171 31.670 17.881 10.765 1.00 0.00 ATOM 1394 CZ PHE A 171 31.680 17.972 9.379 1.00 0.00 ATOM 1395 O PHE A 171 29.630 21.469 12.510 1.00 0.00 ATOM 1396 C PHE A 171 30.754 21.571 13.013 1.00 0.00 ATOM 1397 N ASP A 172 31.006 21.104 14.238 1.00 0.00 ATOM 1398 CA ASP A 172 29.929 20.466 15.011 1.00 0.00 ATOM 1399 CB ASP A 172 30.446 19.880 16.320 1.00 0.00 ATOM 1400 CG ASP A 172 31.346 18.695 16.115 1.00 0.00 ATOM 1401 OD1 ASP A 172 31.256 18.043 15.061 1.00 0.00 ATOM 1402 OD2 ASP A 172 32.126 18.387 17.045 1.00 0.00 ATOM 1403 O ASP A 172 27.617 21.069 15.245 1.00 0.00 ATOM 1404 C ASP A 172 28.787 21.436 15.323 1.00 0.00 ATOM 1405 N LYS A 173 29.143 22.661 15.696 1.00 0.00 ATOM 1406 CA LYS A 173 28.141 23.687 15.996 1.00 0.00 ATOM 1407 CB LYS A 173 28.814 24.969 16.490 1.00 0.00 ATOM 1408 CG LYS A 173 29.418 24.873 17.888 1.00 0.00 ATOM 1409 CD LYS A 173 28.380 24.944 19.023 1.00 0.00 ATOM 1410 CE LYS A 173 29.072 25.230 20.356 1.00 0.00 ATOM 1411 NZ LYS A 173 28.164 25.277 21.550 1.00 0.00 ATOM 1412 O LYS A 173 26.049 24.230 14.966 1.00 0.00 ATOM 1413 C LYS A 173 27.246 23.971 14.800 1.00 0.00 ATOM 1414 N ILE A 174 27.821 23.932 13.595 1.00 0.00 ATOM 1415 CA ILE A 174 27.072 24.144 12.363 1.00 0.00 ATOM 1416 CB ILE A 174 28.039 24.262 11.152 1.00 0.00 ATOM 1417 CG1 ILE A 174 28.724 25.623 11.207 1.00 0.00 ATOM 1418 CG2 ILE A 174 27.316 24.034 9.816 1.00 0.00 ATOM 1419 CD1 ILE A 174 30.061 25.711 10.416 1.00 0.00 ATOM 1420 O ILE A 174 24.853 23.315 11.888 1.00 0.00 ATOM 1421 C ILE A 174 26.015 23.042 12.185 1.00 0.00 ATOM 1422 N GLY A 175 26.416 21.785 12.392 1.00 0.00 ATOM 1423 CA GLY A 175 25.459 20.690 12.361 1.00 0.00 ATOM 1424 O GLY A 175 23.181 20.574 13.065 1.00 0.00 ATOM 1425 C GLY A 175 24.347 20.817 13.393 1.00 0.00 ATOM 1426 N GLN A 176 24.713 21.192 14.619 1.00 0.00 ATOM 1427 CA GLN A 176 23.722 21.404 15.690 1.00 0.00 ATOM 1428 CB GLN A 176 24.414 21.758 16.993 1.00 0.00 ATOM 1429 CG GLN A 176 25.181 20.623 17.648 1.00 0.00 ATOM 1430 CD GLN A 176 26.143 21.142 18.696 1.00 0.00 ATOM 1431 OE1 GLN A 176 25.838 22.102 19.410 1.00 0.00 ATOM 1432 NE2 GLN A 176 27.313 20.514 18.794 1.00 0.00 ATOM 1433 O GLN A 176 21.541 22.407 15.576 1.00 0.00 ATOM 1434 C GLN A 176 22.752 22.531 15.328 1.00 0.00 ATOM 1435 N MET A 177 23.261 23.634 14.774 1.00 0.00 ATOM 1436 CA MET A 177 22.376 24.747 14.377 1.00 0.00 ATOM 1437 CB MET A 177 23.177 25.994 14.006 1.00 0.00 ATOM 1438 CG MET A 177 23.942 26.626 15.168 1.00 0.00 ATOM 1439 SD MET A 177 22.763 27.573 16.372 1.00 0.00 ATOM 1440 CE MET A 177 22.368 29.148 15.259 1.00 0.00 ATOM 1441 O MET A 177 20.317 24.878 13.170 1.00 0.00 ATOM 1442 C MET A 177 21.448 24.365 13.239 1.00 0.00 ATOM 1443 N LEU A 178 21.906 23.507 12.330 1.00 0.00 ATOM 1444 CA LEU A 178 21.086 23.014 11.235 1.00 0.00 ATOM 1445 CB LEU A 178 21.968 22.251 10.237 1.00 0.00 ATOM 1446 CG LEU A 178 22.729 23.127 9.243 1.00 0.00 ATOM 1447 CD1 LEU A 178 23.756 22.280 8.526 1.00 0.00 ATOM 1448 CD2 LEU A 178 21.769 23.739 8.251 1.00 0.00 ATOM 1449 O LEU A 178 18.915 22.041 11.046 1.00 0.00 ATOM 1450 C LEU A 178 19.956 22.101 11.695 1.00 0.00 ATOM 1451 N LYS A 179 20.205 21.381 12.794 1.00 0.00 ATOM 1452 CA LYS A 179 19.268 20.388 13.352 1.00 0.00 ATOM 1453 CB LYS A 179 20.030 19.306 14.114 1.00 0.00 ATOM 1454 CG LYS A 179 20.538 18.186 13.253 1.00 0.00 ATOM 1455 CD LYS A 179 21.054 17.033 14.112 1.00 0.00 ATOM 1456 CE LYS A 179 22.082 16.176 13.374 1.00 0.00 ATOM 1457 NZ LYS A 179 21.557 15.475 12.171 1.00 0.00 ATOM 1458 O LYS A 179 17.205 20.367 14.557 1.00 0.00 ATOM 1459 C LYS A 179 18.239 20.995 14.283 1.00 0.00 ATOM 1460 N LYS A 180 18.519 22.194 14.794 1.00 0.00 ATOM 1461 CA LYS A 180 17.595 22.891 15.697 1.00 0.00 ATOM 1462 CB LYS A 180 18.112 24.292 16.013 1.00 0.00 ATOM 1463 CG LYS A 180 19.068 24.365 17.190 1.00 0.00 ATOM 1464 CD LYS A 180 19.530 25.794 17.428 1.00 0.00 ATOM 1465 CE LYS A 180 18.361 26.727 17.749 1.00 0.00 ATOM 1466 NZ LYS A 180 18.780 28.157 17.753 1.00 0.00 ATOM 1467 O LYS A 180 16.026 23.278 13.909 1.00 0.00 ATOM 1468 C LYS A 180 16.191 22.991 15.099 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 T0299.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0299)N88.C and (T0299)L97.C only 0.000 apart, marking (T0299)L97.C as missing WARNING: atoms too close: (T0299)L89.N and (T0299)A98.N only 0.000 apart, marking (T0299)L89.N as missing WARNING: atoms too close: (T0299)L89.CA and (T0299)A98.CA only 0.000 apart, marking (T0299)L89.CA as missing WARNING: atoms too close: (T0299)A149.C and (T0299)Y153.C only 0.000 apart, marking (T0299)Y153.C as missing WARNING: atoms too close: (T0299)Y150.N and (T0299)L154.N only 0.000 apart, marking (T0299)Y150.N as missing WARNING: atoms too close: (T0299)Y150.CA and (T0299)L154.CA only 0.000 apart, marking (T0299)Y150.CA as missing # WARNING: incomplete conformation T0299 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 = 0.633 # GDT_score = -12.288 # GDT_score(maxd=8.000,maxw=2.900)= -12.450 # GDT_score(maxd=8.000,maxw=3.200)= -11.919 # GDT_score(maxd=8.000,maxw=3.500)= -11.478 # GDT_score(maxd=10.000,maxw=3.800)= -12.336 # GDT_score(maxd=10.000,maxw=4.000)= -12.058 # GDT_score(maxd=10.000,maxw=4.200)= -11.807 # GDT_score(maxd=12.000,maxw=4.300)= -12.945 # GDT_score(maxd=12.000,maxw=4.500)= -12.671 # GDT_score(maxd=12.000,maxw=4.700)= -12.421 # GDT_score(maxd=14.000,maxw=5.200)= -13.009 # GDT_score(maxd=14.000,maxw=5.500)= -12.617 # command:# ReadConformPDB reading from PDB file T0299.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0299)E61.C and (T0299)T62.C only 0.000 apart, marking (T0299)T62.C as missing WARNING: atoms too close: (T0299)T62.N and (T0299)F63.N only 0.000 apart, marking (T0299)T62.N as missing WARNING: atoms too close: (T0299)T62.CA and (T0299)F63.CA only 0.000 apart, marking (T0299)T62.CA as missing WARNING: atoms too close: (T0299)E80.C and (T0299)A84.C only 0.000 apart, marking (T0299)A84.C as missing WARNING: atoms too close: (T0299)D81.N and (T0299)E85.N only 0.000 apart, marking (T0299)D81.N as missing WARNING: atoms too close: (T0299)D81.CA and (T0299)E85.CA only 0.000 apart, marking (T0299)D81.CA as missing WARNING: atoms too close: (T0299)F159.C and (T0299)H162.C only 0.000 apart, marking (T0299)H162.C as missing WARNING: atoms too close: (T0299)Y160.N and (T0299)I163.N only 0.000 apart, marking (T0299)Y160.N as missing WARNING: atoms too close: (T0299)Y160.CA and (T0299)I163.CA only 0.000 apart, marking (T0299)Y160.CA as missing # WARNING: incomplete conformation T0299 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 = 0.734 # GDT_score = -14.124 # GDT_score(maxd=8.000,maxw=2.900)= -13.371 # GDT_score(maxd=8.000,maxw=3.200)= -12.912 # GDT_score(maxd=8.000,maxw=3.500)= -12.532 # GDT_score(maxd=10.000,maxw=3.800)= -13.703 # GDT_score(maxd=10.000,maxw=4.000)= -13.441 # GDT_score(maxd=10.000,maxw=4.200)= -13.205 # GDT_score(maxd=12.000,maxw=4.300)= -14.383 # GDT_score(maxd=12.000,maxw=4.500)= -14.120 # GDT_score(maxd=12.000,maxw=4.700)= -13.842 # GDT_score(maxd=14.000,maxw=5.200)= -14.235 # GDT_score(maxd=14.000,maxw=5.500)= -13.778 # command:# ReadConformPDB reading from PDB file T0299.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0299)L33.C and (T0299)V36.C only 0.000 apart, marking (T0299)V36.C as missing WARNING: atoms too close: (T0299)E34.N and (T0299)E37.N only 0.000 apart, marking (T0299)E34.N as missing WARNING: atoms too close: (T0299)E34.CA and (T0299)E37.CA only 0.000 apart, marking (T0299)E34.CA as missing WARNING: atoms too close: (T0299)N44.C and (T0299)T48.C only 0.000 apart, marking (T0299)T48.C as missing WARNING: atoms too close: (T0299)I45.N and (T0299)S49.N only 0.000 apart, marking (T0299)I45.N as missing WARNING: atoms too close: (T0299)I45.CA and (T0299)S49.CA only 0.000 apart, marking (T0299)I45.CA as missing WARNING: atoms too close: (T0299)P69.C and (T0299)F70.C only 0.000 apart, marking (T0299)F70.C as missing WARNING: atoms too close: (T0299)F70.N and (T0299)I71.N only 0.000 apart, marking (T0299)F70.N as missing WARNING: atoms too close: (T0299)F70.CA and (T0299)I71.CA only 0.000 apart, marking (T0299)F70.CA as missing WARNING: atoms too close: (T0299)Q113.C and (T0299)V114.C only 0.000 apart, marking (T0299)V114.C as missing WARNING: atoms too close: (T0299)V114.N and (T0299)I115.N only 0.000 apart, marking (T0299)V114.N as missing WARNING: atoms too close: (T0299)V114.CA and (T0299)I115.CA only 0.000 apart, marking (T0299)V114.CA as missing # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0299.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0299)R95.C and (T0299)F102.C only 0.000 apart, marking (T0299)F102.C as missing WARNING: atoms too close: (T0299)D96.N and (T0299)L103.N only 0.000 apart, marking (T0299)D96.N as missing WARNING: atoms too close: (T0299)D96.CA and (T0299)L103.CA only 0.000 apart, marking (T0299)D96.CA as missing # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0299.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0299)N17.C and (T0299)I40.C only 0.000 apart, marking (T0299)I40.C as missing WARNING: atoms too close: (T0299)K18.N and (T0299)N41.N only 0.000 apart, marking (T0299)K18.N as missing WARNING: atoms too close: (T0299)K18.CA and (T0299)N41.CA only 0.000 apart, marking (T0299)K18.CA as missing WARNING: atoms too close: (T0299)Y68.C and (T0299)D81.C only 0.000 apart, marking (T0299)D81.C as missing WARNING: atoms too close: (T0299)P69.N and (T0299)F82.N only 0.000 apart, marking (T0299)P69.N as missing WARNING: atoms too close: (T0299)P69.CA and (T0299)F82.CA only 0.000 apart, marking (T0299)P69.CA as missing # WARNING: incomplete conformation T0299 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 171 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 174 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 174 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try11-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 174 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try11-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 174 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try12-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 174 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 174 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try13-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 174 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try13-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 174 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try14-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try14-opt1.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try14-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 51 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try14-opt2.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try14-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try15-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try15-opt1.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try15-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try15-opt2.pdb.gz looking for model 1 # Found a chain break before 161 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try15-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 161 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try16-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try16-opt1.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try16-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 149 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try16-opt2.pdb.gz looking for model 1 # Found a chain break before 178 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try16-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 178 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try17-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 167 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try17-opt1.pdb.gz looking for model 1 # Found a chain break before 167 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try17-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try17-opt2.pdb.gz looking for model 1 # Found a chain break before 167 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try17-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 167 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try18-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try18-opt1.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try18-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try18-opt2.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try18-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try19-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try19-opt1.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try19-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try19-opt2.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try19-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try20-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try20-opt1.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try20-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try20-opt2.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try20-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try21-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try21-opt1.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try21-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try21-opt2.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try21-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try22-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try22-opt1.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try22-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 124 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try22-opt2.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try22-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try23-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try23-opt1.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try23-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 51 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try23-opt2.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try23-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try24-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try24-opt1.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try24-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try24-opt2.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try24-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 86 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 86 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 172 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 172 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0299.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_982864490.pdb -s /var/tmp/to_scwrl_982864490.seq -o /var/tmp/from_scwrl_982864490.pdb > /var/tmp/scwrl_982864490.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_982864490.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1709188332.pdb -s /var/tmp/to_scwrl_1709188332.seq -o /var/tmp/from_scwrl_1709188332.pdb > /var/tmp/scwrl_1709188332.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1709188332.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 170 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_321589010.pdb -s /var/tmp/to_scwrl_321589010.seq -o /var/tmp/from_scwrl_321589010.pdb > /var/tmp/scwrl_321589010.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_321589010.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1808470025.pdb -s /var/tmp/to_scwrl_1808470025.seq -o /var/tmp/from_scwrl_1808470025.pdb > /var/tmp/scwrl_1808470025.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1808470025.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2334957.pdb -s /var/tmp/to_scwrl_2334957.seq -o /var/tmp/from_scwrl_2334957.pdb > /var/tmp/scwrl_2334957.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2334957.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS5-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS1.pdb.gz looking for model 1 # Found a chain break before 168 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_978747906.pdb -s /var/tmp/to_scwrl_978747906.seq -o /var/tmp/from_scwrl_978747906.pdb > /var/tmp/scwrl_978747906.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_978747906.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 T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_266857525.pdb -s /var/tmp/to_scwrl_266857525.seq -o /var/tmp/from_scwrl_266857525.pdb > /var/tmp/scwrl_266857525.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_266857525.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 T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1191828241.pdb -s /var/tmp/to_scwrl_1191828241.seq -o /var/tmp/from_scwrl_1191828241.pdb > /var/tmp/scwrl_1191828241.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1191828241.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 T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1993070685.pdb -s /var/tmp/to_scwrl_1993070685.seq -o /var/tmp/from_scwrl_1993070685.pdb > /var/tmp/scwrl_1993070685.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1993070685.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 T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_227939646.pdb -s /var/tmp/to_scwrl_227939646.seq -o /var/tmp/from_scwrl_227939646.pdb > /var/tmp/scwrl_227939646.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_227939646.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 T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1430153484.pdb -s /var/tmp/to_scwrl_1430153484.seq -o /var/tmp/from_scwrl_1430153484.pdb > /var/tmp/scwrl_1430153484.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1430153484.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1934672764.pdb -s /var/tmp/to_scwrl_1934672764.seq -o /var/tmp/from_scwrl_1934672764.pdb > /var/tmp/scwrl_1934672764.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1934672764.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 T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1795704676.pdb -s /var/tmp/to_scwrl_1795704676.seq -o /var/tmp/from_scwrl_1795704676.pdb > /var/tmp/scwrl_1795704676.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1795704676.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 T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_279922263.pdb -s /var/tmp/to_scwrl_279922263.seq -o /var/tmp/from_scwrl_279922263.pdb > /var/tmp/scwrl_279922263.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_279922263.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 T0299 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_892637178.pdb -s /var/tmp/to_scwrl_892637178.seq -o /var/tmp/from_scwrl_892637178.pdb > /var/tmp/scwrl_892637178.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_892637178.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 75 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_947247880.pdb -s /var/tmp/to_scwrl_947247880.seq -o /var/tmp/from_scwrl_947247880.pdb > /var/tmp/scwrl_947247880.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_947247880.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 169 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1086736858.pdb -s /var/tmp/to_scwrl_1086736858.seq -o /var/tmp/from_scwrl_1086736858.pdb > /var/tmp/scwrl_1086736858.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1086736858.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 87 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_159278189.pdb -s /var/tmp/to_scwrl_159278189.seq -o /var/tmp/from_scwrl_159278189.pdb > /var/tmp/scwrl_159278189.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_159278189.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 135 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1304471994.pdb -s /var/tmp/to_scwrl_1304471994.seq -o /var/tmp/from_scwrl_1304471994.pdb > /var/tmp/scwrl_1304471994.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1304471994.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 128 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1429363635.pdb -s /var/tmp/to_scwrl_1429363635.seq -o /var/tmp/from_scwrl_1429363635.pdb > /var/tmp/scwrl_1429363635.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1429363635.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 128 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1970712416.pdb -s /var/tmp/to_scwrl_1970712416.seq -o /var/tmp/from_scwrl_1970712416.pdb > /var/tmp/scwrl_1970712416.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1970712416.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 116 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2023235489.pdb -s /var/tmp/to_scwrl_2023235489.seq -o /var/tmp/from_scwrl_2023235489.pdb > /var/tmp/scwrl_2023235489.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2023235489.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 125 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_324279357.pdb -s /var/tmp/to_scwrl_324279357.seq -o /var/tmp/from_scwrl_324279357.pdb > /var/tmp/scwrl_324279357.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_324279357.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 102 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1370439917.pdb -s /var/tmp/to_scwrl_1370439917.seq -o /var/tmp/from_scwrl_1370439917.pdb > /var/tmp/scwrl_1370439917.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1370439917.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 165 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1527417417.pdb -s /var/tmp/to_scwrl_1527417417.seq -o /var/tmp/from_scwrl_1527417417.pdb > /var/tmp/scwrl_1527417417.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1527417417.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 117 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1173365835.pdb -s /var/tmp/to_scwrl_1173365835.seq -o /var/tmp/from_scwrl_1173365835.pdb > /var/tmp/scwrl_1173365835.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1173365835.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 176 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1645686241.pdb -s /var/tmp/to_scwrl_1645686241.seq -o /var/tmp/from_scwrl_1645686241.pdb > /var/tmp/scwrl_1645686241.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1645686241.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 176 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_356677911.pdb -s /var/tmp/to_scwrl_356677911.seq -o /var/tmp/from_scwrl_356677911.pdb > /var/tmp/scwrl_356677911.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_356677911.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 176 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1417480292.pdb -s /var/tmp/to_scwrl_1417480292.seq -o /var/tmp/from_scwrl_1417480292.pdb > /var/tmp/scwrl_1417480292.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1417480292.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 176 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_540741202.pdb -s /var/tmp/to_scwrl_540741202.seq -o /var/tmp/from_scwrl_540741202.pdb > /var/tmp/scwrl_540741202.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_540741202.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 176 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_368678756.pdb -s /var/tmp/to_scwrl_368678756.seq -o /var/tmp/from_scwrl_368678756.pdb > /var/tmp/scwrl_368678756.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_368678756.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 175 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_252861135.pdb -s /var/tmp/to_scwrl_252861135.seq -o /var/tmp/from_scwrl_252861135.pdb > /var/tmp/scwrl_252861135.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_252861135.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS1-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_102445887.pdb -s /var/tmp/to_scwrl_102445887.seq -o /var/tmp/from_scwrl_102445887.pdb > /var/tmp/scwrl_102445887.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_102445887.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # Found a chain break before 179 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_690267766.pdb -s /var/tmp/to_scwrl_690267766.seq -o /var/tmp/from_scwrl_690267766.pdb > /var/tmp/scwrl_690267766.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_690267766.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2061331160.pdb -s /var/tmp/to_scwrl_2061331160.seq -o /var/tmp/from_scwrl_2061331160.pdb > /var/tmp/scwrl_2061331160.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2061331160.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_104780845.pdb -s /var/tmp/to_scwrl_104780845.seq -o /var/tmp/from_scwrl_104780845.pdb > /var/tmp/scwrl_104780845.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_104780845.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1669015671.pdb -s /var/tmp/to_scwrl_1669015671.seq -o /var/tmp/from_scwrl_1669015671.pdb > /var/tmp/scwrl_1669015671.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1669015671.pdb # conformation set from SCWRL output # naming current conformation CaspIta-FOX_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_180705038.pdb -s /var/tmp/to_scwrl_180705038.seq -o /var/tmp/from_scwrl_180705038.pdb > /var/tmp/scwrl_180705038.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_180705038.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 T0299 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1296609086.pdb -s /var/tmp/to_scwrl_1296609086.seq -o /var/tmp/from_scwrl_1296609086.pdb > /var/tmp/scwrl_1296609086.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1296609086.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 T0299 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1514602709.pdb -s /var/tmp/to_scwrl_1514602709.seq -o /var/tmp/from_scwrl_1514602709.pdb > /var/tmp/scwrl_1514602709.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1514602709.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 T0299 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_408644684.pdb -s /var/tmp/to_scwrl_408644684.seq -o /var/tmp/from_scwrl_408644684.pdb > /var/tmp/scwrl_408644684.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_408644684.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 T0299 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_579278924.pdb -s /var/tmp/to_scwrl_579278924.seq -o /var/tmp/from_scwrl_579278924.pdb > /var/tmp/scwrl_579278924.log Error: Couldn't open file /var/tmp/from_scwrl_579278924.pdb or /var/tmp/from_scwrl_579278924.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_579278924_b.pdb or decoys//var/tmp/from_scwrl_579278924_b.pdb.gz for input Trying /var/tmp/from_scwrl_579278924_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_579278924_b.pdb or /var/tmp/from_scwrl_579278924_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_579278924_a.pdb or decoys//var/tmp/from_scwrl_579278924_a.pdb.gz for input Trying /var/tmp/from_scwrl_579278924_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_579278924_a.pdb or /var/tmp/from_scwrl_579278924_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_579278924.pdb or /var/tmp/from_scwrl_579278924_b.pdb or /var/tmp/from_scwrl_579278924_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 T0299 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1301791826.pdb -s /var/tmp/to_scwrl_1301791826.seq -o /var/tmp/from_scwrl_1301791826.pdb > /var/tmp/scwrl_1301791826.log Error: Couldn't open file /var/tmp/from_scwrl_1301791826.pdb or /var/tmp/from_scwrl_1301791826.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1301791826_b.pdb or decoys//var/tmp/from_scwrl_1301791826_b.pdb.gz for input Trying /var/tmp/from_scwrl_1301791826_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1301791826_b.pdb or /var/tmp/from_scwrl_1301791826_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1301791826_a.pdb or decoys//var/tmp/from_scwrl_1301791826_a.pdb.gz for input Trying /var/tmp/from_scwrl_1301791826_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1301791826_a.pdb or /var/tmp/from_scwrl_1301791826_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1301791826.pdb or /var/tmp/from_scwrl_1301791826_b.pdb or /var/tmp/from_scwrl_1301791826_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 T0299 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_56865713.pdb -s /var/tmp/to_scwrl_56865713.seq -o /var/tmp/from_scwrl_56865713.pdb > /var/tmp/scwrl_56865713.log Error: Couldn't open file /var/tmp/from_scwrl_56865713.pdb or /var/tmp/from_scwrl_56865713.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_56865713_b.pdb or decoys//var/tmp/from_scwrl_56865713_b.pdb.gz for input Trying /var/tmp/from_scwrl_56865713_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_56865713_b.pdb or /var/tmp/from_scwrl_56865713_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_56865713_a.pdb or decoys//var/tmp/from_scwrl_56865713_a.pdb.gz for input Trying /var/tmp/from_scwrl_56865713_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_56865713_a.pdb or /var/tmp/from_scwrl_56865713_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_56865713.pdb or /var/tmp/from_scwrl_56865713_b.pdb or /var/tmp/from_scwrl_56865713_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 T0299 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_859201187.pdb -s /var/tmp/to_scwrl_859201187.seq -o /var/tmp/from_scwrl_859201187.pdb > /var/tmp/scwrl_859201187.log Error: Couldn't open file /var/tmp/from_scwrl_859201187.pdb or /var/tmp/from_scwrl_859201187.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_859201187_b.pdb or decoys//var/tmp/from_scwrl_859201187_b.pdb.gz for input Trying /var/tmp/from_scwrl_859201187_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_859201187_b.pdb or /var/tmp/from_scwrl_859201187_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_859201187_a.pdb or decoys//var/tmp/from_scwrl_859201187_a.pdb.gz for input Trying /var/tmp/from_scwrl_859201187_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_859201187_a.pdb or /var/tmp/from_scwrl_859201187_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_859201187.pdb or /var/tmp/from_scwrl_859201187_b.pdb or /var/tmp/from_scwrl_859201187_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 T0299 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_46945357.pdb -s /var/tmp/to_scwrl_46945357.seq -o /var/tmp/from_scwrl_46945357.pdb > /var/tmp/scwrl_46945357.log Error: Couldn't open file /var/tmp/from_scwrl_46945357.pdb or /var/tmp/from_scwrl_46945357.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_46945357_b.pdb or decoys//var/tmp/from_scwrl_46945357_b.pdb.gz for input Trying /var/tmp/from_scwrl_46945357_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_46945357_b.pdb or /var/tmp/from_scwrl_46945357_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_46945357_a.pdb or decoys//var/tmp/from_scwrl_46945357_a.pdb.gz for input Trying /var/tmp/from_scwrl_46945357_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_46945357_a.pdb or /var/tmp/from_scwrl_46945357_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_46945357.pdb or /var/tmp/from_scwrl_46945357_b.pdb or /var/tmp/from_scwrl_46945357_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 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1004113593.pdb -s /var/tmp/to_scwrl_1004113593.seq -o /var/tmp/from_scwrl_1004113593.pdb > /var/tmp/scwrl_1004113593.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1004113593.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 T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1945938045.pdb -s /var/tmp/to_scwrl_1945938045.seq -o /var/tmp/from_scwrl_1945938045.pdb > /var/tmp/scwrl_1945938045.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1945938045.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # Found a chain break before 176 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_206223547.pdb -s /var/tmp/to_scwrl_206223547.seq -o /var/tmp/from_scwrl_206223547.pdb > /var/tmp/scwrl_206223547.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_206223547.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_161101941.pdb -s /var/tmp/to_scwrl_161101941.seq -o /var/tmp/from_scwrl_161101941.pdb > /var/tmp/scwrl_161101941.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_161101941.pdb # conformation set from SCWRL output # naming current conformation FAMSD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1227818034.pdb -s /var/tmp/to_scwrl_1227818034.seq -o /var/tmp/from_scwrl_1227818034.pdb > /var/tmp/scwrl_1227818034.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1227818034.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 170 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_29452316.pdb -s /var/tmp/to_scwrl_29452316.seq -o /var/tmp/from_scwrl_29452316.pdb > /var/tmp/scwrl_29452316.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_29452316.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # Found a chain break before 176 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_36853783.pdb -s /var/tmp/to_scwrl_36853783.seq -o /var/tmp/from_scwrl_36853783.pdb > /var/tmp/scwrl_36853783.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_36853783.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 T0299 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1552097391.pdb -s /var/tmp/to_scwrl_1552097391.seq -o /var/tmp/from_scwrl_1552097391.pdb > /var/tmp/scwrl_1552097391.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1552097391.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 175 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1399892233.pdb -s /var/tmp/to_scwrl_1399892233.seq -o /var/tmp/from_scwrl_1399892233.pdb > /var/tmp/scwrl_1399892233.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1399892233.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # Found a chain break before 179 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1564271201.pdb -s /var/tmp/to_scwrl_1564271201.seq -o /var/tmp/from_scwrl_1564271201.pdb > /var/tmp/scwrl_1564271201.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1564271201.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 161 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_577979580.pdb -s /var/tmp/to_scwrl_577979580.seq -o /var/tmp/from_scwrl_577979580.pdb > /var/tmp/scwrl_577979580.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_577979580.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 # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_898094829.pdb -s /var/tmp/to_scwrl_898094829.seq -o /var/tmp/from_scwrl_898094829.pdb > /var/tmp/scwrl_898094829.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_898094829.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 # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1920949112.pdb -s /var/tmp/to_scwrl_1920949112.seq -o /var/tmp/from_scwrl_1920949112.pdb > /var/tmp/scwrl_1920949112.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1920949112.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 137 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1995459872.pdb -s /var/tmp/to_scwrl_1995459872.seq -o /var/tmp/from_scwrl_1995459872.pdb > /var/tmp/scwrl_1995459872.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1995459872.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 168 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1438836030.pdb -s /var/tmp/to_scwrl_1438836030.seq -o /var/tmp/from_scwrl_1438836030.pdb > /var/tmp/scwrl_1438836030.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1438836030.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 T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_142144221.pdb -s /var/tmp/to_scwrl_142144221.seq -o /var/tmp/from_scwrl_142144221.pdb > /var/tmp/scwrl_142144221.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_142144221.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 T0299 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_100837360.pdb -s /var/tmp/to_scwrl_100837360.seq -o /var/tmp/from_scwrl_100837360.pdb > /var/tmp/scwrl_100837360.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_100837360.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1541281918.pdb -s /var/tmp/to_scwrl_1541281918.seq -o /var/tmp/from_scwrl_1541281918.pdb > /var/tmp/scwrl_1541281918.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1541281918.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 T0299 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_832411987.pdb -s /var/tmp/to_scwrl_832411987.seq -o /var/tmp/from_scwrl_832411987.pdb > /var/tmp/scwrl_832411987.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_832411987.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL4-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL5.pdb.gz looking for model 1 Skipped atom 55, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 60, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_14684873.pdb -s /var/tmp/to_scwrl_14684873.seq -o /var/tmp/from_scwrl_14684873.pdb > /var/tmp/scwrl_14684873.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_14684873.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL5-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1646062763.pdb -s /var/tmp/to_scwrl_1646062763.seq -o /var/tmp/from_scwrl_1646062763.pdb > /var/tmp/scwrl_1646062763.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1646062763.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 T0299 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_353944011.pdb -s /var/tmp/to_scwrl_353944011.seq -o /var/tmp/from_scwrl_353944011.pdb > /var/tmp/scwrl_353944011.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_353944011.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL3.pdb.gz looking for model 1 Skipped atom 55, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz Skipped atom 60, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL3.pdb.gz # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_195389911.pdb -s /var/tmp/to_scwrl_195389911.seq -o /var/tmp/from_scwrl_195389911.pdb > /var/tmp/scwrl_195389911.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_195389911.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 T0299 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_795188203.pdb -s /var/tmp/to_scwrl_795188203.seq -o /var/tmp/from_scwrl_795188203.pdb > /var/tmp/scwrl_795188203.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_795188203.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL4-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1868546720.pdb -s /var/tmp/to_scwrl_1868546720.seq -o /var/tmp/from_scwrl_1868546720.pdb > /var/tmp/scwrl_1868546720.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1868546720.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 174 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_604034596.pdb -s /var/tmp/to_scwrl_604034596.seq -o /var/tmp/from_scwrl_604034596.pdb > /var/tmp/scwrl_604034596.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_604034596.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 # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1374467126.pdb -s /var/tmp/to_scwrl_1374467126.seq -o /var/tmp/from_scwrl_1374467126.pdb > /var/tmp/scwrl_1374467126.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1374467126.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 127 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1022854900.pdb -s /var/tmp/to_scwrl_1022854900.seq -o /var/tmp/from_scwrl_1022854900.pdb > /var/tmp/scwrl_1022854900.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1022854900.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 163 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_660900309.pdb -s /var/tmp/to_scwrl_660900309.seq -o /var/tmp/from_scwrl_660900309.pdb > /var/tmp/scwrl_660900309.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_660900309.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 20 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_86184667.pdb -s /var/tmp/to_scwrl_86184667.seq -o /var/tmp/from_scwrl_86184667.pdb > /var/tmp/scwrl_86184667.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_86184667.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1069800258.pdb -s /var/tmp/to_scwrl_1069800258.seq -o /var/tmp/from_scwrl_1069800258.pdb > /var/tmp/scwrl_1069800258.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1069800258.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 176 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1665013902.pdb -s /var/tmp/to_scwrl_1665013902.seq -o /var/tmp/from_scwrl_1665013902.pdb > /var/tmp/scwrl_1665013902.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1665013902.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 164 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2032122712.pdb -s /var/tmp/to_scwrl_2032122712.seq -o /var/tmp/from_scwrl_2032122712.pdb > /var/tmp/scwrl_2032122712.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2032122712.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 T0299 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1276023804.pdb -s /var/tmp/to_scwrl_1276023804.seq -o /var/tmp/from_scwrl_1276023804.pdb > /var/tmp/scwrl_1276023804.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1276023804.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # Found a chain break before 42 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1826115843.pdb -s /var/tmp/to_scwrl_1826115843.seq -o /var/tmp/from_scwrl_1826115843.pdb > /var/tmp/scwrl_1826115843.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1826115843.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 T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1112457099.pdb -s /var/tmp/to_scwrl_1112457099.seq -o /var/tmp/from_scwrl_1112457099.pdb > /var/tmp/scwrl_1112457099.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1112457099.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 T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1305476120.pdb -s /var/tmp/to_scwrl_1305476120.seq -o /var/tmp/from_scwrl_1305476120.pdb > /var/tmp/scwrl_1305476120.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1305476120.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 T0299 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1862969626.pdb -s /var/tmp/to_scwrl_1862969626.seq -o /var/tmp/from_scwrl_1862969626.pdb > /var/tmp/scwrl_1862969626.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1862969626.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 T0299 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_517070844.pdb -s /var/tmp/to_scwrl_517070844.seq -o /var/tmp/from_scwrl_517070844.pdb > /var/tmp/scwrl_517070844.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_517070844.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL4-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_557884707.pdb -s /var/tmp/to_scwrl_557884707.seq -o /var/tmp/from_scwrl_557884707.pdb > /var/tmp/scwrl_557884707.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_557884707.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 174 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1279757180.pdb -s /var/tmp/to_scwrl_1279757180.seq -o /var/tmp/from_scwrl_1279757180.pdb > /var/tmp/scwrl_1279757180.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1279757180.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 176 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1095050424.pdb -s /var/tmp/to_scwrl_1095050424.seq -o /var/tmp/from_scwrl_1095050424.pdb > /var/tmp/scwrl_1095050424.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1095050424.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 174 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1455979535.pdb -s /var/tmp/to_scwrl_1455979535.seq -o /var/tmp/from_scwrl_1455979535.pdb > /var/tmp/scwrl_1455979535.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1455979535.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 177 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1053222646.pdb -s /var/tmp/to_scwrl_1053222646.seq -o /var/tmp/from_scwrl_1053222646.pdb > /var/tmp/scwrl_1053222646.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1053222646.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 167 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_943026650.pdb -s /var/tmp/to_scwrl_943026650.seq -o /var/tmp/from_scwrl_943026650.pdb > /var/tmp/scwrl_943026650.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_943026650.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_747331920.pdb -s /var/tmp/to_scwrl_747331920.seq -o /var/tmp/from_scwrl_747331920.pdb > /var/tmp/scwrl_747331920.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_747331920.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS3-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1195366866.pdb -s /var/tmp/to_scwrl_1195366866.seq -o /var/tmp/from_scwrl_1195366866.pdb > /var/tmp/scwrl_1195366866.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1195366866.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 81 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1043864011.pdb -s /var/tmp/to_scwrl_1043864011.seq -o /var/tmp/from_scwrl_1043864011.pdb > /var/tmp/scwrl_1043864011.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1043864011.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 165 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_141130191.pdb -s /var/tmp/to_scwrl_141130191.seq -o /var/tmp/from_scwrl_141130191.pdb > /var/tmp/scwrl_141130191.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_141130191.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS3-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2027778853.pdb -s /var/tmp/to_scwrl_2027778853.seq -o /var/tmp/from_scwrl_2027778853.pdb > /var/tmp/scwrl_2027778853.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2027778853.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # Found a chain break before 86 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1058548884.pdb -s /var/tmp/to_scwrl_1058548884.seq -o /var/tmp/from_scwrl_1058548884.pdb > /var/tmp/scwrl_1058548884.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1058548884.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS5-scwrl # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1787192954.pdb -s /var/tmp/to_scwrl_1787192954.seq -o /var/tmp/from_scwrl_1787192954.pdb > /var/tmp/scwrl_1787192954.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1787192954.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 68 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_234239217.pdb -s /var/tmp/to_scwrl_234239217.seq -o /var/tmp/from_scwrl_234239217.pdb > /var/tmp/scwrl_234239217.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_234239217.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 89 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1253938795.pdb -s /var/tmp/to_scwrl_1253938795.seq -o /var/tmp/from_scwrl_1253938795.pdb > /var/tmp/scwrl_1253938795.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1253938795.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 T0299 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_434897510.pdb -s /var/tmp/to_scwrl_434897510.seq -o /var/tmp/from_scwrl_434897510.pdb > /var/tmp/scwrl_434897510.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_434897510.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 T0299 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2102785937.pdb -s /var/tmp/to_scwrl_2102785937.seq -o /var/tmp/from_scwrl_2102785937.pdb > /var/tmp/scwrl_2102785937.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2102785937.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 T0299 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1857973391.pdb -s /var/tmp/to_scwrl_1857973391.seq -o /var/tmp/from_scwrl_1857973391.pdb > /var/tmp/scwrl_1857973391.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1857973391.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 T0299 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1809364636.pdb -s /var/tmp/to_scwrl_1809364636.seq -o /var/tmp/from_scwrl_1809364636.pdb > /var/tmp/scwrl_1809364636.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1809364636.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 T0299 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_978157191.pdb -s /var/tmp/to_scwrl_978157191.seq -o /var/tmp/from_scwrl_978157191.pdb > /var/tmp/scwrl_978157191.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_978157191.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 T0299 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_371390053.pdb -s /var/tmp/to_scwrl_371390053.seq -o /var/tmp/from_scwrl_371390053.pdb > /var/tmp/scwrl_371390053.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_371390053.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 T0299 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1895549303.pdb -s /var/tmp/to_scwrl_1895549303.seq -o /var/tmp/from_scwrl_1895549303.pdb > /var/tmp/scwrl_1895549303.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1895549303.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 T0299 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2047957448.pdb -s /var/tmp/to_scwrl_2047957448.seq -o /var/tmp/from_scwrl_2047957448.pdb > /var/tmp/scwrl_2047957448.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2047957448.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 T0299 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2036403955.pdb -s /var/tmp/to_scwrl_2036403955.seq -o /var/tmp/from_scwrl_2036403955.pdb > /var/tmp/scwrl_2036403955.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2036403955.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 T0299 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1780188369.pdb -s /var/tmp/to_scwrl_1780188369.seq -o /var/tmp/from_scwrl_1780188369.pdb > /var/tmp/scwrl_1780188369.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1780188369.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 T0299 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1176497605.pdb -s /var/tmp/to_scwrl_1176497605.seq -o /var/tmp/from_scwrl_1176497605.pdb > /var/tmp/scwrl_1176497605.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1176497605.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 137 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1715036151.pdb -s /var/tmp/to_scwrl_1715036151.seq -o /var/tmp/from_scwrl_1715036151.pdb > /var/tmp/scwrl_1715036151.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1715036151.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 141 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_745161822.pdb -s /var/tmp/to_scwrl_745161822.seq -o /var/tmp/from_scwrl_745161822.pdb > /var/tmp/scwrl_745161822.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_745161822.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS3.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_334490079.pdb -s /var/tmp/to_scwrl_334490079.seq -o /var/tmp/from_scwrl_334490079.pdb > /var/tmp/scwrl_334490079.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_334490079.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 178 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1430522131.pdb -s /var/tmp/to_scwrl_1430522131.seq -o /var/tmp/from_scwrl_1430522131.pdb > /var/tmp/scwrl_1430522131.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1430522131.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 134 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1262232666.pdb -s /var/tmp/to_scwrl_1262232666.seq -o /var/tmp/from_scwrl_1262232666.pdb > /var/tmp/scwrl_1262232666.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1262232666.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 167 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_892374786.pdb -s /var/tmp/to_scwrl_892374786.seq -o /var/tmp/from_scwrl_892374786.pdb > /var/tmp/scwrl_892374786.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_892374786.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 166 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_562795665.pdb -s /var/tmp/to_scwrl_562795665.seq -o /var/tmp/from_scwrl_562795665.pdb > /var/tmp/scwrl_562795665.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_562795665.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 167 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_209799444.pdb -s /var/tmp/to_scwrl_209799444.seq -o /var/tmp/from_scwrl_209799444.pdb > /var/tmp/scwrl_209799444.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_209799444.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 179 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_200870675.pdb -s /var/tmp/to_scwrl_200870675.seq -o /var/tmp/from_scwrl_200870675.pdb > /var/tmp/scwrl_200870675.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_200870675.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 166 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1616018311.pdb -s /var/tmp/to_scwrl_1616018311.seq -o /var/tmp/from_scwrl_1616018311.pdb > /var/tmp/scwrl_1616018311.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1616018311.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 T0299 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1152826093.pdb -s /var/tmp/to_scwrl_1152826093.seq -o /var/tmp/from_scwrl_1152826093.pdb > /var/tmp/scwrl_1152826093.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1152826093.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 162 ; scwrl3 -i /var/tmp/to_scwrl_948202595.pdb -s /var/tmp/to_scwrl_948202595.seq -o /var/tmp/from_scwrl_948202595.pdb > /var/tmp/scwrl_948202595.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_948202595.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 162 ; scwrl3 -i /var/tmp/to_scwrl_663901531.pdb -s /var/tmp/to_scwrl_663901531.seq -o /var/tmp/from_scwrl_663901531.pdb > /var/tmp/scwrl_663901531.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_663901531.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 162 ; scwrl3 -i /var/tmp/to_scwrl_49206457.pdb -s /var/tmp/to_scwrl_49206457.seq -o /var/tmp/from_scwrl_49206457.pdb > /var/tmp/scwrl_49206457.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_49206457.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 162 ; scwrl3 -i /var/tmp/to_scwrl_1089332785.pdb -s /var/tmp/to_scwrl_1089332785.seq -o /var/tmp/from_scwrl_1089332785.pdb > /var/tmp/scwrl_1089332785.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1089332785.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 162 ; scwrl3 -i /var/tmp/to_scwrl_544196738.pdb -s /var/tmp/to_scwrl_544196738.seq -o /var/tmp/from_scwrl_544196738.pdb > /var/tmp/scwrl_544196738.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_544196738.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 T0299 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1107755341.pdb -s /var/tmp/to_scwrl_1107755341.seq -o /var/tmp/from_scwrl_1107755341.pdb > /var/tmp/scwrl_1107755341.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1107755341.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_729042093.pdb -s /var/tmp/to_scwrl_729042093.seq -o /var/tmp/from_scwrl_729042093.pdb > /var/tmp/scwrl_729042093.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_729042093.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 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_778435955.pdb -s /var/tmp/to_scwrl_778435955.seq -o /var/tmp/from_scwrl_778435955.pdb > /var/tmp/scwrl_778435955.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_778435955.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 162 ; scwrl3 -i /var/tmp/to_scwrl_214210490.pdb -s /var/tmp/to_scwrl_214210490.seq -o /var/tmp/from_scwrl_214210490.pdb > /var/tmp/scwrl_214210490.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_214210490.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1163939602.pdb -s /var/tmp/to_scwrl_1163939602.seq -o /var/tmp/from_scwrl_1163939602.pdb > /var/tmp/scwrl_1163939602.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1163939602.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 T0299 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_733738246.pdb -s /var/tmp/to_scwrl_733738246.seq -o /var/tmp/from_scwrl_733738246.pdb > /var/tmp/scwrl_733738246.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_733738246.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 # Found a chain break before 179 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2072183881.pdb -s /var/tmp/to_scwrl_2072183881.seq -o /var/tmp/from_scwrl_2072183881.pdb > /var/tmp/scwrl_2072183881.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2072183881.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS3.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_825820592.pdb -s /var/tmp/to_scwrl_825820592.seq -o /var/tmp/from_scwrl_825820592.pdb > /var/tmp/scwrl_825820592.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_825820592.pdb # conformation set from SCWRL output # naming current conformation Pcons6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pcons6_TS4.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1711895436.pdb -s /var/tmp/to_scwrl_1711895436.seq -o /var/tmp/from_scwrl_1711895436.pdb > /var/tmp/scwrl_1711895436.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1711895436.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 109 # copying to AlignedFragments data structure # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_296090287.pdb -s /var/tmp/to_scwrl_296090287.seq -o /var/tmp/from_scwrl_296090287.pdb > /var/tmp/scwrl_296090287.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_296090287.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 T0299 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_573886249.pdb -s /var/tmp/to_scwrl_573886249.seq -o /var/tmp/from_scwrl_573886249.pdb > /var/tmp/scwrl_573886249.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_573886249.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 T0299 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 162 ; scwrl3 -i /var/tmp/to_scwrl_1612369237.pdb -s /var/tmp/to_scwrl_1612369237.seq -o /var/tmp/from_scwrl_1612369237.pdb > /var/tmp/scwrl_1612369237.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1612369237.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 T0299 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 162 ; scwrl3 -i /var/tmp/to_scwrl_185010596.pdb -s /var/tmp/to_scwrl_185010596.seq -o /var/tmp/from_scwrl_185010596.pdb > /var/tmp/scwrl_185010596.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_185010596.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_206590971.pdb -s /var/tmp/to_scwrl_206590971.seq -o /var/tmp/from_scwrl_206590971.pdb > /var/tmp/scwrl_206590971.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_206590971.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 T0299 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 162 ; scwrl3 -i /var/tmp/to_scwrl_641383196.pdb -s /var/tmp/to_scwrl_641383196.seq -o /var/tmp/from_scwrl_641383196.pdb > /var/tmp/scwrl_641383196.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_641383196.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1900046747.pdb -s /var/tmp/to_scwrl_1900046747.seq -o /var/tmp/from_scwrl_1900046747.pdb > /var/tmp/scwrl_1900046747.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1900046747.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_951752793.pdb -s /var/tmp/to_scwrl_951752793.seq -o /var/tmp/from_scwrl_951752793.pdb > /var/tmp/scwrl_951752793.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_951752793.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_975873275.pdb -s /var/tmp/to_scwrl_975873275.seq -o /var/tmp/from_scwrl_975873275.pdb > /var/tmp/scwrl_975873275.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_975873275.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # Found a chain break before 179 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1183085231.pdb -s /var/tmp/to_scwrl_1183085231.seq -o /var/tmp/from_scwrl_1183085231.pdb > /var/tmp/scwrl_1183085231.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1183085231.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_66501812.pdb -s /var/tmp/to_scwrl_66501812.seq -o /var/tmp/from_scwrl_66501812.pdb > /var/tmp/scwrl_66501812.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_66501812.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1868248060.pdb -s /var/tmp/to_scwrl_1868248060.seq -o /var/tmp/from_scwrl_1868248060.pdb > /var/tmp/scwrl_1868248060.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1868248060.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 149 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1745880897.pdb -s /var/tmp/to_scwrl_1745880897.seq -o /var/tmp/from_scwrl_1745880897.pdb > /var/tmp/scwrl_1745880897.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1745880897.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 81 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_276301256.pdb -s /var/tmp/to_scwrl_276301256.seq -o /var/tmp/from_scwrl_276301256.pdb > /var/tmp/scwrl_276301256.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_276301256.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 134 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2069118735.pdb -s /var/tmp/to_scwrl_2069118735.seq -o /var/tmp/from_scwrl_2069118735.pdb > /var/tmp/scwrl_2069118735.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2069118735.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 107 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1214415561.pdb -s /var/tmp/to_scwrl_1214415561.seq -o /var/tmp/from_scwrl_1214415561.pdb > /var/tmp/scwrl_1214415561.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1214415561.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 168 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1429127350.pdb -s /var/tmp/to_scwrl_1429127350.seq -o /var/tmp/from_scwrl_1429127350.pdb > /var/tmp/scwrl_1429127350.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1429127350.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 157 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_869837683.pdb -s /var/tmp/to_scwrl_869837683.seq -o /var/tmp/from_scwrl_869837683.pdb > /var/tmp/scwrl_869837683.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_869837683.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 # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1878317092.pdb -s /var/tmp/to_scwrl_1878317092.seq -o /var/tmp/from_scwrl_1878317092.pdb > /var/tmp/scwrl_1878317092.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1878317092.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 151 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1478333807.pdb -s /var/tmp/to_scwrl_1478333807.seq -o /var/tmp/from_scwrl_1478333807.pdb > /var/tmp/scwrl_1478333807.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1478333807.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 157 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1959170468.pdb -s /var/tmp/to_scwrl_1959170468.seq -o /var/tmp/from_scwrl_1959170468.pdb > /var/tmp/scwrl_1959170468.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1959170468.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 178 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_275030183.pdb -s /var/tmp/to_scwrl_275030183.seq -o /var/tmp/from_scwrl_275030183.pdb > /var/tmp/scwrl_275030183.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_275030183.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 80 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_438605502.pdb -s /var/tmp/to_scwrl_438605502.seq -o /var/tmp/from_scwrl_438605502.pdb > /var/tmp/scwrl_438605502.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_438605502.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 124 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_540728914.pdb -s /var/tmp/to_scwrl_540728914.seq -o /var/tmp/from_scwrl_540728914.pdb > /var/tmp/scwrl_540728914.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_540728914.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 107 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1053466139.pdb -s /var/tmp/to_scwrl_1053466139.seq -o /var/tmp/from_scwrl_1053466139.pdb > /var/tmp/scwrl_1053466139.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1053466139.pdb # conformation set from SCWRL output # naming current conformation RAPTOR_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS4.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_652815992.pdb -s /var/tmp/to_scwrl_652815992.seq -o /var/tmp/from_scwrl_652815992.pdb > /var/tmp/scwrl_652815992.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_652815992.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 167 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1704668516.pdb -s /var/tmp/to_scwrl_1704668516.seq -o /var/tmp/from_scwrl_1704668516.pdb > /var/tmp/scwrl_1704668516.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1704668516.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 # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1787204384.pdb -s /var/tmp/to_scwrl_1787204384.seq -o /var/tmp/from_scwrl_1787204384.pdb > /var/tmp/scwrl_1787204384.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1787204384.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 167 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_577516226.pdb -s /var/tmp/to_scwrl_577516226.seq -o /var/tmp/from_scwrl_577516226.pdb > /var/tmp/scwrl_577516226.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_577516226.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 # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_383005462.pdb -s /var/tmp/to_scwrl_383005462.seq -o /var/tmp/from_scwrl_383005462.pdb > /var/tmp/scwrl_383005462.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_383005462.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 109 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1351616173.pdb -s /var/tmp/to_scwrl_1351616173.seq -o /var/tmp/from_scwrl_1351616173.pdb > /var/tmp/scwrl_1351616173.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1351616173.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS5.pdb.gz looking for model 1 # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_873606514.pdb -s /var/tmp/to_scwrl_873606514.seq -o /var/tmp/from_scwrl_873606514.pdb > /var/tmp/scwrl_873606514.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_873606514.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: atoms too close: (T0299)K16.CA and (T0299)K16.CB only 0.000 apart, marking (T0299)K16.CB as missing WARNING: atoms too close: (T0299)K18.CA and (T0299)K18.CB only 0.000 apart, marking (T0299)K18.CB as missing WARNING: atoms too close: (T0299)N30.CA and (T0299)N30.CB only 0.000 apart, marking (T0299)N30.CB as missing WARNING: atoms too close: (T0299)K35.CA and (T0299)K35.CB only 0.000 apart, marking (T0299)K35.CB as missing WARNING: atoms too close: (T0299)I50.CA and (T0299)I50.CB only 0.000 apart, marking (T0299)I50.CB as missing WARNING: atoms too close: (T0299)Q72.CA and (T0299)Q72.CB only 0.000 apart, marking (T0299)Q72.CB as missing WARNING: atoms too close: (T0299)L79.CA and (T0299)L79.CB only 0.000 apart, marking (T0299)L79.CB as missing WARNING: atoms too close: (T0299)F82.CA and (T0299)F82.CB only 0.000 apart, marking (T0299)F82.CB as missing WARNING: atoms too close: (T0299)E85.CA and (T0299)E85.CB only 0.000 apart, marking (T0299)E85.CB as missing WARNING: atoms too close: (T0299)E87.CA and (T0299)E87.CB only 0.000 apart, marking (T0299)E87.CB as missing WARNING: atoms too close: (T0299)A91.CA and (T0299)A91.CB only 0.000 apart, marking (T0299)A91.CB as missing WARNING: atoms too close: (T0299)Y105.CA and (T0299)Y105.CB only 0.000 apart, marking (T0299)Y105.CB as missing WARNING: atoms too close: (T0299)E107.CA and (T0299)E107.CB only 0.000 apart, marking (T0299)E107.CB as missing WARNING: atoms too close: (T0299)E122.CA and (T0299)E122.CB only 0.000 apart, marking (T0299)E122.CB as missing WARNING: atoms too close: (T0299)F130.CA and (T0299)F130.CB only 0.000 apart, marking (T0299)F130.CB as missing WARNING: atoms too close: (T0299)K139.CA and (T0299)K139.CB only 0.000 apart, marking (T0299)K139.CB as missing WARNING: atoms too close: (T0299)E142.CA and (T0299)E142.CB only 0.000 apart, marking (T0299)E142.CB as missing WARNING: atoms too close: (T0299)Y150.CA and (T0299)Y150.CB only 0.000 apart, marking (T0299)Y150.CB as missing WARNING: atoms too close: (T0299)K173.CA and (T0299)K173.CB only 0.000 apart, marking (T0299)K173.CB as missing # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_956891711.pdb -s /var/tmp/to_scwrl_956891711.seq -o /var/tmp/from_scwrl_956891711.pdb > /var/tmp/scwrl_956891711.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_956891711.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: atoms too close: (T0299)K16.CA and (T0299)K16.CB only 0.000 apart, marking (T0299)K16.CB as missing WARNING: atoms too close: (T0299)M21.CA and (T0299)M21.CB only 0.000 apart, marking (T0299)M21.CB as missing WARNING: atoms too close: (T0299)L33.CA and (T0299)L33.CB only 0.000 apart, marking (T0299)L33.CB as missing WARNING: atoms too close: (T0299)S49.CA and (T0299)S49.CB only 0.000 apart, marking (T0299)S49.CB as missing WARNING: atoms too close: (T0299)I50.CA and (T0299)I50.CB only 0.000 apart, marking (T0299)I50.CB as missing WARNING: atoms too close: (T0299)V66.CA and (T0299)V66.CB only 0.000 apart, marking (T0299)V66.CB as missing WARNING: atoms too close: (T0299)P69.CA and (T0299)P69.CB only 0.000 apart, marking (T0299)P69.CB as missing WARNING: atoms too close: (T0299)L103.CA and (T0299)L103.CB only 0.000 apart, marking (T0299)L103.CB as missing WARNING: atoms too close: (T0299)V111.CA and (T0299)V111.CB only 0.000 apart, marking (T0299)V111.CB as missing WARNING: atoms too close: (T0299)E126.CA and (T0299)E126.CB only 0.000 apart, marking (T0299)E126.CB as missing WARNING: atoms too close: (T0299)Y129.CA and (T0299)Y129.CB only 0.000 apart, marking (T0299)Y129.CB as missing WARNING: atoms too close: (T0299)L133.CA and (T0299)L133.CB only 0.000 apart, marking (T0299)L133.CB as missing WARNING: atoms too close: (T0299)F136.CA and (T0299)F136.CB only 0.000 apart, marking (T0299)F136.CB as missing WARNING: atoms too close: (T0299)Y145.CA and (T0299)Y145.CB only 0.000 apart, marking (T0299)Y145.CB as missing WARNING: atoms too close: (T0299)L155.CA and (T0299)L155.CB only 0.000 apart, marking (T0299)L155.CB as missing WARNING: atoms too close: (T0299)A168.CA and (T0299)A168.CB only 0.000 apart, marking (T0299)A168.CB as missing # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_816501764.pdb -s /var/tmp/to_scwrl_816501764.seq -o /var/tmp/from_scwrl_816501764.pdb > /var/tmp/scwrl_816501764.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_816501764.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 WARNING: atoms too close: (T0299)V8.CA and (T0299)V8.CB only 0.000 apart, marking (T0299)V8.CB as missing WARNING: atoms too close: (T0299)I11.CA and (T0299)I11.CB only 0.000 apart, marking (T0299)I11.CB as missing WARNING: atoms too close: (T0299)R25.CA and (T0299)R25.CB only 0.000 apart, marking (T0299)R25.CB as missing WARNING: atoms too close: (T0299)N30.CA and (T0299)N30.CB only 0.000 apart, marking (T0299)N30.CB as missing WARNING: atoms too close: (T0299)K53.CA and (T0299)K53.CB only 0.000 apart, marking (T0299)K53.CB as missing WARNING: atoms too close: (T0299)E58.CA and (T0299)E58.CB only 0.000 apart, marking (T0299)E58.CB as missing WARNING: atoms too close: (T0299)K59.CA and (T0299)K59.CB only 0.000 apart, marking (T0299)K59.CB as missing WARNING: atoms too close: (T0299)F70.CA and (T0299)F70.CB only 0.000 apart, marking (T0299)F70.CB as missing WARNING: atoms too close: (T0299)F74.CA and (T0299)F74.CB only 0.000 apart, marking (T0299)F74.CB as missing WARNING: atoms too close: (T0299)F82.CA and (T0299)F82.CB only 0.000 apart, marking (T0299)F82.CB as missing WARNING: atoms too close: (T0299)E85.CA and (T0299)E85.CB only 0.000 apart, marking (T0299)E85.CB as missing WARNING: atoms too close: (T0299)N88.CA and (T0299)N88.CB only 0.000 apart, marking (T0299)N88.CB as missing WARNING: atoms too close: (T0299)W92.CA and (T0299)W92.CB only 0.000 apart, marking (T0299)W92.CB as missing WARNING: atoms too close: (T0299)A98.CA and (T0299)A98.CB only 0.000 apart, marking (T0299)A98.CB as missing WARNING: atoms too close: (T0299)K100.CA and (T0299)K100.CB only 0.000 apart, marking (T0299)K100.CB as missing WARNING: atoms too close: (T0299)E119.CA and (T0299)E119.CB only 0.000 apart, marking (T0299)E119.CB as missing WARNING: atoms too close: (T0299)L121.CA and (T0299)L121.CB only 0.000 apart, marking (T0299)L121.CB as missing WARNING: atoms too close: (T0299)E126.CA and (T0299)E126.CB only 0.000 apart, marking (T0299)E126.CB as missing WARNING: atoms too close: (T0299)F130.CA and (T0299)F130.CB only 0.000 apart, marking (T0299)F130.CB as missing WARNING: atoms too close: (T0299)K139.CA and (T0299)K139.CB only 0.000 apart, marking (T0299)K139.CB as missing WARNING: atoms too close: (T0299)Y145.CA and (T0299)Y145.CB only 0.000 apart, marking (T0299)Y145.CB as missing WARNING: atoms too close: (T0299)L155.CA and (T0299)L155.CB only 0.000 apart, marking (T0299)L155.CB as missing WARNING: atoms too close: (T0299)K180.CA and (T0299)K180.CB only 0.000 apart, marking (T0299)K180.CB as missing # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1058617110.pdb -s /var/tmp/to_scwrl_1058617110.seq -o /var/tmp/from_scwrl_1058617110.pdb > /var/tmp/scwrl_1058617110.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1058617110.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 WARNING: atoms too close: (T0299)Y4.CA and (T0299)Y4.CB only 0.000 apart, marking (T0299)Y4.CB as missing WARNING: atoms too close: (T0299)A5.CA and (T0299)A5.CB only 0.000 apart, marking (T0299)A5.CB as missing WARNING: atoms too close: (T0299)L6.CA and (T0299)L6.CB only 0.000 apart, marking (T0299)L6.CB as missing WARNING: atoms too close: (T0299)I11.CA and (T0299)I11.CB only 0.000 apart, marking (T0299)I11.CB as missing WARNING: atoms too close: (T0299)K16.CA and (T0299)K16.CB only 0.000 apart, marking (T0299)K16.CB as missing WARNING: atoms too close: (T0299)V19.CA and (T0299)V19.CB only 0.000 apart, marking (T0299)V19.CB as missing WARNING: atoms too close: (T0299)L33.CA and (T0299)L33.CB only 0.000 apart, marking (T0299)L33.CB as missing WARNING: atoms too close: (T0299)I45.CA and (T0299)I45.CB only 0.000 apart, marking (T0299)I45.CB as missing WARNING: atoms too close: (T0299)Y68.CA and (T0299)Y68.CB only 0.000 apart, marking (T0299)Y68.CB as missing WARNING: atoms too close: (T0299)P69.CA and (T0299)P69.CB only 0.000 apart, marking (T0299)P69.CB as missing WARNING: atoms too close: (T0299)F70.CA and (T0299)F70.CB only 0.000 apart, marking (T0299)F70.CB as missing WARNING: atoms too close: (T0299)Q72.CA and (T0299)Q72.CB only 0.000 apart, marking (T0299)Q72.CB as missing WARNING: atoms too close: (T0299)F82.CA and (T0299)F82.CB only 0.000 apart, marking (T0299)F82.CB as missing WARNING: atoms too close: (T0299)L89.CA and (T0299)L89.CB only 0.000 apart, marking (T0299)L89.CB as missing WARNING: atoms too close: (T0299)A91.CA and (T0299)A91.CB only 0.000 apart, marking (T0299)A91.CB as missing WARNING: atoms too close: (T0299)L128.CA and (T0299)L128.CB only 0.000 apart, marking (T0299)L128.CB as missing WARNING: atoms too close: (T0299)F130.CA and (T0299)F130.CB only 0.000 apart, marking (T0299)F130.CB as missing WARNING: atoms too close: (T0299)K132.CA and (T0299)K132.CB only 0.000 apart, marking (T0299)K132.CB as missing WARNING: atoms too close: (T0299)L133.CA and (T0299)L133.CB only 0.000 apart, marking (T0299)L133.CB as missing WARNING: atoms too close: (T0299)W137.CA and (T0299)W137.CB only 0.000 apart, marking (T0299)W137.CB as missing WARNING: atoms too close: (T0299)E143.CA and (T0299)E143.CB only 0.000 apart, marking (T0299)E143.CB as missing WARNING: atoms too close: (T0299)Y153.CA and (T0299)Y153.CB only 0.000 apart, marking (T0299)Y153.CB as missing WARNING: atoms too close: (T0299)K156.CA and (T0299)K156.CB only 0.000 apart, marking (T0299)K156.CB as missing # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1163482681.pdb -s /var/tmp/to_scwrl_1163482681.seq -o /var/tmp/from_scwrl_1163482681.pdb > /var/tmp/scwrl_1163482681.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1163482681.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 WARNING: atoms too close: (T0299)L28.CA and (T0299)L28.CB only 0.000 apart, marking (T0299)L28.CB as missing WARNING: atoms too close: (T0299)T29.CA and (T0299)T29.CB only 0.000 apart, marking (T0299)T29.CB as missing WARNING: atoms too close: (T0299)K35.CA and (T0299)K35.CB only 0.000 apart, marking (T0299)K35.CB as missing WARNING: atoms too close: (T0299)Y39.CA and (T0299)Y39.CB only 0.000 apart, marking (T0299)Y39.CB as missing WARNING: atoms too close: (T0299)S49.CA and (T0299)S49.CB only 0.000 apart, marking (T0299)S49.CB as missing WARNING: atoms too close: (T0299)D51.CA and (T0299)D51.CB only 0.000 apart, marking (T0299)D51.CB as missing WARNING: atoms too close: (T0299)F64.CA and (T0299)F64.CB only 0.000 apart, marking (T0299)F64.CB as missing WARNING: atoms too close: (T0299)V66.CA and (T0299)V66.CB only 0.000 apart, marking (T0299)V66.CB as missing WARNING: atoms too close: (T0299)Y68.CA and (T0299)Y68.CB only 0.000 apart, marking (T0299)Y68.CB as missing WARNING: atoms too close: (T0299)F74.CA and (T0299)F74.CB only 0.000 apart, marking (T0299)F74.CB as missing WARNING: atoms too close: (T0299)L76.CA and (T0299)L76.CB only 0.000 apart, marking (T0299)L76.CB as missing WARNING: atoms too close: (T0299)L79.CA and (T0299)L79.CB only 0.000 apart, marking (T0299)L79.CB as missing WARNING: atoms too close: (T0299)E80.CA and (T0299)E80.CB only 0.000 apart, marking (T0299)E80.CB as missing WARNING: atoms too close: (T0299)E85.CA and (T0299)E85.CB only 0.000 apart, marking (T0299)E85.CB as missing WARNING: atoms too close: (T0299)L86.CA and (T0299)L86.CB only 0.000 apart, marking (T0299)L86.CB as missing WARNING: atoms too close: (T0299)A91.CA and (T0299)A91.CB only 0.000 apart, marking (T0299)A91.CB as missing WARNING: atoms too close: (T0299)S94.CA and (T0299)S94.CB only 0.000 apart, marking (T0299)S94.CB as missing WARNING: atoms too close: (T0299)L103.CA and (T0299)L103.CB only 0.000 apart, marking (T0299)L103.CB as missing WARNING: atoms too close: (T0299)V118.CA and (T0299)V118.CB only 0.000 apart, marking (T0299)V118.CB as missing WARNING: atoms too close: (T0299)E126.CA and (T0299)E126.CB only 0.000 apart, marking (T0299)E126.CB as missing WARNING: atoms too close: (T0299)K139.CA and (T0299)K139.CB only 0.000 apart, marking (T0299)K139.CB as missing WARNING: atoms too close: (T0299)S144.CA and (T0299)S144.CB only 0.000 apart, marking (T0299)S144.CB as missing WARNING: atoms too close: (T0299)L155.CA and (T0299)L155.CB only 0.000 apart, marking (T0299)L155.CB as missing WARNING: atoms too close: (T0299)P158.CA and (T0299)P158.CB only 0.000 apart, marking (T0299)P158.CB as missing WARNING: atoms too close: (T0299)F171.CA and (T0299)F171.CB only 0.000 apart, marking (T0299)F171.CB as missing # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1457884959.pdb -s /var/tmp/to_scwrl_1457884959.seq -o /var/tmp/from_scwrl_1457884959.pdb > /var/tmp/scwrl_1457884959.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1457884959.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_811180210.pdb -s /var/tmp/to_scwrl_811180210.seq -o /var/tmp/from_scwrl_811180210.pdb > /var/tmp/scwrl_811180210.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_811180210.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 T0299 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2115235474.pdb -s /var/tmp/to_scwrl_2115235474.seq -o /var/tmp/from_scwrl_2115235474.pdb > /var/tmp/scwrl_2115235474.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2115235474.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_286274587.pdb -s /var/tmp/to_scwrl_286274587.seq -o /var/tmp/from_scwrl_286274587.pdb > /var/tmp/scwrl_286274587.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_286274587.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 T0299 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1994265442.pdb -s /var/tmp/to_scwrl_1994265442.seq -o /var/tmp/from_scwrl_1994265442.pdb > /var/tmp/scwrl_1994265442.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1994265442.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 T0299 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_34253640.pdb -s /var/tmp/to_scwrl_34253640.seq -o /var/tmp/from_scwrl_34253640.pdb > /var/tmp/scwrl_34253640.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_34253640.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 165 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_7039000.pdb -s /var/tmp/to_scwrl_7039000.seq -o /var/tmp/from_scwrl_7039000.pdb > /var/tmp/scwrl_7039000.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_7039000.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 T0299 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1592662692.pdb -s /var/tmp/to_scwrl_1592662692.seq -o /var/tmp/from_scwrl_1592662692.pdb > /var/tmp/scwrl_1592662692.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1592662692.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 T0299 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_310554896.pdb -s /var/tmp/to_scwrl_310554896.seq -o /var/tmp/from_scwrl_310554896.pdb > /var/tmp/scwrl_310554896.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_310554896.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 T0299 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2076157736.pdb -s /var/tmp/to_scwrl_2076157736.seq -o /var/tmp/from_scwrl_2076157736.pdb > /var/tmp/scwrl_2076157736.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2076157736.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 T0299 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_659594607.pdb -s /var/tmp/to_scwrl_659594607.seq -o /var/tmp/from_scwrl_659594607.pdb > /var/tmp/scwrl_659594607.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_659594607.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 # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1739682246.pdb -s /var/tmp/to_scwrl_1739682246.seq -o /var/tmp/from_scwrl_1739682246.pdb > /var/tmp/scwrl_1739682246.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1739682246.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 171 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_798511772.pdb -s /var/tmp/to_scwrl_798511772.seq -o /var/tmp/from_scwrl_798511772.pdb > /var/tmp/scwrl_798511772.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_798511772.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 89 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_390428052.pdb -s /var/tmp/to_scwrl_390428052.seq -o /var/tmp/from_scwrl_390428052.pdb > /var/tmp/scwrl_390428052.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_390428052.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 157 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1070532408.pdb -s /var/tmp/to_scwrl_1070532408.seq -o /var/tmp/from_scwrl_1070532408.pdb > /var/tmp/scwrl_1070532408.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1070532408.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 89 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_610198594.pdb -s /var/tmp/to_scwrl_610198594.seq -o /var/tmp/from_scwrl_610198594.pdb > /var/tmp/scwrl_610198594.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_610198594.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 133 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_665458236.pdb -s /var/tmp/to_scwrl_665458236.seq -o /var/tmp/from_scwrl_665458236.pdb > /var/tmp/scwrl_665458236.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_665458236.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 # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1509137909.pdb -s /var/tmp/to_scwrl_1509137909.seq -o /var/tmp/from_scwrl_1509137909.pdb > /var/tmp/scwrl_1509137909.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1509137909.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 175 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1150927507.pdb -s /var/tmp/to_scwrl_1150927507.seq -o /var/tmp/from_scwrl_1150927507.pdb > /var/tmp/scwrl_1150927507.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1150927507.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 149 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1718924374.pdb -s /var/tmp/to_scwrl_1718924374.seq -o /var/tmp/from_scwrl_1718924374.pdb > /var/tmp/scwrl_1718924374.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1718924374.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 89 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_14470255.pdb -s /var/tmp/to_scwrl_14470255.seq -o /var/tmp/from_scwrl_14470255.pdb > /var/tmp/scwrl_14470255.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_14470255.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 106 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_708112378.pdb -s /var/tmp/to_scwrl_708112378.seq -o /var/tmp/from_scwrl_708112378.pdb > /var/tmp/scwrl_708112378.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_708112378.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 140 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1358645111.pdb -s /var/tmp/to_scwrl_1358645111.seq -o /var/tmp/from_scwrl_1358645111.pdb > /var/tmp/scwrl_1358645111.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1358645111.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 77 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_591986481.pdb -s /var/tmp/to_scwrl_591986481.seq -o /var/tmp/from_scwrl_591986481.pdb > /var/tmp/scwrl_591986481.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_591986481.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 148 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1091117839.pdb -s /var/tmp/to_scwrl_1091117839.seq -o /var/tmp/from_scwrl_1091117839.pdb > /var/tmp/scwrl_1091117839.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1091117839.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS4-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS5.pdb.gz looking for model 1 # Found a chain break before 101 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_562777638.pdb -s /var/tmp/to_scwrl_562777638.seq -o /var/tmp/from_scwrl_562777638.pdb > /var/tmp/scwrl_562777638.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_562777638.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 T0299 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1465592994.pdb -s /var/tmp/to_scwrl_1465592994.seq -o /var/tmp/from_scwrl_1465592994.pdb > /var/tmp/scwrl_1465592994.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1465592994.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 T0299 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2048009550.pdb -s /var/tmp/to_scwrl_2048009550.seq -o /var/tmp/from_scwrl_2048009550.pdb > /var/tmp/scwrl_2048009550.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2048009550.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 T0299 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1379279401.pdb -s /var/tmp/to_scwrl_1379279401.seq -o /var/tmp/from_scwrl_1379279401.pdb > /var/tmp/scwrl_1379279401.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1379279401.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 T0299 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_376726457.pdb -s /var/tmp/to_scwrl_376726457.seq -o /var/tmp/from_scwrl_376726457.pdb > /var/tmp/scwrl_376726457.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_376726457.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 T0299 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1064008585.pdb -s /var/tmp/to_scwrl_1064008585.seq -o /var/tmp/from_scwrl_1064008585.pdb > /var/tmp/scwrl_1064008585.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1064008585.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 T0299 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_689680714.pdb -s /var/tmp/to_scwrl_689680714.seq -o /var/tmp/from_scwrl_689680714.pdb > /var/tmp/scwrl_689680714.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_689680714.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 T0299 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1187906667.pdb -s /var/tmp/to_scwrl_1187906667.seq -o /var/tmp/from_scwrl_1187906667.pdb > /var/tmp/scwrl_1187906667.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1187906667.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 T0299 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1031760412.pdb -s /var/tmp/to_scwrl_1031760412.seq -o /var/tmp/from_scwrl_1031760412.pdb > /var/tmp/scwrl_1031760412.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1031760412.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 T0299 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_975955301.pdb -s /var/tmp/to_scwrl_975955301.seq -o /var/tmp/from_scwrl_975955301.pdb > /var/tmp/scwrl_975955301.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_975955301.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 T0299 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1034688463.pdb -s /var/tmp/to_scwrl_1034688463.seq -o /var/tmp/from_scwrl_1034688463.pdb > /var/tmp/scwrl_1034688463.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1034688463.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 T0299 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1066014052.pdb -s /var/tmp/to_scwrl_1066014052.seq -o /var/tmp/from_scwrl_1066014052.pdb > /var/tmp/scwrl_1066014052.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1066014052.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 161 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_982994301.pdb -s /var/tmp/to_scwrl_982994301.seq -o /var/tmp/from_scwrl_982994301.pdb > /var/tmp/scwrl_982994301.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_982994301.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 161 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_479867508.pdb -s /var/tmp/to_scwrl_479867508.seq -o /var/tmp/from_scwrl_479867508.pdb > /var/tmp/scwrl_479867508.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_479867508.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 174 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1376568948.pdb -s /var/tmp/to_scwrl_1376568948.seq -o /var/tmp/from_scwrl_1376568948.pdb > /var/tmp/scwrl_1376568948.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1376568948.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 166 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_911668390.pdb -s /var/tmp/to_scwrl_911668390.seq -o /var/tmp/from_scwrl_911668390.pdb > /var/tmp/scwrl_911668390.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_911668390.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 177 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1139462114.pdb -s /var/tmp/to_scwrl_1139462114.seq -o /var/tmp/from_scwrl_1139462114.pdb > /var/tmp/scwrl_1139462114.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1139462114.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 174 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_968767548.pdb -s /var/tmp/to_scwrl_968767548.seq -o /var/tmp/from_scwrl_968767548.pdb > /var/tmp/scwrl_968767548.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_968767548.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 174 # copying to AlignedFragments data structure # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1710180162.pdb -s /var/tmp/to_scwrl_1710180162.seq -o /var/tmp/from_scwrl_1710180162.pdb > /var/tmp/scwrl_1710180162.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1710180162.pdb # conformation set from SCWRL output # naming current conformation beautshotbase_TS1-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1529890166.pdb -s /var/tmp/to_scwrl_1529890166.seq -o /var/tmp/from_scwrl_1529890166.pdb > /var/tmp/scwrl_1529890166.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1529890166.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 T0299 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2039299955.pdb -s /var/tmp/to_scwrl_2039299955.seq -o /var/tmp/from_scwrl_2039299955.pdb > /var/tmp/scwrl_2039299955.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2039299955.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 T0299 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_172895109.pdb -s /var/tmp/to_scwrl_172895109.seq -o /var/tmp/from_scwrl_172895109.pdb > /var/tmp/scwrl_172895109.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_172895109.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 Skipped atom 5, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL4.pdb.gz # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_47864755.pdb -s /var/tmp/to_scwrl_47864755.seq -o /var/tmp/from_scwrl_47864755.pdb > /var/tmp/scwrl_47864755.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_47864755.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 T0299 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1400954218.pdb -s /var/tmp/to_scwrl_1400954218.seq -o /var/tmp/from_scwrl_1400954218.pdb > /var/tmp/scwrl_1400954218.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1400954218.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1323822616.pdb -s /var/tmp/to_scwrl_1323822616.seq -o /var/tmp/from_scwrl_1323822616.pdb > /var/tmp/scwrl_1323822616.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1323822616.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 92 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1766789129.pdb -s /var/tmp/to_scwrl_1766789129.seq -o /var/tmp/from_scwrl_1766789129.pdb > /var/tmp/scwrl_1766789129.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1766789129.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 97 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1415424473.pdb -s /var/tmp/to_scwrl_1415424473.seq -o /var/tmp/from_scwrl_1415424473.pdb > /var/tmp/scwrl_1415424473.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1415424473.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 177 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2031934994.pdb -s /var/tmp/to_scwrl_2031934994.seq -o /var/tmp/from_scwrl_2031934994.pdb > /var/tmp/scwrl_2031934994.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2031934994.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 152 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_977950594.pdb -s /var/tmp/to_scwrl_977950594.seq -o /var/tmp/from_scwrl_977950594.pdb > /var/tmp/scwrl_977950594.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_977950594.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS1.pdb.gz looking for model 1 # Found a chain break before 178 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_2007410954.pdb -s /var/tmp/to_scwrl_2007410954.seq -o /var/tmp/from_scwrl_2007410954.pdb > /var/tmp/scwrl_2007410954.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2007410954.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 177 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_975569187.pdb -s /var/tmp/to_scwrl_975569187.seq -o /var/tmp/from_scwrl_975569187.pdb > /var/tmp/scwrl_975569187.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_975569187.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 WARNING: atoms too close: (T0299)G131.O and (T0299)K132.N only 0.000 apart, marking (T0299)K132.N as missing # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1540728231.pdb -s /var/tmp/to_scwrl_1540728231.seq -o /var/tmp/from_scwrl_1540728231.pdb > /var/tmp/scwrl_1540728231.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1540728231.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 177 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1325520302.pdb -s /var/tmp/to_scwrl_1325520302.seq -o /var/tmp/from_scwrl_1325520302.pdb > /var/tmp/scwrl_1325520302.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1325520302.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS5.pdb.gz looking for model 1 # Found a chain break before 179 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_876095090.pdb -s /var/tmp/to_scwrl_876095090.seq -o /var/tmp/from_scwrl_876095090.pdb > /var/tmp/scwrl_876095090.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_876095090.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS5-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_772523986.pdb -s /var/tmp/to_scwrl_772523986.seq -o /var/tmp/from_scwrl_772523986.pdb > /var/tmp/scwrl_772523986.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_772523986.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 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1702246759.pdb -s /var/tmp/to_scwrl_1702246759.seq -o /var/tmp/from_scwrl_1702246759.pdb > /var/tmp/scwrl_1702246759.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1702246759.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 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1940103674.pdb -s /var/tmp/to_scwrl_1940103674.seq -o /var/tmp/from_scwrl_1940103674.pdb > /var/tmp/scwrl_1940103674.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1940103674.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 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1462204699.pdb -s /var/tmp/to_scwrl_1462204699.seq -o /var/tmp/from_scwrl_1462204699.pdb > /var/tmp/scwrl_1462204699.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1462204699.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 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_742669780.pdb -s /var/tmp/to_scwrl_742669780.seq -o /var/tmp/from_scwrl_742669780.pdb > /var/tmp/scwrl_742669780.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_742669780.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 T0299 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_824380440.pdb -s /var/tmp/to_scwrl_824380440.seq -o /var/tmp/from_scwrl_824380440.pdb > /var/tmp/scwrl_824380440.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_824380440.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 T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_290676353.pdb -s /var/tmp/to_scwrl_290676353.seq -o /var/tmp/from_scwrl_290676353.pdb > /var/tmp/scwrl_290676353.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_290676353.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS1-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1777358242.pdb -s /var/tmp/to_scwrl_1777358242.seq -o /var/tmp/from_scwrl_1777358242.pdb > /var/tmp/scwrl_1777358242.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1777358242.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS2-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1890394491.pdb -s /var/tmp/to_scwrl_1890394491.seq -o /var/tmp/from_scwrl_1890394491.pdb > /var/tmp/scwrl_1890394491.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1890394491.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS3-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1273670654.pdb -s /var/tmp/to_scwrl_1273670654.seq -o /var/tmp/from_scwrl_1273670654.pdb > /var/tmp/scwrl_1273670654.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1273670654.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS4-scwrl # ReadConformPDB reading from PDB file servers/nFOLD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0299 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_109742103.pdb -s /var/tmp/to_scwrl_109742103.seq -o /var/tmp/from_scwrl_109742103.pdb > /var/tmp/scwrl_109742103.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_109742103.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 T0299 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_1119479792.pdb -s /var/tmp/to_scwrl_1119479792.seq -o /var/tmp/from_scwrl_1119479792.pdb > /var/tmp/scwrl_1119479792.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1119479792.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 # Found a chain break before 169 # copying to AlignedFragments data structure # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 162 ; scwrl3 -i /var/tmp/to_scwrl_37855397.pdb -s /var/tmp/to_scwrl_37855397.seq -o /var/tmp/from_scwrl_37855397.pdb > /var/tmp/scwrl_37855397.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_37855397.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 50.134 sec, elapsed time= 554.694 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 116.748 real_cost = 290.571 shub_TS1 costs 116.748 real_cost = 295.744 panther2_TS1-scwrl costs 123.304 real_cost = 500.917 panther2_TS1 costs 123.320 real_cost = 509.939 nFOLD_TS5-scwrl costs 73.246 real_cost = 293.413 nFOLD_TS5 costs 73.250 real_cost = 376.996 nFOLD_TS4-scwrl costs 91.563 real_cost = 291.002 nFOLD_TS4 costs 91.570 real_cost = 395.573 nFOLD_TS3-scwrl costs 86.711 real_cost = 403.583 nFOLD_TS3 costs 86.711 real_cost = 402.342 nFOLD_TS2-scwrl costs 82.266 real_cost = 298.983 nFOLD_TS2 costs 82.269 real_cost = 398.007 nFOLD_TS1-scwrl costs 95.741 real_cost = 380.741 nFOLD_TS1 costs 95.741 real_cost = 380.848 mGen-3D_TS1-scwrl costs 84.620 real_cost = 320.037 mGen-3D_TS1 costs 84.593 real_cost = 418.818 keasar-server_TS5-scwrl costs 107.228 real_cost = 433.464 keasar-server_TS5 costs 107.234 real_cost = 439.561 keasar-server_TS4-scwrl costs 114.039 real_cost = 404.837 keasar-server_TS4 costs 114.028 real_cost = 397.091 keasar-server_TS3-scwrl costs 124.075 real_cost = 401.227 keasar-server_TS3 costs 124.065 real_cost = 400.119 keasar-server_TS2-scwrl costs 90.292 real_cost = 333.235 keasar-server_TS2 costs 90.274 real_cost = 333.002 keasar-server_TS1-scwrl costs 97.064 real_cost = 349.192 keasar-server_TS1 costs 97.064 real_cost = 352.925 karypis.srv.4_TS5-scwrl costs 124.552 real_cost = 295.950 karypis.srv.4_TS5 costs 124.552 real_cost = 297.295 karypis.srv.4_TS4-scwrl costs 120.578 real_cost = 271.008 karypis.srv.4_TS4 costs 120.578 real_cost = 271.015 karypis.srv.4_TS3-scwrl costs 126.601 real_cost = 285.734 karypis.srv.4_TS3 costs 126.601 real_cost = 285.278 karypis.srv.4_TS2-scwrl costs 144.164 real_cost = 328.018 karypis.srv.4_TS2 costs 144.164 real_cost = 328.018 karypis.srv.4_TS1-scwrl costs 154.698 real_cost = 322.586 karypis.srv.4_TS1 costs 154.698 real_cost = 323.382 karypis.srv.2_TS5-scwrl costs 89.036 real_cost = 254.478 karypis.srv.2_TS5 costs 89.036 real_cost = 254.478 karypis.srv.2_TS4-scwrl costs 87.218 real_cost = 259.698 karypis.srv.2_TS4 costs 87.218 real_cost = 259.698 karypis.srv.2_TS3-scwrl costs 103.297 real_cost = 280.906 karypis.srv.2_TS3 costs 103.297 real_cost = 280.912 karypis.srv.2_TS2-scwrl costs 81.880 real_cost = 252.107 karypis.srv.2_TS2 costs 81.880 real_cost = 252.106 karypis.srv.2_TS1-scwrl costs 87.515 real_cost = 257.107 karypis.srv.2_TS1 costs 87.515 real_cost = 257.107 forecast-s_AL5-scwrl costs 103.153 real_cost = 399.124 forecast-s_AL5 costs 103.060 real_cost = 489.527 forecast-s_AL4-scwrl costs 105.175 real_cost = 329.659 forecast-s_AL4 costs 105.156 real_cost = 433.091 forecast-s_AL3-scwrl costs 109.768 real_cost = 456.500 forecast-s_AL3 costs 109.802 real_cost = 516.064 forecast-s_AL2-scwrl costs 87.740 real_cost = 339.662 forecast-s_AL2 costs 87.754 real_cost = 439.964 forecast-s_AL1-scwrl costs 112.909 real_cost = 411.750 forecast-s_AL1 costs 112.904 real_cost = 514.661 beautshotbase_TS1-scwrl costs 84.420 real_cost = 271.818 beautshotbase_TS1 costs 84.420 real_cost = 272.749 beautshot_TS1-scwrl costs 103.601 real_cost = 301.457 beautshot_TS1 costs 103.601 real_cost = 303.716 Zhang-Server_TS5-scwrl costs 126.673 real_cost = 260.901 Zhang-Server_TS5 costs 126.673 real_cost = 261.610 Zhang-Server_TS4-scwrl costs 98.797 real_cost = 217.624 Zhang-Server_TS4 costs 98.797 real_cost = 242.131 Zhang-Server_TS3-scwrl costs 111.656 real_cost = 263.792 Zhang-Server_TS3 costs 111.656 real_cost = 266.043 Zhang-Server_TS2-scwrl costs 98.958 real_cost = 228.062 Zhang-Server_TS2 costs 98.958 real_cost = 231.590 Zhang-Server_TS1-scwrl costs 79.603 real_cost = 233.670 Zhang-Server_TS1 costs 79.603 real_cost = 235.693 UNI-EID_sfst_AL5-scwrl costs 107.602 real_cost = 397.355 UNI-EID_sfst_AL5 costs 107.502 real_cost = 434.497 UNI-EID_sfst_AL4-scwrl costs 108.867 real_cost = 381.582 UNI-EID_sfst_AL4 costs 108.838 real_cost = 421.158 UNI-EID_sfst_AL3-scwrl costs 100.393 real_cost = 425.561 UNI-EID_sfst_AL3 costs 100.386 real_cost = 449.472 UNI-EID_sfst_AL2-scwrl costs 104.655 real_cost = 493.582 UNI-EID_sfst_AL2 costs 104.634 real_cost = 528.388 UNI-EID_sfst_AL1-scwrl costs 107.596 real_cost = 406.652 UNI-EID_sfst_AL1 costs 107.685 real_cost = 476.116 UNI-EID_expm_TS1-scwrl costs 116.268 real_cost = 367.622 UNI-EID_expm_TS1 costs 116.274 real_cost = 435.048 UNI-EID_bnmx_TS5-scwrl costs 100.194 real_cost = 378.814 UNI-EID_bnmx_TS5 costs 100.135 real_cost = 456.447 UNI-EID_bnmx_TS4-scwrl costs 105.391 real_cost = 379.119 UNI-EID_bnmx_TS4 costs 105.441 real_cost = 456.215 UNI-EID_bnmx_TS3-scwrl costs 112.033 real_cost = 390.953 UNI-EID_bnmx_TS3 costs 111.978 real_cost = 462.817 UNI-EID_bnmx_TS2-scwrl costs 104.302 real_cost = 385.857 UNI-EID_bnmx_TS2 costs 104.388 real_cost = 482.463 UNI-EID_bnmx_TS1-scwrl costs 107.095 real_cost = 392.590 UNI-EID_bnmx_TS1 costs 107.315 real_cost = 477.370 SPARKS2_TS5-scwrl costs 94.181 real_cost = 289.434 SPARKS2_TS5 costs 94.181 real_cost = 292.600 SPARKS2_TS4-scwrl costs 69.063 real_cost = 252.138 SPARKS2_TS4 costs 69.063 real_cost = 256.240 SPARKS2_TS3-scwrl costs 79.728 real_cost = 241.698 SPARKS2_TS3 costs 79.728 real_cost = 251.051 SPARKS2_TS2-scwrl costs 85.025 real_cost = 273.353 SPARKS2_TS2 costs 85.025 real_cost = 274.877 SPARKS2_TS1-scwrl costs 79.721 real_cost = 286.984 SPARKS2_TS1 costs 79.721 real_cost = 292.342 SP4_TS5-scwrl costs 63.900 real_cost = 278.166 SP4_TS5 costs 63.900 real_cost = 278.133 SP4_TS4-scwrl costs 82.789 real_cost = 252.987 SP4_TS4 costs 82.789 real_cost = 253.790 SP4_TS3-scwrl costs 74.165 real_cost = 260.447 SP4_TS3 costs 74.165 real_cost = 268.871 SP4_TS2-scwrl costs 69.665 real_cost = 239.552 SP4_TS2 costs 69.665 real_cost = 242.262 SP4_TS1-scwrl costs 79.764 real_cost = 268.563 SP4_TS1 costs 79.764 real_cost = 272.904 SP3_TS5-scwrl costs 84.050 real_cost = 264.512 SP3_TS5 costs 84.050 real_cost = 267.889 SP3_TS4-scwrl costs 77.240 real_cost = 268.672 SP3_TS4 costs 77.240 real_cost = 272.208 SP3_TS3-scwrl costs 82.936 real_cost = 292.422 SP3_TS3 costs 82.936 real_cost = 291.859 SP3_TS2-scwrl costs 85.156 real_cost = 282.101 SP3_TS2 costs 85.156 real_cost = 287.080 SP3_TS1-scwrl costs 72.495 real_cost = 253.823 SP3_TS1 costs 72.495 real_cost = 258.978 SAM_T06_server_TS5-scwrl costs 92.065 real_cost = 471.265 SAM_T06_server_TS5 costs 91.988 real_cost = 433.864 SAM_T06_server_TS4-scwrl costs 101.932 real_cost = 452.628 SAM_T06_server_TS4 costs 101.949 real_cost = 426.277 SAM_T06_server_TS3-scwrl costs 91.476 real_cost = 403.335 SAM_T06_server_TS3 costs 91.547 real_cost = 380.285 SAM_T06_server_TS2-scwrl costs 92.764 real_cost = 350.023 SAM_T06_server_TS2 costs 92.743 real_cost = 300.255 SAM_T06_server_TS1-scwrl costs 94.167 real_cost = 292.286 SAM_T06_server_TS1 costs 94.167 real_cost = 292.197 SAM-T02_AL5-scwrl costs 98.408 real_cost = 469.344 SAM-T02_AL5 costs 98.515 real_cost = 501.194 SAM-T02_AL4-scwrl costs 97.480 real_cost = 472.264 SAM-T02_AL4 costs 97.468 real_cost = 505.238 SAM-T02_AL3-scwrl costs 99.700 real_cost = 429.370 SAM-T02_AL3 costs 99.692 real_cost = 511.908 SAM-T02_AL2-scwrl costs 111.901 real_cost = 348.030 SAM-T02_AL2 costs 111.881 real_cost = 467.069 SAM-T02_AL1-scwrl costs 90.129 real_cost = 408.308 SAM-T02_AL1 costs 90.214 real_cost = 464.390 ROKKY_TS5-scwrl costs 60.263 real_cost = 220.287 ROKKY_TS5 costs 60.263 real_cost = 337.982 ROKKY_TS4-scwrl costs 65.854 real_cost = 241.473 ROKKY_TS4 costs 65.854 real_cost = 357.389 ROKKY_TS3-scwrl costs 59.760 real_cost = 235.729 ROKKY_TS3 costs 59.760 real_cost = 346.149 ROKKY_TS2-scwrl costs 56.792 real_cost = 234.051 ROKKY_TS2 costs 56.792 real_cost = 346.148 ROKKY_TS1-scwrl costs 57.910 real_cost = 207.861 ROKKY_TS1 costs 57.910 real_cost = 324.507 ROBETTA_TS5-scwrl costs 53.215 real_cost = 202.925 ROBETTA_TS5 costs 53.215 real_cost = 205.365 ROBETTA_TS4-scwrl costs 65.122 real_cost = 265.292 ROBETTA_TS4 costs 65.122 real_cost = 264.958 ROBETTA_TS3-scwrl costs 50.220 real_cost = 231.065 ROBETTA_TS3 costs 50.220 real_cost = 235.051 ROBETTA_TS2-scwrl costs 74.856 real_cost = 263.276 ROBETTA_TS2 costs 74.856 real_cost = 267.754 ROBETTA_TS1-scwrl costs 47.833 real_cost = 193.912 ROBETTA_TS1 costs 47.833 real_cost = 203.615 RAPTOR_TS5-scwrl costs 73.889 real_cost = 260.311 RAPTOR_TS5 costs 73.889 real_cost = 267.148 RAPTOR_TS4-scwrl costs 87.576 real_cost = 270.385 RAPTOR_TS4 costs 87.576 real_cost = 271.151 RAPTOR_TS3-scwrl costs 79.774 real_cost = 238.439 RAPTOR_TS3 costs 79.774 real_cost = 249.593 RAPTOR_TS2-scwrl costs 78.755 real_cost = 247.168 RAPTOR_TS2 costs 78.755 real_cost = 253.720 RAPTOR_TS1-scwrl costs 84.655 real_cost = 247.368 RAPTOR_TS1 costs 84.655 real_cost = 254.178 RAPTORESS_TS5-scwrl costs 92.631 real_cost = 269.680 RAPTORESS_TS5 costs 92.631 real_cost = 274.237 RAPTORESS_TS4-scwrl costs 99.886 real_cost = 277.706 RAPTORESS_TS4 costs 99.886 real_cost = 281.650 RAPTORESS_TS3-scwrl costs 92.646 real_cost = 283.454 RAPTORESS_TS3 costs 92.646 real_cost = 285.734 RAPTORESS_TS2-scwrl costs 85.898 real_cost = 259.656 RAPTORESS_TS2 costs 85.898 real_cost = 268.611 RAPTORESS_TS1-scwrl costs 106.823 real_cost = 287.120 RAPTORESS_TS1 costs 106.823 real_cost = 292.741 RAPTOR-ACE_TS5-scwrl costs 75.803 real_cost = 276.983 RAPTOR-ACE_TS5 costs 75.803 real_cost = 278.710 RAPTOR-ACE_TS4-scwrl costs 78.582 real_cost = 273.410 RAPTOR-ACE_TS4 costs 78.582 real_cost = 273.017 RAPTOR-ACE_TS3-scwrl costs 86.982 real_cost = 251.093 RAPTOR-ACE_TS3 costs 86.982 real_cost = 247.036 RAPTOR-ACE_TS2-scwrl costs 94.002 real_cost = 297.661 RAPTOR-ACE_TS2 costs 94.002 real_cost = 300.901 RAPTOR-ACE_TS1-scwrl costs 82.800 real_cost = 253.053 RAPTOR-ACE_TS1 costs 82.800 real_cost = 255.523 Pmodeller6_TS5-scwrl costs 70.576 real_cost = 249.328 Pmodeller6_TS5 costs 70.576 real_cost = 250.107 Pmodeller6_TS4-scwrl costs 53.194 real_cost = 259.269 Pmodeller6_TS4 costs 53.194 real_cost = 257.628 Pmodeller6_TS3-scwrl costs 58.807 real_cost = 249.168 Pmodeller6_TS3 costs 58.807 real_cost = 254.304 Pmodeller6_TS2-scwrl costs 65.654 real_cost = 234.113 Pmodeller6_TS2 costs 65.654 real_cost = 237.521 Pmodeller6_TS1-scwrl costs 47.833 real_cost = 193.912 Pmodeller6_TS1 costs 47.833 real_cost = 203.615 Phyre-2_TS5-scwrl costs 109.899 real_cost = 267.147 Phyre-2_TS5 costs 109.899 real_cost = 265.250 Phyre-2_TS4-scwrl costs 101.075 real_cost = 264.644 Phyre-2_TS4 costs 101.075 real_cost = 263.458 Phyre-2_TS3-scwrl costs 112.150 real_cost = 264.787 Phyre-2_TS3 costs 112.150 real_cost = 264.860 Phyre-2_TS2-scwrl costs 106.934 real_cost = 265.874 Phyre-2_TS2 costs 106.934 real_cost = 266.673 Phyre-2_TS1-scwrl costs 113.785 real_cost = 271.597 Phyre-2_TS1 costs 113.785 real_cost = 271.057 Phyre-1_TS1-scwrl costs 112.408 real_cost = 372.237 Phyre-1_TS1 costs 112.398 real_cost = 369.836 Pcons6_TS5-scwrl costs 65.122 real_cost = 265.292 Pcons6_TS5 costs 65.122 real_cost = 264.958 Pcons6_TS4-scwrl costs 65.654 real_cost = 234.113 Pcons6_TS4 costs 65.654 real_cost = 237.521 Pcons6_TS3-scwrl costs 53.194 real_cost = 259.269 Pcons6_TS3 costs 53.194 real_cost = 257.628 Pcons6_TS2-scwrl costs 58.807 real_cost = 249.168 Pcons6_TS2 costs 58.807 real_cost = 254.304 Pcons6_TS1-scwrl costs 76.962 real_cost = 342.871 Pcons6_TS1 costs 76.952 real_cost = 339.037 PROTINFO_TS5-scwrl costs 85.681 real_cost = 379.183 PROTINFO_TS5 costs 85.687 real_cost = 381.591 PROTINFO_TS4-scwrl costs 66.310 real_cost = 258.789 PROTINFO_TS4 costs 66.310 real_cost = 261.211 PROTINFO_TS3-scwrl costs 106.356 real_cost = 455.974 PROTINFO_TS3 costs 106.343 real_cost = 453.124 PROTINFO_TS2-scwrl costs 71.831 real_cost = 275.356 PROTINFO_TS2 costs 71.831 real_cost = 278.817 PROTINFO_TS1-scwrl costs 103.441 real_cost = 447.870 PROTINFO_TS1 costs 103.428 real_cost = 443.755 PROTINFO-AB_TS5-scwrl costs 71.531 real_cost = 263.412 PROTINFO-AB_TS5 costs 71.531 real_cost = 269.117 PROTINFO-AB_TS4-scwrl costs 66.310 real_cost = 258.789 PROTINFO-AB_TS4 costs 66.310 real_cost = 261.211 PROTINFO-AB_TS3-scwrl costs 74.656 real_cost = 277.307 PROTINFO-AB_TS3 costs 74.656 real_cost = 279.501 PROTINFO-AB_TS2-scwrl costs 71.831 real_cost = 275.356 PROTINFO-AB_TS2 costs 71.831 real_cost = 278.817 PROTINFO-AB_TS1-scwrl costs 75.921 real_cost = 272.613 PROTINFO-AB_TS1 costs 75.921 real_cost = 270.769 NN_PUT_lab_TS1-scwrl costs 76.552 real_cost = 254.735 NN_PUT_lab_TS1 costs 76.570 real_cost = 258.926 MetaTasser_TS5-scwrl costs 85.976 real_cost = 220.964 MetaTasser_TS5 costs 85.976 real_cost = 221.710 MetaTasser_TS4-scwrl costs 93.937 real_cost = 192.141 MetaTasser_TS4 costs 93.937 real_cost = 202.406 MetaTasser_TS3-scwrl costs 98.570 real_cost = 258.168 MetaTasser_TS3 costs 98.570 real_cost = 255.691 MetaTasser_TS2-scwrl costs 92.698 real_cost = 212.496 MetaTasser_TS2 costs 92.698 real_cost = 214.812 MetaTasser_TS1-scwrl costs 88.909 real_cost = 225.332 MetaTasser_TS1 costs 88.909 real_cost = 233.396 Ma-OPUS-server_TS5-scwrl costs 77.454 real_cost = 246.029 Ma-OPUS-server_TS5 costs 77.454 real_cost = 255.354 Ma-OPUS-server_TS4-scwrl costs 86.041 real_cost = 267.503 Ma-OPUS-server_TS4 costs 86.041 real_cost = 266.194 Ma-OPUS-server_TS3-scwrl costs 100.115 real_cost = 266.453 Ma-OPUS-server_TS3 costs 100.115 real_cost = 269.033 Ma-OPUS-server_TS2-scwrl costs 90.619 real_cost = 267.812 Ma-OPUS-server_TS2 costs 90.619 real_cost = 273.690 Ma-OPUS-server_TS1-scwrl costs 64.923 real_cost = 239.691 Ma-OPUS-server_TS1 costs 64.923 real_cost = 248.275 MIG_FROST_AL1-scwrl costs 158.527 real_cost = 608.845 MIG_FROST_AL1 costs 158.496 real_cost = 584.843 LOOPP_TS5-scwrl costs 86.613 real_cost = 275.779 LOOPP_TS5 costs 86.605 real_cost = 275.586 LOOPP_TS4-scwrl costs 85.781 real_cost = 260.152 LOOPP_TS4 costs 85.784 real_cost = 265.634 LOOPP_TS3-scwrl costs 86.323 real_cost = 266.402 LOOPP_TS3 costs 86.341 real_cost = 275.814 LOOPP_TS2-scwrl costs 91.310 real_cost = 288.295 LOOPP_TS2 costs 91.321 real_cost = 292.979 LOOPP_TS1-scwrl costs 76.552 real_cost = 254.735 LOOPP_TS1 costs 76.570 real_cost = 258.926 Huber-Torda-Server_TS5-scwrl costs 94.493 real_cost = 441.272 Huber-Torda-Server_TS5 costs 94.370 real_cost = 471.500 Huber-Torda-Server_TS4-scwrl costs 103.031 real_cost = 360.476 Huber-Torda-Server_TS4 costs 103.034 real_cost = 433.238 Huber-Torda-Server_TS3-scwrl costs 95.074 real_cost = 398.061 Huber-Torda-Server_TS3 costs 95.063 real_cost = 454.321 Huber-Torda-Server_TS2-scwrl costs 98.708 real_cost = 331.793 Huber-Torda-Server_TS2 costs 98.574 real_cost = 407.533 Huber-Torda-Server_TS1-scwrl costs 92.820 real_cost = 341.510 Huber-Torda-Server_TS1 costs 92.925 real_cost = 414.857 HHpred3_TS1-scwrl costs 70.536 real_cost = 281.970 HHpred3_TS1 costs 70.536 real_cost = 286.767 HHpred2_TS1-scwrl costs 121.987 real_cost = 401.889 HHpred2_TS1 costs 121.987 real_cost = 413.460 HHpred1_TS1-scwrl costs 107.967 real_cost = 367.168 HHpred1_TS1 costs 107.967 real_cost = 372.192 GeneSilicoMetaServer_TS5-scwrl costs 106.098 real_cost = 285.136 GeneSilicoMetaServer_TS5 costs 106.098 real_cost = 287.483 GeneSilicoMetaServer_TS4-scwrl costs 96.139 real_cost = 291.617 GeneSilicoMetaServer_TS4 costs 96.139 real_cost = 295.966 GeneSilicoMetaServer_TS3-scwrl costs 101.401 real_cost = 289.894 GeneSilicoMetaServer_TS3 costs 101.401 real_cost = 290.243 GeneSilicoMetaServer_TS2-scwrl costs 94.843 real_cost = 290.478 GeneSilicoMetaServer_TS2 costs 94.843 real_cost = 297.619 GeneSilicoMetaServer_TS1-scwrl costs 85.326 real_cost = 270.743 GeneSilicoMetaServer_TS1 costs 85.326 real_cost = 270.638 Frankenstein_TS3-scwrl costs 170.314 real_cost = 357.223 Frankenstein_TS3 costs 170.314 real_cost = 357.417 FUNCTION_TS5-scwrl costs 140.573 real_cost = 350.211 FUNCTION_TS5 costs 140.573 real_cost = 350.661 FUNCTION_TS4-scwrl costs 131.932 real_cost = 350.282 FUNCTION_TS4 costs 131.932 real_cost = 350.027 FUNCTION_TS3-scwrl costs 142.772 real_cost = 335.007 FUNCTION_TS3 costs 142.772 real_cost = 337.233 FUNCTION_TS2-scwrl costs 139.181 real_cost = 355.832 FUNCTION_TS2 costs 139.181 real_cost = 354.646 FUNCTION_TS1-scwrl costs 139.145 real_cost = 349.198 FUNCTION_TS1 costs 139.145 real_cost = 351.038 FUGUE_AL5-scwrl costs 98.735 real_cost = 307.157 FUGUE_AL5 costs 98.746 real_cost = 447.660 FUGUE_AL4-scwrl costs 109.331 real_cost = 411.918 FUGUE_AL4 costs 109.333 real_cost = 454.890 FUGUE_AL3-scwrl costs 92.217 real_cost = 335.830 FUGUE_AL3 costs 92.229 real_cost = 470.867 FUGUE_AL2-scwrl costs 118.899 real_cost = 454.768 FUGUE_AL2 costs 118.899 real_cost = 454.961 FUGUE_AL1-scwrl costs 101.142 real_cost = 320.003 FUGUE_AL1 costs 101.142 real_cost = 462.938 FUGMOD_TS5-scwrl costs 93.144 real_cost = 293.791 FUGMOD_TS5 costs 93.144 real_cost = 294.812 FUGMOD_TS4-scwrl costs 106.439 real_cost = 412.293 FUGMOD_TS4 costs 106.441 real_cost = 412.813 FUGMOD_TS3-scwrl costs 91.959 real_cost = 305.654 FUGMOD_TS3 costs 91.959 real_cost = 309.924 FUGMOD_TS2-scwrl costs 121.010 real_cost = 304.216 FUGMOD_TS2 costs 121.010 real_cost = 304.332 FUGMOD_TS1-scwrl costs 96.268 real_cost = 307.046 FUGMOD_TS1 costs 96.268 real_cost = 309.087 FPSOLVER-SERVER_TS5-scwrl costs 126.900 real_cost = 333.528 FPSOLVER-SERVER_TS5 costs 126.900 real_cost = 334.019 FPSOLVER-SERVER_TS4-scwrl costs 103.023 real_cost = 303.396 FPSOLVER-SERVER_TS4 costs 103.023 real_cost = 303.339 FPSOLVER-SERVER_TS3-scwrl costs 107.793 real_cost = 290.267 FPSOLVER-SERVER_TS3 costs 107.793 real_cost = 291.576 FPSOLVER-SERVER_TS2-scwrl costs 99.789 real_cost = 278.006 FPSOLVER-SERVER_TS2 costs 99.789 real_cost = 279.408 FPSOLVER-SERVER_TS1-scwrl costs 95.684 real_cost = 296.016 FPSOLVER-SERVER_TS1 costs 95.684 real_cost = 296.332 FORTE2_AL5-scwrl costs 104.819 real_cost = 291.148 FORTE2_AL5 costs 104.837 real_cost = 430.523 FORTE2_AL4-scwrl costs 93.139 real_cost = 331.784 FORTE2_AL4 costs 93.195 real_cost = 435.596 FORTE2_AL3-scwrl costs 100.344 real_cost = 411.555 FORTE2_AL3 costs 100.357 real_cost = 505.025 FORTE2_AL2-scwrl costs 94.337 real_cost = 354.554 FORTE2_AL2 costs 94.327 real_cost = 460.742 FORTE2_AL1-scwrl costs 103.172 real_cost = 404.756 FORTE2_AL1 costs 103.258 real_cost = 497.440 FORTE1_AL5-scwrl costs 100.344 real_cost = 411.555 FORTE1_AL5 costs 100.357 real_cost = 505.025 FORTE1_AL4-scwrl costs 82.456 real_cost = 270.519 FORTE1_AL4 costs 82.467 real_cost = 394.467 FORTE1_AL3-scwrl costs 94.337 real_cost = 354.554 FORTE1_AL3 costs 94.327 real_cost = 460.742 FORTE1_AL2-scwrl costs 103.172 real_cost = 404.756 FORTE1_AL2 costs 103.258 real_cost = 497.440 FORTE1_AL1-scwrl costs 115.256 real_cost = 340.081 FORTE1_AL1 costs 115.256 real_cost = 487.846 FOLDpro_TS5-scwrl costs 124.675 real_cost = 334.038 FOLDpro_TS5 costs 124.675 real_cost = 339.049 FOLDpro_TS4-scwrl costs 122.664 real_cost = 313.677 FOLDpro_TS4 costs 122.664 real_cost = 314.544 FOLDpro_TS3-scwrl costs 110.755 real_cost = 292.181 FOLDpro_TS3 costs 110.755 real_cost = 301.835 FOLDpro_TS2-scwrl costs 110.850 real_cost = 299.133 FOLDpro_TS2 costs 110.850 real_cost = 303.327 FOLDpro_TS1-scwrl costs 114.790 real_cost = 302.018 FOLDpro_TS1 costs 114.790 real_cost = 300.844 FAMS_TS5-scwrl costs 80.869 real_cost = 253.506 FAMS_TS5 costs 80.869 real_cost = 260.351 FAMS_TS4-scwrl costs 73.042 real_cost = 249.083 FAMS_TS4 costs 73.042 real_cost = 257.686 FAMS_TS3-scwrl costs 109.884 real_cost = 444.355 FAMS_TS3 costs 109.798 real_cost = 446.730 FAMS_TS2-scwrl costs 99.590 real_cost = 259.279 FAMS_TS2 costs 99.590 real_cost = 261.868 FAMS_TS1-scwrl costs 73.712 real_cost = 250.960 FAMS_TS1 costs 73.712 real_cost = 253.388 FAMSD_TS5-scwrl costs 83.460 real_cost = 304.804 FAMSD_TS5 costs 83.464 real_cost = 300.698 FAMSD_TS4-scwrl costs 88.341 real_cost = 264.167 FAMSD_TS4 costs 88.341 real_cost = 265.804 FAMSD_TS3-scwrl costs 99.590 real_cost = 259.279 FAMSD_TS3 costs 99.590 real_cost = 261.868 FAMSD_TS2-scwrl costs 83.426 real_cost = 267.055 FAMSD_TS2 costs 83.426 real_cost = 263.856 FAMSD_TS1-scwrl costs 107.425 real_cost = 269.576 FAMSD_TS1 costs 107.425 real_cost = 269.447 Distill_TS5-scwrl costs 235.462 real_cost = 493.782 Distill_TS4-scwrl costs 236.316 real_cost = 483.672 Distill_TS3-scwrl costs 239.369 real_cost = 491.302 Distill_TS2-scwrl costs 236.977 real_cost = 488.615 Distill_TS1-scwrl costs 240.776 real_cost = 487.873 CaspIta-FOX_TS5-scwrl costs 90.595 real_cost = 285.102 CaspIta-FOX_TS5 costs 90.639 real_cost = 281.975 CaspIta-FOX_TS4-scwrl costs 81.046 real_cost = 293.424 CaspIta-FOX_TS4 costs 81.054 real_cost = 291.274 CaspIta-FOX_TS3-scwrl costs 92.668 real_cost = 306.635 CaspIta-FOX_TS3 costs 92.689 real_cost = 304.487 CaspIta-FOX_TS2-scwrl costs 80.717 real_cost = 310.626 CaspIta-FOX_TS2 costs 80.709 real_cost = 313.405 CaspIta-FOX_TS1-scwrl costs 92.435 real_cost = 281.853 CaspIta-FOX_TS1 costs 92.435 real_cost = 280.571 CIRCLE_TS5-scwrl costs 86.003 real_cost = 253.546 CIRCLE_TS5 costs 86.003 real_cost = 257.758 CIRCLE_TS4-scwrl costs 73.712 real_cost = 250.960 CIRCLE_TS4 costs 73.712 real_cost = 253.388 CIRCLE_TS3-scwrl costs 80.869 real_cost = 253.506 CIRCLE_TS3 costs 80.869 real_cost = 260.351 CIRCLE_TS2-scwrl costs 65.116 real_cost = 244.365 CIRCLE_TS2 costs 65.116 real_cost = 234.430 CIRCLE_TS1-scwrl costs 73.042 real_cost = 249.083 CIRCLE_TS1 costs 73.042 real_cost = 257.686 Bilab-ENABLE_TS5-scwrl costs 91.167 real_cost = 281.883 Bilab-ENABLE_TS5 costs 91.167 real_cost = 282.034 Bilab-ENABLE_TS4-scwrl costs 91.090 real_cost = 285.821 Bilab-ENABLE_TS4 costs 91.090 real_cost = 285.963 Bilab-ENABLE_TS3-scwrl costs 92.213 real_cost = 282.007 Bilab-ENABLE_TS3 costs 92.213 real_cost = 282.162 Bilab-ENABLE_TS2-scwrl costs 92.229 real_cost = 284.636 Bilab-ENABLE_TS2 costs 92.229 real_cost = 284.789 Bilab-ENABLE_TS1-scwrl costs 91.709 real_cost = 278.730 Bilab-ENABLE_TS1 costs 91.709 real_cost = 278.876 BayesHH_TS1-scwrl costs 101.969 real_cost = 293.136 BayesHH_TS1 costs 101.969 real_cost = 294.881 ABIpro_TS5-scwrl costs 77.952 real_cost = 212.594 ABIpro_TS5 costs 77.952 real_cost = 213.336 ABIpro_TS4-scwrl costs 74.679 real_cost = 254.999 ABIpro_TS4 costs 74.679 real_cost = 254.999 ABIpro_TS3-scwrl costs 82.442 real_cost = 239.917 ABIpro_TS3 costs 82.442 real_cost = 240.679 ABIpro_TS2-scwrl costs 75.076 real_cost = 254.871 ABIpro_TS2 costs 75.076 real_cost = 254.880 ABIpro_TS1-scwrl costs 72.242 real_cost = 213.395 ABIpro_TS1 costs 72.242 real_cost = 213.392 3Dpro_TS5-scwrl costs 72.242 real_cost = 213.395 3Dpro_TS5 costs 72.242 real_cost = 213.392 3Dpro_TS4-scwrl costs 131.501 real_cost = 341.103 3Dpro_TS4 costs 131.501 real_cost = 341.973 3Dpro_TS3-scwrl costs 118.820 real_cost = 296.842 3Dpro_TS3 costs 118.820 real_cost = 304.399 3Dpro_TS2-scwrl costs 111.621 real_cost = 274.794 3Dpro_TS2 costs 111.621 real_cost = 278.349 3Dpro_TS1-scwrl costs 105.384 real_cost = 290.104 3Dpro_TS1 costs 105.384 real_cost = 289.634 3D-JIGSAW_TS5-scwrl costs 83.412 real_cost = 325.806 3D-JIGSAW_TS5 costs 83.419 real_cost = 323.882 3D-JIGSAW_TS4-scwrl costs 98.519 real_cost = 280.457 3D-JIGSAW_TS4 costs 98.530 real_cost = 291.061 3D-JIGSAW_TS3-scwrl costs 115.992 real_cost = 305.388 3D-JIGSAW_TS3 costs 115.988 real_cost = 307.370 3D-JIGSAW_TS2-scwrl costs 109.614 real_cost = 307.032 3D-JIGSAW_TS2 costs 109.634 real_cost = 295.198 3D-JIGSAW_TS1-scwrl costs 103.961 real_cost = 277.931 3D-JIGSAW_TS1 costs 103.927 real_cost = 283.107 3D-JIGSAW_RECOM_TS5-scwrl costs 83.412 real_cost = 335.823 3D-JIGSAW_RECOM_TS5 costs 83.419 real_cost = 333.904 3D-JIGSAW_RECOM_TS4-scwrl costs 83.412 real_cost = 325.673 3D-JIGSAW_RECOM_TS4 costs 83.419 real_cost = 323.742 3D-JIGSAW_RECOM_TS3-scwrl costs 98.702 real_cost = 280.536 3D-JIGSAW_RECOM_TS3 costs 98.714 real_cost = 281.435 3D-JIGSAW_RECOM_TS2-scwrl costs 80.820 real_cost = 325.202 3D-JIGSAW_RECOM_TS2 costs 80.827 real_cost = 323.296 3D-JIGSAW_RECOM_TS1-scwrl costs 94.778 real_cost = 278.274 3D-JIGSAW_RECOM_TS1 costs 94.778 real_cost = 286.963 3D-JIGSAW_POPULUS_TS5-scwrl costs 78.864 real_cost = 288.026 3D-JIGSAW_POPULUS_TS5 costs 78.826 real_cost = 420.513 3D-JIGSAW_POPULUS_TS4-scwrl costs 77.209 real_cost = 290.064 3D-JIGSAW_POPULUS_TS4 costs 77.172 real_cost = 288.264 3D-JIGSAW_POPULUS_TS3-scwrl costs 82.122 real_cost = 268.172 3D-JIGSAW_POPULUS_TS3 costs 82.122 real_cost = 268.172 3D-JIGSAW_POPULUS_TS2-scwrl costs 90.446 real_cost = 301.904 3D-JIGSAW_POPULUS_TS2 costs 90.409 real_cost = 300.104 3D-JIGSAW_POPULUS_TS1-scwrl costs 77.528 real_cost = 279.667 3D-JIGSAW_POPULUS_TS1 costs 77.490 real_cost = 277.867 T0299.try9-opt2.repack-nonPC.pdb.gz costs 111.750 real_cost = 300.754 T0299.try9-opt2.pdb.gz costs 111.750 real_cost = 300.618 T0299.try9-opt2.gromacs0.pdb.gz costs 104.574 real_cost = 303.724 T0299.try9-opt1.pdb.gz costs 107.953 real_cost = 302.607 T0299.try9-opt1-scwrl.pdb.gz costs 107.953 real_cost = 303.240 T0299.try8-opt2.repack-nonPC.pdb.gz costs 93.254 real_cost = 258.993 T0299.try8-opt2.pdb.gz costs 93.254 real_cost = 256.187 T0299.try8-opt2.gromacs0.pdb.gz costs 79.646 real_cost = 256.144 T0299.try8-opt1.pdb.gz costs 81.701 real_cost = 258.745 T0299.try8-opt1-scwrl.pdb.gz costs 81.701 real_cost = 257.134 T0299.try7-opt2.repack-nonPC.pdb.gz costs 79.591 real_cost = 239.050 T0299.try7-opt2.pdb.gz costs 79.591 real_cost = 242.250 T0299.try7-opt2.gromacs0.pdb.gz costs 65.027 real_cost = 240.619 T0299.try7-opt1.pdb.gz costs 75.109 real_cost = 239.430 T0299.try7-opt1-scwrl.pdb.gz costs 75.109 real_cost = 237.525 T0299.try6-opt2.repack-nonPC.pdb.gz costs 108.072 real_cost = 299.997 T0299.try6-opt2.pdb.gz costs 108.072 real_cost = 298.446 T0299.try6-opt2.gromacs0.pdb.gz costs 104.469 real_cost = 297.882 T0299.try6-opt1.pdb.gz costs 107.706 real_cost = 298.758 T0299.try6-opt1-scwrl.pdb.gz costs 107.706 real_cost = 299.323 T0299.try5-opt2.repack-nonPC.pdb.gz costs 85.069 real_cost = 256.461 T0299.try5-opt2.pdb.gz costs 85.069 real_cost = 257.185 T0299.try5-opt2.gromacs0.pdb.gz costs 68.245 real_cost = 257.298 T0299.try5-opt1.pdb.gz costs 81.718 real_cost = 261.730 T0299.try5-opt1-scwrl.pdb.gz costs 81.718 real_cost = 260.595 T0299.try4-opt2.repack-nonPC.pdb.gz costs 107.806 real_cost = 298.298 T0299.try4-opt2.pdb.gz costs 107.806 real_cost = 299.170 T0299.try4-opt2.gromacs0.pdb.gz costs 105.035 real_cost = 299.520 T0299.try4-opt1.pdb.gz costs 104.840 real_cost = 300.140 T0299.try4-opt1-scwrl.pdb.gz costs 104.840 real_cost = 301.576 T0299.try3-opt2.repack-nonPC.pdb.gz costs 118.312 real_cost = 300.736 T0299.try3-opt2.pdb.gz costs 118.312 real_cost = 301.169 T0299.try3-opt2.gromacs0.pdb.gz costs 110.087 real_cost = 303.245 T0299.try3-opt1.pdb.gz costs 110.186 real_cost = 301.939 T0299.try3-opt1-scwrl.pdb.gz costs 110.186 real_cost = 301.715 T0299.try24-opt2.repack-nonPC.pdb.gz costs 73.370 real_cost = 238.978 T0299.try24-opt2.pdb.gz costs 73.370 real_cost = 240.084 T0299.try24-opt2.gromacs0.pdb.gz costs 64.910 real_cost = 238.490 T0299.try24-opt1.pdb.gz costs 73.782 real_cost = 242.559 T0299.try24-opt1-scwrl.pdb.gz costs 73.782 real_cost = 238.989 T0299.try23-opt2.repack-nonPC.pdb.gz costs 86.756 real_cost = 251.111 T0299.try23-opt2.pdb.gz costs 86.756 real_cost = 251.425 T0299.try23-opt2.gromacs0.pdb.gz costs 80.517 real_cost = 250.908 T0299.try23-opt1.pdb.gz costs 84.713 real_cost = 249.071 T0299.try23-opt1-scwrl.pdb.gz costs 84.713 real_cost = 251.071 T0299.try22-opt2.repack-nonPC.pdb.gz costs 109.458 real_cost = 279.570 T0299.try22-opt2.pdb.gz costs 109.458 real_cost = 278.176 T0299.try22-opt2.gromacs0.pdb.gz costs 100.138 real_cost = 280.344 T0299.try22-opt1.pdb.gz costs 109.825 real_cost = 280.545 T0299.try22-opt1-scwrl.pdb.gz costs 109.825 real_cost = 279.928 T0299.try21-opt2.repack-nonPC.pdb.gz costs 107.068 real_cost = 292.134 T0299.try21-opt2.pdb.gz costs 107.068 real_cost = 294.178 T0299.try21-opt2.gromacs0.pdb.gz costs 99.978 real_cost = 293.221 T0299.try21-opt1.pdb.gz costs 107.271 real_cost = 294.227 T0299.try21-opt1-scwrl.pdb.gz costs 107.271 real_cost = 293.228 T0299.try20-opt2.repack-nonPC.pdb.gz costs 120.902 real_cost = 283.028 T0299.try20-opt2.pdb.gz costs 120.902 real_cost = 280.764 T0299.try20-opt2.gromacs0.pdb.gz costs 100.696 real_cost = 279.541 T0299.try20-opt1.pdb.gz costs 111.384 real_cost = 282.802 T0299.try20-opt1-scwrl.pdb.gz costs 111.384 real_cost = 282.199 T0299.try2-opt2.repack-nonPC.pdb.gz costs 120.809 real_cost = 274.686 T0299.try2-opt2.pdb.gz costs 120.809 real_cost = 274.795 T0299.try2-opt2.gromacs0.pdb.gz costs 111.506 real_cost = 272.475 T0299.try2-opt1.pdb.gz costs 118.576 real_cost = 276.033 T0299.try2-opt1-scwrl.pdb.gz costs 118.576 real_cost = 274.812 T0299.try19-opt2.repack-nonPC.pdb.gz costs 116.380 real_cost = 291.636 T0299.try19-opt2.pdb.gz costs 116.380 real_cost = 293.652 T0299.try19-opt2.gromacs0.pdb.gz costs 96.526 real_cost = 294.381 T0299.try19-opt1.pdb.gz costs 107.655 real_cost = 293.033 T0299.try19-opt1-scwrl.pdb.gz costs 107.655 real_cost = 292.086 T0299.try18-opt2.repack-nonPC.pdb.gz costs 89.647 real_cost = 282.386 T0299.try18-opt2.pdb.gz costs 89.647 real_cost = 284.711 T0299.try18-opt2.gromacs0.pdb.gz costs 83.427 real_cost = 280.738 T0299.try18-opt1.pdb.gz costs 87.661 real_cost = 286.576 T0299.try18-opt1-scwrl.pdb.gz costs 87.661 real_cost = 285.479 T0299.try17-opt2.repack-nonPC.pdb.gz costs 103.003 real_cost = 281.321 T0299.try17-opt2.pdb.gz costs 103.003 real_cost = 281.367 T0299.try17-opt2.gromacs0.pdb.gz costs 91.702 real_cost = 280.478 T0299.try17-opt1.pdb.gz costs 97.653 real_cost = 285.233 T0299.try17-opt1-scwrl.pdb.gz costs 97.653 real_cost = 285.526 T0299.try16-opt2.repack-nonPC.pdb.gz costs 126.685 real_cost = 291.096 T0299.try16-opt2.pdb.gz costs 126.685 real_cost = 291.824 T0299.try16-opt2.gromacs0.pdb.gz costs 109.826 real_cost = 288.851 T0299.try16-opt1.pdb.gz costs 121.455 real_cost = 294.892 T0299.try16-opt1-scwrl.pdb.gz costs 121.455 real_cost = 292.171 T0299.try15-opt2.repack-nonPC.pdb.gz costs 96.869 real_cost = 257.707 T0299.try15-opt2.pdb.gz costs 96.869 real_cost = 256.370 T0299.try15-opt2.gromacs0.pdb.gz costs 89.531 real_cost = 254.324 T0299.try15-opt1.pdb.gz costs 93.576 real_cost = 256.369 T0299.try15-opt1-scwrl.pdb.gz costs 93.576 real_cost = 258.099 T0299.try14-opt2.repack-nonPC.pdb.gz costs 84.710 real_cost = 250.090 T0299.try14-opt2.pdb.gz costs 84.710 real_cost = 249.822 T0299.try14-opt2.gromacs0.pdb.gz costs 80.339 real_cost = 252.626 T0299.try14-opt1.pdb.gz costs 83.396 real_cost = 249.755 T0299.try14-opt1-scwrl.pdb.gz costs 83.396 real_cost = 250.109 T0299.try13-opt2.repack-nonPC.pdb.gz costs 89.271 real_cost = 280.504 T0299.try13-opt2.pdb.gz costs 89.271 real_cost = 283.647 T0299.try13-opt2.gromacs0.pdb.gz costs 85.389 real_cost = 286.388 T0299.try13-opt1.pdb.gz costs 89.166 real_cost = 283.129 T0299.try13-opt1-scwrl.pdb.gz costs 89.166 real_cost = 282.014 T0299.try12-opt2.repack-nonPC.pdb.gz costs 90.745 real_cost = 244.052 T0299.try12-opt2.pdb.gz costs 90.745 real_cost = 244.508 T0299.try12-opt2.gromacs0.pdb.gz costs 87.451 real_cost = 245.222 T0299.try12-opt1.pdb.gz costs 90.371 real_cost = 246.920 T0299.try12-opt1-scwrl.pdb.gz costs 90.371 real_cost = 245.793 T0299.try11-opt2.repack-nonPC.pdb.gz costs 78.390 real_cost = 270.866 T0299.try11-opt2.pdb.gz costs 78.390 real_cost = 270.091 T0299.try11-opt2.gromacs0.pdb.gz costs 74.193 real_cost = 271.283 T0299.try11-opt1.pdb.gz costs 74.564 real_cost = 272.900 T0299.try11-opt1-scwrl.pdb.gz costs 74.564 real_cost = 273.295 T0299.try10-opt2.repack-nonPC.pdb.gz costs 98.796 real_cost = 262.843 T0299.try10-opt2.pdb.gz costs 98.796 real_cost = 262.693 T0299.try10-opt2.gromacs0.pdb.gz costs 88.258 real_cost = 265.202 T0299.try10-opt1.pdb.gz costs 93.389 real_cost = 264.730 T0299.try10-opt1-scwrl.pdb.gz costs 93.389 real_cost = 267.640 T0299.try1-opt2.repack-nonPC.pdb.gz costs 132.932 real_cost = 279.985 T0299.try1-opt2.pdb.gz costs 132.932 real_cost = 277.642 T0299.try1-opt2.gromacs0.pdb.gz costs 121.680 real_cost = 283.600 T0299.try1-opt1.pdb.gz costs 126.320 real_cost = 274.882 T0299.try1-opt1-scwrl.pdb.gz costs 126.320 real_cost = 275.370 ../model5.ts-submitted costs 108.072 real_cost = 298.464 ../model4.ts-submitted costs 107.068 real_cost = 294.111 ../model3.ts-submitted costs 85.455 real_cost = 251.095 ../model2.ts-submitted costs 109.458 real_cost = 278.143 ../model1.ts-submitted costs 73.370 real_cost = 240.085 align5 costs 95.876 real_cost = 416.486 align4 costs 100.005 real_cost = 425.061 align3 costs 82.694 real_cost = 331.277 align2 costs 87.290 real_cost = 379.475 align1 costs 76.279 real_cost = 355.727 T0299.try1-opt2.pdb costs 132.932 real_cost = 277.643 model5-scwrl costs 108.072 real_cost = 298.957 model5.ts-submitted costs 108.072 real_cost = 298.464 model4-scwrl costs 107.068 real_cost = 292.903 model4.ts-submitted costs 107.068 real_cost = 294.111 model3-scwrl costs 85.455 real_cost = 252.412 model3.ts-submitted costs 85.455 real_cost = 251.095 model2-scwrl costs 109.458 real_cost = 274.032 model2.ts-submitted costs 109.458 real_cost = 278.143 model1-scwrl costs 73.299 real_cost = 238.599 model1.ts-submitted costs 73.370 real_cost = 240.085 2hiyA costs 46.117 real_cost = -891.202 # command:CPU_time= 842.428 sec, elapsed time= 1350.513 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/T0299'